*HEADER    TRANSCRIPTION                           07-MAR-19   6O7G              
*TITLE     SOLUTION STRUCTURE OF MLL4 PHD6 DOMAIN IN COMPLEX WITH HISTONE H4K16AC
*TITLE    2 PEPTIDE                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE 2D;                     
*COMPND   3 CHAIN: B;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1503-1562;                                        
*COMPND   5 SYNONYM: LYSINE N-METHYLTRANSFERASE 2D,ALL1-RELATED PROTEIN,         
*COMPND   6 MYELOID/LYMPHOID OR MIXED-LINEAGE LEUKEMIA PROTEIN 2;                
*COMPND   7 EC: 2.1.1.43;                                                        
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: HISTONE H4;                                                
*COMPND  11 CHAIN: A;                                                            
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: KMT2D, ALR, MLL2, MLL4;                                        
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 SYNTHETIC: YES;                                                      
*SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  12 ORGANISM_TAXID: 9606                                                 
*KEYWDS    MLL4, PHD FINGER, H4K16AC, MOF, ACETYLATION, HISTONE, CHROMATIN,      
*KEYWDS   2 TRANSCRIPTION                                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    15                                                                    
*AUTHOR    Y.ZHANG,T.G.KUTATELADZE                                               
*REVDAT   2   15-NOV-23 6O7G    1                                                
*REVDAT   1   22-MAY-19 6O7G    0                                                
# Restraints file 1: prmcrd_1
default_name
  1002
  50.7640000   8.7640000 -17.9330000  49.8838736   8.5089752 -18.3577814
  51.0010000   8.3790000 -16.5120000  51.8710000   7.7420000 -16.4540000
  51.2380000   9.6400000 -15.6800000  51.4990000  10.4590000 -16.3280000
  50.3340000   9.8870000 -15.1380000  52.3030000   9.4070000 -14.7680000
  53.0900000   9.2020000 -15.2780000  49.7850000   7.6230000 -15.9830000
  49.1370000   8.0600000 -15.0310000  49.4790000   6.4900000 -16.6070000
  50.0220000   6.1970000 -17.3580000  48.3410000   5.6820000 -16.2000000
  48.4010000   4.7180000 -16.6820000  48.3580000   5.4830000 -14.6870000
  49.1020000   6.1270000 -14.2500000  47.3910000   5.7360000 -14.2880000
  48.6780000   4.0220000 -14.3580000  47.9250000   3.3850000 -14.7960000
  50.0490000   3.6540000 -14.9260000  50.0150000   3.6930000 -16.0040000
  50.3120000   2.6540000 -14.6110000  50.7890000   4.3520000 -14.5630000
  48.6900000   3.8260000 -12.8380000  49.2980000   4.5920000 -12.3800000
  49.1010000   2.8550000 -12.6040000  47.6820000   3.8900000 -12.4580000
  47.0430000   6.3620000 -16.6030000  46.2260000   5.7850000 -17.3210000
  46.8570000   7.5910000 -16.1370000  47.5420000   8.0040000 -15.5720000
  45.6520000   8.3330000 -16.4620000  45.1630000   7.8560000 -17.2960000
  44.6920000   8.3300000 -15.2670000  44.7130000   9.2960000 -14.7840000
  43.2780000   8.0400000 -15.7670000  43.2970000   7.1600000 -16.3950000
  42.9160000   8.8810000 -16.3370000  42.6250000   7.8660000 -14.9240000
  45.1040000   7.2440000 -14.2660000  44.5370000   7.3580000 -13.3550000
  46.1580000   7.3370000 -14.0480000  44.9110000   6.2700000 -14.6910000
  46.0020000   9.7650000 -16.8580000  46.4060000  10.5710000 -16.0190000
  45.8380000  10.0710000 -18.1400000  45.5080000   9.3890000 -18.7520000
  46.1330000  11.4030000 -18.6490000  46.8960000  11.8550000 -18.0320000
  46.6410000  11.3300000 -20.0910000  45.9110000  10.8300000 -20.7080000
  46.8620000  12.7490000 -20.6200000  46.1020000  12.9840000 -21.3490000
  47.8360000  12.8130000 -21.0810000  46.8040000  13.4510000 -19.8010000
  47.8650000  10.6090000 -20.1260000  47.6780000   9.7210000 -20.4390000
  44.8830000  12.2620000 -18.5950000  44.8210000  13.3320000 -19.2010000
  43.8920000  11.7760000 -17.8580000  44.0160000  10.9160000 -17.4010000
  42.6310000  12.4950000 -17.7050000  41.8130000  11.7890000 -17.7050000
  42.6380000  13.2350000 -16.3690000  42.1030000  14.1660000 -16.4660000
  43.6550000  13.4330000 -16.0680000  41.8370000  12.2110000 -15.1230000
  42.4220000  13.4880000 -18.8400000  42.2080000  14.6720000 -18.6070000
  42.4730000  13.0290000 -20.0570000  42.7050000  11.6310000 -20.4340000
  42.1150000  10.9640000 -19.8200000  43.7550000  11.3930000 -20.3620000
  42.2370000  11.5820000 -21.8850000  41.1860000  11.3260000 -21.9330000
  42.8210000  10.8600000 -22.4330000  42.4520000  12.9510000 -22.4390000
  41.7180000  13.1710000 -23.2010000  43.4490000  13.0310000 -22.8440000
  42.2830000  13.9040000 -21.2490000  43.0490000  14.6610000 -21.2820000
  40.9020000  14.5520000 -21.2630000  40.7390000  15.6780000 -21.7350000
  39.9110000  13.8360000 -20.7400000  40.0990000  12.9420000 -20.3730000
  38.5500000  14.3560000 -20.6970000  38.2820000  14.7020000 -21.6850000
  37.5800000  13.2460000 -20.2930000  38.0260000  12.6480000 -19.5110000
  36.2770000  13.8620000 -19.7800000  36.5010000  14.6070000 -19.0310000
  35.6620000  13.0870000 -19.3440000  35.7490000  14.3230000 -20.6020000
  37.2990000  12.3630000 -21.5160000  37.2040000  12.9870000 -22.3930000
  38.1180000  11.6730000 -21.6560000  36.0030000  11.5720000 -21.3120000
  35.1990000  12.2540000 -21.0770000  36.1310000  10.8730000 -20.5010000
  35.7640000  11.0330000 -22.2170000  38.4420000  15.5290000 -19.7260000
  37.8360000  16.5530000 -20.0420000  39.0310000  15.3730000 -18.5450000
  39.5000000  14.5360000 -18.3460000  38.9900000  16.4300000 -17.5400000
  38.0350000  16.9320000 -17.6020000  39.1390000  15.8310000 -16.1380000
  38.4740000  16.3400000 -15.4560000  40.1560000  15.9470000 -15.7970000
  38.7160000  14.0740000 -16.1870000  40.1000000  17.4490000 -17.7790000
  39.9360000  18.6310000 -17.4750000  41.2250000  16.9750000 -18.3200000
  41.2810000  16.0250000 -18.5400000  42.3770000  17.8360000 -18.5960000
  42.3140000  18.1960000 -19.6110000  42.3960000  19.0310000 -17.6400000
  41.7960000  18.8070000 -16.7750000  43.4120000  19.2220000 -17.3270000
  41.8540000  20.2520000 -18.3360000  42.5840000  21.4270000 -18.4270000
  41.8380000  22.3200000 -19.1030000  42.1530000  23.3280000 -19.3240000
  40.6600000  21.8070000 -19.4650000  39.9440000  22.2540000 -19.9630000
  40.6650000  20.5000000 -18.9820000  39.8570000  19.7920000 -19.0950000
  43.6730000  17.0510000 -18.4350000  44.6540000  17.3220000 -19.1230000
  43.6530000  16.0710000 -17.5190000  42.8300000  15.9100000 -17.0170000
  44.8070000  15.2220000 -17.2410000  44.5380000  14.1980000 -17.4330000
  45.9870000  15.5860000 -18.1430000  45.6840000  15.4990000 -19.1760000
  46.8080000  14.9160000 -17.9520000  46.2990000  16.5970000 -17.9470000
  45.2260000  15.3540000 -15.7800000  45.4580000  14.3550000 -15.0970000
  45.3520000  16.5610000 -15.3100000  45.1090000  17.8030000 -16.0530000
  44.0780000  18.0990000 -15.9870000  45.4220000  17.7000000 -17.0780000
  45.9970000  18.7590000 -15.2860000  45.7270000  19.7850000 -15.4670000
  47.0310000  18.5750000 -15.5460000  45.7650000  18.3850000 -13.8650000
  44.7990000  18.7390000 -13.5290000  46.5560000  18.7640000 -13.2410000
  45.7860000  16.8570000 -13.9040000  46.7930000  16.5230000 -13.7630000
  44.9010000  16.2330000 -12.8220000  43.6710000  16.2100000 -12.9150000
  45.5820000  15.7190000 -11.7950000  46.5610000  15.7780000 -11.8110000
  44.9470000  15.0700000 -10.6670000  44.0650000  14.5460000 -11.0040000
  45.9220000  14.0560000 -10.0720000  46.8860000  14.5300000  -9.9390000
  45.5570000  13.7120000  -9.1170000  46.0660000  12.8790000 -11.0170000
  45.3220000  12.8210000 -12.2110000  44.6630000  13.6330000 -12.4770000
  45.4420000  11.7140000 -13.0600000  44.8710000  11.6700000 -13.9760000
  46.3020000  10.6620000 -12.7230000  46.4140000   9.5680000 -13.5580000
  47.3410000   9.3250000 -13.6070000  47.0440000  10.7200000 -11.5380000
  47.7040000   9.9060000 -11.2750000  46.9230000  11.8260000 -10.6840000
  47.5000000  11.8670000  -9.7740000  44.5450000  16.0910000  -9.6160000
  45.3080000  16.9940000  -9.2750000  43.3330000  15.9350000  -9.1170000
  42.7740000  15.1980000  -9.4340000  42.8070000  16.8400000  -8.1160000
  43.3770000  17.7570000  -8.1350000  41.3400000  17.1540000  -8.4290000
  40.7020000  16.5450000  -7.8090000  41.0640000  18.6290000  -8.1500000
  41.5580000  19.2370000  -8.8940000  41.4370000  18.8850000  -7.1700000
  40.0000000  18.8100000  -8.1870000  41.0480000  16.8580000  -9.9100000
  41.3040000  15.8330000 -10.1310000  41.6360000  17.5180000 -10.5330000
  39.9980000  17.0180000 -10.1100000  42.9200000  16.2120000  -6.7360000
  42.2820000  15.2010000  -6.4490000  43.7440000  16.8200000  -5.8920000
  44.2250000  17.6230000  -6.1840000  43.9450000  16.3200000  -4.5420000
  44.9710000  16.4820000  -4.2570000  43.0360000  17.0760000  -3.5740000
  42.0180000  17.0380000  -3.9330000  43.0920000  16.6220000  -2.5970000
  43.4930000  18.5340000  -3.4860000  44.4920000  18.5710000  -3.0770000
  43.4940000  18.9690000  -4.4740000  42.5480000  19.3230000  -2.5880000
  42.7520000  20.5180000  -2.4500000  41.6330000  18.7210000  -2.0500000
  43.6400000  14.8250000  -4.4720000  42.9230000  14.3710000  -3.5820000
  44.1860000  14.0680000  -5.4200000  44.7470000  14.4860000  -6.1060000
  43.9610000  12.6280000  -5.4540000  43.9800000  12.2930000  -6.4810000
  45.0630000  11.9040000  -4.6770000  46.0270000  12.1880000  -5.0740000
  45.0070000  12.1790000  -3.6340000  44.8770000  10.3930000  -4.8140000
  45.5210000   9.8870000  -4.1100000  43.8480000  10.1380000  -4.6070000
  45.2280000   9.9520000  -6.2310000  45.7180000  10.7780000  -6.9830000
  45.0030000   8.7940000  -6.5440000  42.6030000  12.2900000  -4.8470000
  42.5170000  11.5630000  -3.8580000  41.5450000  12.8240000  -5.4470000
  41.6750000  13.3960000  -6.2320000  40.1940000  12.5770000  -4.9570000
  40.1870000  12.6820000  -3.8820000  39.2300000  13.6000000  -5.5620000
  39.3880000  13.6520000  -6.6290000  38.2130000  13.2990000  -5.3660000
  39.4770000  14.9740000  -4.9490000  38.9890000  15.9450000  -5.5040000
  40.1490000  15.0350000  -3.9330000  39.7470000  11.1630000  -5.3230000
  40.3750000  10.5000000  -6.1480000  38.6610000  10.7020000  -4.7050000
  38.1990000  11.2670000  -4.0520000  38.1540000   9.3640000  -4.9770000
  38.7620000   8.6420000  -4.4570000  36.7110000   9.2500000  -4.4780000
  36.7060000   9.2340000  -3.3970000  36.1420000  10.0980000  -4.8270000
  36.0800000   7.9630000  -5.0090000  36.6880000   7.5630000  -5.8060000
  35.9830000   6.9370000  -3.8810000  36.9760000   6.6680000  -3.5530000
  35.4700000   6.0570000  -4.2390000  35.4340000   7.3630000  -3.0540000
  34.6790000   8.2690000  -5.5380000  34.7520000   8.9400000  -6.3800000
  34.0940000   8.7320000  -4.7570000  34.2020000   7.3510000  -5.8490000
  38.1980000   9.0680000  -6.4720000  37.6420000   9.8120000  -7.2800000
  38.8660000   7.9740000  -6.8340000  39.2920000   7.4180000  -6.1430000
  38.9780000   7.5870000  -8.2370000  38.5400000   8.3640000  -8.8500000
  40.4540000   7.4260000  -8.6130000  40.9640000   6.9020000  -7.8210000
  40.5320000   6.8570000  -9.5270000  41.1030000   8.7990000  -8.8120000
  40.3370000   9.5510000  -8.8950000  42.0020000   9.1280000  -7.6190000
  41.6090000   8.6580000  -6.7300000  42.0340000  10.1970000  -7.4760000
  43.0010000   8.7610000  -7.8100000  41.9410000   8.7780000 -10.0890000
  41.2920000   8.6530000 -10.9430000  42.6420000   7.9570000 -10.0460000
  42.4820000   9.7090000 -10.1810000  38.2420000   6.2690000  -8.4900000
  38.2390000   5.3830000  -7.6360000  37.6130000   6.1440000  -9.6610000
  37.6380000   6.8840000 -10.3110000  36.8760000   4.9200000  -9.9900000
  37.1130000   4.1580000  -9.2630000  35.3780000   5.1980000  -9.9430000
  35.1540000   5.8240000  -9.0910000  34.9620000   5.9170000 -11.2270000
  33.9960000   6.3690000 -11.0790000  34.9020000   5.2050000 -12.0380000
  35.6850000   6.6820000 -11.4690000  34.6110000   3.8780000  -9.8290000
  35.0710000   3.1360000 -10.4630000  34.6280000   3.5360000  -8.8050000
  33.1630000   4.0920000 -10.2680000  32.5030000   3.5900000  -9.5850000
  33.0280000   3.6930000 -11.2620000  32.9420000   5.1520000 -10.2730000
  37.2410000   4.4150000 -11.3850000  37.3500000   5.2010000 -12.3230000
  37.4320000   3.1000000 -11.5180000  37.3410000   2.5110000 -10.7320000
  37.7950000   2.5220000 -12.8200000  38.2430000   3.2960000 -13.4180000
  38.8220000   1.4000000 -12.6020000  39.5590000   1.7420000 -11.9020000
  38.3320000   0.5370000 -12.2050000  39.5130000   1.0410000 -13.9190000
  38.7900000   1.0200000 -14.6940000  40.2430000   1.7830000 -14.1450000
  40.1880000  -0.3270000 -13.8610000  40.2240000  -0.9680000 -12.8100000
  40.7430000  -0.7980000 -14.9520000  40.7350000  -0.2740000 -15.7540000
  41.1320000  -1.6860000 -14.9740000  36.5550000   1.9940000 -13.5720000
  35.5620000   1.6160000 -12.9520000  36.6210000   2.0010000 -14.9200000
  37.4300000   2.3380000 -15.3630000  35.5020000   1.5500000 -15.7650000
  34.6970000   2.2660000 -15.6920000  35.9800000   1.4900000 -17.2130000
  36.2760000   2.4550000 -17.5400000  35.1880000   1.1290000 -17.8500000
  37.4040000   0.3850000 -17.2950000  34.9760000   0.1640000 -15.3720000
  34.6170000  -0.0700000 -14.2210000  34.9380000  -0.7550000 -16.3600000
  35.2410000  -0.5120000 -17.2550000  34.4600000  -2.1140000 -16.1330000
  34.6760000  -2.3960000 -15.1240000  32.9520000  -2.1900000 -16.3350000
  32.4680000  -1.4080000 -15.7690000  32.7160000  -2.0780000 -17.3770000
  32.4610000  -3.5470000 -15.8470000  33.1130000  -4.3230000 -16.2170000
  32.4550000  -3.5630000 -14.7670000  31.0480000  -3.7680000 -16.3590000
  31.0710000  -3.8830000 -17.4310000  30.6400000  -4.6620000 -15.9100000
  30.2190000  -2.6260000 -16.0130000  30.6050000  -1.8910000 -15.4940000
  28.9570000  -2.5610000 -16.4010000  28.4470000  -3.5320000 -17.1040000
  29.0120000  -4.3220000 -17.3450000  27.4940000  -3.4890000 -17.4000000
  28.2290000  -1.5250000 -16.0840000  28.6270000  -0.7810000 -15.5470000
  27.2750000  -1.4760000 -16.3780000  35.1320000  -3.1150000 -17.0900000
  34.5310000  -3.5300000 -18.0810000  36.3710000  -3.4990000 -16.7850000
  36.8000000  -3.1310000 -15.9900000  37.1080000  -4.4570000 -17.6200000
  38.1160000  -4.5360000 -17.2470000  36.4560000  -5.8340000 -17.4920000
  37.0710000  -6.4580000 -16.8640000  35.4940000  -5.7080000 -17.0370000
  36.2930000  -6.4870000 -18.8440000  35.1220000  -6.3660000 -19.5750000
  35.2990000  -7.0160000 -20.7380000  34.5510000  -7.0830000 -21.5140000
  36.5140000  -7.5650000 -20.8200000  36.8850000  -8.0810000 -21.5650000
  37.1440000  -7.2340000 -19.6250000  38.1480000  -7.5210000 -19.3550000
  37.1420000  -4.0120000 -19.0940000  36.2040000  -4.2650000 -19.8510000
  38.2170000  -3.3410000 -19.4980000  38.9290000  -3.1400000 -18.8730000
  38.3390000  -2.8760000 -20.8630000  38.5800000  -3.7020000 -21.5150000
  37.0310000  -2.2500000 -21.2940000  36.3850000  -3.0050000 -21.6750000
  37.2200000  -1.5130000 -22.0610000  36.2670000  -1.4570000 -19.8540000
  39.4090000  -1.8230000 -20.9440000  40.0340000  -1.6180000 -21.9860000
  39.5870000  -1.1320000 -19.8330000  39.0390000  -1.3370000 -19.0470000
  40.5560000  -0.0620000 -19.7890000  41.3600000  -0.3130000 -20.4320000
  39.9160000   1.2300000 -20.3170000  40.6590000   2.0060000 -20.3880000
  39.5160000   1.0400000 -21.2870000  38.7880000   1.6810000 -19.3910000
  38.0160000   0.9270000 -19.4000000  39.1670000   1.8080000 -18.3900000
  38.1950000   2.9990000 -19.8710000  38.7600000   3.5880000 -20.7750000
  37.1830000   3.4010000 -19.3210000  41.1580000   0.1400000 -18.4230000
  41.5070000  -0.8120000 -17.7260000  41.3420000   1.3930000 -18.0890000
  41.0790000   2.0840000 -18.7190000  41.9860000   1.7580000 -16.8430000
  42.3170000   0.8590000 -16.3460000  43.2130000   2.6170000 -17.1600000
  42.9000000   3.5070000 -17.6890000  43.7050000   2.8960000 -16.2400000
  44.1930000   1.8210000 -18.0360000  45.0250000   1.4860000 -17.4320000
  43.6880000   0.9650000 -18.4590000  44.7100000   2.7190000 -19.1650000
  43.8730000   3.0640000 -19.7600000  45.2150000   3.5720000 -18.7370000
  45.6350000   1.9850000 -20.0250000  45.2860000   1.4870000 -20.7940000
  46.9450000   1.9840000 -19.7880000  47.4260000   2.6380000 -18.7670000
  46.8120000   3.1420000 -18.1610000  48.4110000   2.6360000 -18.5920000
  47.7520000   1.3330000 -20.5830000  47.3850000   0.8360000 -21.3700000
  48.7360000   1.3330000 -20.4060000  41.0560000   2.5240000 -15.9080000
  39.8150000   2.4550000 -16.0120000  41.6790000   3.2230000 -14.9560000
  42.6580000   3.1990000 -14.9120000  40.9460000   3.9820000 -13.9510000
  40.0290000   3.4790000 -13.7430000  41.7520000   4.0490000 -12.6550000
  42.6820000   4.5670000 -12.8320000  41.1800000   4.5820000 -11.9100000
  42.0290000   2.6600000 -12.1670000  42.7840000   1.7470000 -12.8160000
  43.2810000   1.8970000 -13.7640000  42.8210000   0.5860000 -12.0680000
  43.3010000  -0.2240000 -12.3170000  42.0860000   0.6970000 -10.9050000
  41.8090000  -0.1710000  -9.8430000  42.2130000  -1.1750000  -9.8380000
  41.0010000   0.2690000  -8.7880000  40.7850000  -0.3920000  -7.9550000
  40.4790000   1.5740000  -8.8090000  39.8470000   1.9170000  -8.0070000
  40.7640000   2.4350000  -9.8770000  40.3610000   3.4310000  -9.8770000
  41.5700000   2.0120000 -10.9430000  40.6270000   5.3950000 -14.4140000
  41.4180000   6.0430000 -15.1010000  39.4520000   5.8580000 -14.0110000
  38.8880000   5.2890000 -13.4730000  38.9900000   7.1930000 -14.3400000
  39.8050000   7.7420000 -14.7850000  37.8290000   7.1190000 -15.3300000
  37.3670000   6.1450000 -15.2670000  37.1020000   7.8780000 -15.0860000
  38.3440000   7.3450000 -16.7430000  38.7370000   8.3410000 -16.8240000
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  36.5790000  -1.3370000  -5.2600000  37.6520000  -1.7580000  -5.6940000
  35.7570000  -0.5790000  -5.9780000  34.9130000  -0.2740000  -5.5820000
  36.0870000  -0.1960000  -7.3450000  36.8000000  -0.9070000  -7.7420000
  35.1870000  -0.2170000  -7.9420000  36.6910000   1.2070000  -7.3960000
  37.0100000   1.7270000  -8.4770000  36.8450000   1.8110000  -6.2200000
  36.5720000   1.3440000  -5.4020000  37.4110000   3.1500000  -6.1180000
  37.7480000   3.4650000  -7.0930000  36.3500000   4.1320000  -5.6160000
  36.5800000   4.4240000  -4.6010000  35.3790000   3.6600000  -5.6410000
  36.3420000   5.0080000  -6.2480000  38.5910000   3.1530000  -5.1550000
  38.5370000   2.5390000  -4.0890000  47.7862519   4.3281962  -6.9223810
  47.0453467   3.5075534  -7.4777242  47.1136013   3.2560786  -8.9568549
  46.1560000   2.7980000  -6.8060000  45.0030000   3.3900000  -6.0710000
  44.2660000   2.2870000  -5.3100000  43.1120000   2.8990000  -4.5100000
  42.0750000   3.4870000  -5.4710000  40.8380000   3.9290000  -4.6840000
  39.6560000   3.8530000  -5.5300000  41.0270000   5.3530000  -4.1690000
  41.0090000   6.3150000  -4.9420000  47.3805844   2.2208178  -9.1148904
  47.8542679   3.9090884  -9.3923524  46.2855236   1.8306924  -6.7326738
  45.3630000   4.1300000  -5.3720000  44.3280000   3.8550000  -6.7740000
  43.8730000   1.5660000  -6.0140000  44.9500000   1.7940000  -4.6340000
  42.6500000   2.1320000  -3.9070000  43.4930000   3.6810000  -3.8680000
  42.5020000   4.3390000  -5.9790000  41.7920000   2.7390000  -6.1980000
  40.7080000   3.2670000  -3.8410000  39.6440000   4.3270000  -6.3880000
  46.1424490   3.4632546  -9.4063450  41.1960000   5.4770000  -2.8550000
  41.1900000   4.6750000  -2.2950000  41.3810000   6.7850000  -2.2330000
  42.0600000   7.3650000  -2.8390000  40.0420000   7.5190000  -2.1590000
  39.7310000   7.7950000  -3.1540000  39.3010000   6.8710000  -1.7170000
  40.1890000   8.7780000  -1.3030000  39.2420000   9.2990000  -1.2670000
  40.4880000   8.5020000  -0.3030000  41.2510000   9.6950000  -1.9140000
  42.2050000   9.1900000  -1.9090000  40.9770000   9.9290000  -2.9330000
  41.3560000  10.9300000  -1.1440000  40.5790000  11.2510000  -0.6420000
  42.4890000  11.6260000  -1.1110000  43.5340000  11.2060000  -1.7700000
  43.4830000  10.3590000  -2.2990000  44.3840000  11.7300000  -1.7460000
  42.5540000  12.7320000  -0.4220000  41.7550000  13.0560000   0.0840000
  43.4060000  13.2560000  -0.3980000  41.9710000   6.6450000  -0.8300000
  42.3430000   7.6360000  -0.2030000  42.0530000   5.4110000  -0.3430000
  41.7410000   4.6570000  -0.8830000  42.5970000   5.1590000   0.9850000
  42.5910000   4.0950000   1.1710000  44.0380000   5.6650000   1.0620000
  44.6210000   5.2140000   0.2720000  44.0480000   6.7400000   0.9490000
  44.6270000   5.2970000   2.3950000  44.8150000   3.9790000   2.7790000
  45.3570000   3.9890000   4.0100000  45.6140000   3.1000000   4.5670000
  45.5380000   5.2330000   4.4620000  45.9140000   5.5040000   5.3250000
  45.0780000   6.0610000   3.4430000  45.0760000   7.1410000   3.4710000
  41.7530000   5.8510000   2.0510000  41.0250000   5.1990000   2.8000000
  41.8550000   7.1750000   2.1160000  42.4668050   7.6661950   1.4799800
  41.1077883   7.9540047   3.0826585  40.4975115   7.2882025   3.6928800
  41.8002595   8.5002566   3.7231218  40.4627080   8.6603876   2.5601696
  39.6360000  12.5560000 -14.7240000  37.2520000  -1.7140000 -17.7200000
# Restraints file 2: all.rst
# 1081 atoms read from pdb file phd6_1.pdb.
# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 LEU N)  90.0 164.5
 &rst     iat =   234,   236,   251,   253,
          r1 =  69.0, r2 =  70.0, r3 = 164.5, r4 = 165.5,
	  rk2=50.0, rk3=50.0,				/

# 18 LEU PHI:  (17 LEU C)-(18 LEU N)-(18 LEU CA)-(18 LEU C) -160.0 -109.6
 &rst     iat =   251,   253,   255,   270,
          r1 = -161.0, r2 = -160.0, r3 = -79.6, r4 = -78.6,
	/

# 18 LEU PSI:  (18 LEU N)-(18 LEU CA)-(18 LEU C)-(19 ILE N) 110.0 162.9
 &rst     iat =   253,   255,   270,   272,
	  r1 = 99.0, r2 = 100.0, r3 = 162.9, r4 = 163.9,
	/

# 19 ILE PHI:  (18 LEU C)-(19 ILE N)-(19 ILE CA)-(19 ILE C) -160.0 -99.7
 &rst     iat =   270,   272,   274,   289,
	  r1 = -161.0, r2 = -160.0, r3 = -99.7, r4 = -98.7,
	/

# 19 ILE PSI:  (19 ILE N)-(19 ILE CA)-(19 ILE C)-(20 GLN N) 100.0 174.1
 &rst     iat =   272,   274,   289,   291,
	  r1 =  99.0, r2 = 100.0, r3 = 174.1, r4 = 175.1,
	/

# 20 GLN PHI:  (19 ILE C)-(20 GLN N)-(20 GLN CA)-(20 GLN C) -150.0 -50.4
 &rst     iat =   289,   291,   293,   306,
	  r1 = -151.0, r2 = -150.0, r3 = -50.4, r4 = -49.4,
	/

# 20 GLN PSI:  (20 GLN N)-(20 GLN CA)-(20 GLN C)-(21 CY1 N) 100.0 152.1
 &rst     iat =   291,   293,   306,   308,
	  r1 =  99.0, r2 = 100.0, r3 = 162.1, r4 = 163.1,
	/

# 28 MET PHI:  (27 TRP C)-(28 MET N)-(28 MET CA)-(28 MET C) -170.0   7.3
 &rst     iat =   430,   432,   434,   447,
	  r1 = -171.0, r2 = -170.0, r3 =   7.3, r4 =   8.3,
	/

# 28 MET PSI:  (28 MET N)-(28 MET CA)-(28 MET C)-(29 HE1 N) 120.0 195.5
 &rst     iat =   432,   434,   447,   449,
	  r1 = 119.0, r2 = 120.0, r3 = 195.5, r4 = 196.5,
	/

# 31 GLY PHI:  (30 ALA C)-(31 GLY N)-(31 GLY CA)-(31 GLY C) -90.0 -39.9
 &rst     iat =   474,   476,   478,   481,
	  r1 = -91.0, r2 = -90.0, r3 = -39.9, r4 = -38.9,
	/

# 31 GLY PSI:  (31 GLY N)-(31 GLY CA)-(31 GLY C)-(32 CY2 N) -60.0 -11.4
 &rst     iat =   476,   478,   481,   483,
	  r1 = -61.0, r2 = -60.0, r3 = -11.4, r4 = -10.4,
	/

# 32 CYS PHI:  (31 GLY C)-(32 CY2 N)-(32 CY2 CA)-(32 CY2 C) -90.0 -38.9
 &rst     iat =   481,   483,   485,   491,
	  r1 = -91.0, r2 = -90.0, r3 = -38.9, r4 = -37.9,
	/

# 32 CYS PSI:  (32 CY2 N)-(32 CY2 CA)-(32 CY2 C)-(33 GLU N) -60.0   8.8
 &rst     iat =   483,   485,   491,   493,
	  r1 = -61.0, r2 = -60.0, r3 =   8.8, r4 =   9.8,
	/

# 38 GLU PHI:  (37 THR C)-(38 GLU N)-(38 GLU CA)-(38 GLU C) -80.0 -44.8
 &rst     iat =   570,   572,   574,   585,
	  r1 = -81.0, r2 = -80.0, r3 = -44.8, r4 = -43.8,
	/

# 38 GLU PSI:  (38 GLU N)-(38 GLU CA)-(38 GLU C)-(39 ASP N) -70.0  -6.8
 &rst     iat =   572,   574,   585,   587,
	  r1 = -71.0, r2 = -70.0, r3 =  -6.8, r4 =  -5.8,
	/

# 39 ASP PHI:  (38 GLU C)-(39 ASP N)-(39 ASP CA)-(39 ASP C) -90.0 -24.9
 &rst     iat =   585,   587,   589,   597,
	  r1 = -91.0, r2 = -90.0, r3 = -24.9, r4 = -23.9,
	/

# 39 ASP PSI:  (39 ASP N)-(39 ASP CA)-(39 ASP C)-(40 ASP N) -70.0 -16.8
 &rst     iat =   587,   589,   597,   599,
	  r1 = -71.0, r2 = -70.0, r3 = -16.8, r4 = -15.8,
	/

# 40 ASP PHI:  (39 ASP C)-(40 ASP N)-(40 ASP CA)-(40 ASP C) -80.0 -49.8
 &rst     iat =   597,   599,   601,   609,
	  r1 = -81.0, r2 = -80.0, r3 = -49.8, r4 = -48.8,
	/

# 40 ASP PSI:  (40 ASP N)-(40 ASP CA)-(40 ASP C)-(41 VAL N) -70.0 -19.8
 &rst     iat =   599,   601,   609,   611,
	  r1 = -71.0, r2 = -70.0, r3 = -19.8, r4 = -18.8,
	/

# 41 VAL PHI:  (40 ASP C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -90.0 -40.0
 &rst     iat =   609,   611,   613,   625,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	/

# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 GLU N) -70.0 -19.7
 &rst     iat =   611,   613,   625,   627,
	  r1 = -71.0, r2 = -70.0, r3 = -19.7, r4 = -18.7,
	/

# 42 GLU PHI:  (41 VAL C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -80.0 -38.4
 &rst     iat =   625,   627,   629,   640,
	  r1 = -81.0, r2 = -80.0, r3 = -38.4, r4 = -37.4,
	/

# 42 GLU PSI:  (42 GLU N)-(42 GLU CA)-(42 GLU C)-(43 GLN N) -70.0 -19.0
 &rst     iat =   627,   629,   640,   642,
	  r1 = -71.0, r2 = -70.0, r3 = -19.0, r4 = -18.0,
	/

# 43 GLN PHI:  (42 GLU C)-(43 GLN N)-(43 GLN CA)-(43 GLN C) -90.0 -37.7
 &rst     iat =   640,   642,   644,   657,
	  r1 = -91.0, r2 = -90.0, r3 = -37.7, r4 = -36.7,
	/

# 43 GLN PSI:  (43 GLN N)-(43 GLN CA)-(43 GLN C)-(44 ALA N) -70.0 -15.5
 &rst     iat =   642,   644,   657,   659,
	  r1 = -71.0, r2 = -70.0, r3 = -15.5, r4 = -14.5,
	/

# 44 ALA PHI:  (43 GLN C)-(44 ALA N)-(44 ALA CA)-(44 ALA C) -90.0 -39.1
 &rst     iat =   657,   659,   661,   667,
	  r1 = -91.0, r2 = -90.0, r3 = -39.1, r4 = -38.1,
	/

# 44 ALA PSI:  (44 ALA N)-(44 ALA CA)-(44 ALA C)-(45 ALA N) -70.0  -8.4
 &rst     iat =   659,   661,   667,   669,
	  r1 = -71.0, r2 = -70.0, r3 =  -8.4, r4 =  -7.4,
	/

# 45 ALA PHI:  (44 ALA C)-(45 ALA N)-(45 ALA CA)-(45 ALA C) -90.0 -39.9
 &rst     iat =   667,   669,   671,   677,
	  r1 = -91.0, r2 = -90.0, r3 = -39.9, r4 = -38.9,
	/

# 45 ALA PSI:  (45 ALA N)-(45 ALA CA)-(45 ALA C)-(46 ASP N) -70.0 -18.5
 &rst     iat =   669,   671,   677,   679,
	  r1 = -71.0, r2 = -70.0, r3 = -18.5, r4 = -17.5,
	/

# 46 ASP PHI:  (45 ALA C)-(46 ASP N)-(46 ASP CA)-(46 ASP C) -90.0 -38.9
 &rst     iat =   677,   679,   681,   689,
	  r1 = -91.0, r2 = -90.0, r3 = -38.9, r4 = -37.9,
	/

# 46 ASP PSI:  (46 ASP N)-(46 ASP CA)-(46 ASP C)-(47 GLU N) -70.0  -7.7
 &rst     iat =   679,   681,   689,   691,
	  r1 = -71.0, r2 = -70.0, r3 =  -7.7, r4 =  -6.7,
	/

#LYS  HA --> CH3 ace
#
#     2 LEU  QB        65 LYS  HA         6.00       
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,

      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1=  17,  18,
 igr2= 940, 941, 953,
 /
#
#    15 GLU  QG        66 ARG  QD         5.50 -> TK del
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 6.93, r4= 7.43,
#      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
# igr1= 215, 216,
# igr2= 965, 966,
# /
#
#    12 TYR  QE        65 LYS  QD         7.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1= 166, 171,
 igr2= 946, 945,
 /
#
#    27 TRP  HZ2       65 LYS  QD         6.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 946, 945,
 /
#
#    27 TRP  HZ2       65 LYS  QE         6.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 944, 943,
 /
#
#    27 TRP  HZ2       65 LYS  HA         7.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 940, 941, 953,
 /
#
#    27 TRP  HZ2       63 GLY  QA         5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 914, 915,
 /
#
#    27 TRP  HH2       65 LYS  QD         4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 946, 945,
 /
#
#    27 TRP  HH2       63 GLY  QA         4.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 914, 915,
 /
#
#    27 TRP  HZ3       65 LYS  QD         5.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 946, 945,
 /
#
#    27 TRP  HD1       65 LYS  HA         6.50 
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr2= 940, 941, 953,
 /
#    18 LEU  QD1       67 HIS  QB         6.50 -> TK add weak; 66 ARG QD amb use his.hb
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 263, 264, 265,
 igr2= 983, 984,
 /
#
#
#   15 GLU  QG        13 VAL  QQG         6.50
 &rst 
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.20, r4=7.70,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 215,216,
 igr2=183,184,185,187,188,189,
 /
#
#   3 VAL  QG        2 LEU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= -1,  17, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=38,39,40,42,43,44,
 /
#
#  18 LEU  QD        2 LEU  QD        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= -1,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=263,264,265,267,268,269,
 igr2=22,23,24,26,27,28,
 /
#
#  27 TRP  HZ2       20 GLN  QG         6.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=299,300,
 /
#
#  27 TRP  HZ2       66 ALY  CH3 or 25 QG         7.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=377,378,
 /
#
#  27 TRP  HZ3       19 ILE  HB         6.5 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=277,
 /
#
#
#  chirality for residue 1 atoms:  CA OG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 =150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,10,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=14,19,17,18, &end
#
#  chirality for residue 2 atoms:  CB CD1 CD2 HG
 &rst iat=16,21,25,20, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=12,29,15,16, &end
#
#  chirality for residue 3 atoms:  CA CG1 CG2 HB
 &rst iat=33,37,41,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,45,34,35, &end
#
#  chirality for residue 4 atoms:  CA CG2 OG1 HB
 &rst iat=49,53,57,52, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=47,59,50,51, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=81,75,79,80, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=78,72,76,77, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=75,71,73,74, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=71,83,82,78, &end
#
#  chirality for residue 7 atoms:  CA CG2 CG1 HB
 &rst iat=87,91,95,90, &end
#
#  chirality for residue 7 atoms:  CB CD1 HG12 HG13
 &rst iat=89,98,96,97, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=85,102,88,89, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=114,129,117,118, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=131,139,134,135, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=151,145,149,150, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=148,142,146,147, &end
#
#  chirality for residue 11 atoms:  CG N HD2 HD3
 &rst iat=145,141,143,144, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=141,153,152,148, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=157,162,160,161, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=155,174,158,159, &end
#
#  chirality for residue 13 atoms:  CA CG1 CG2 HB
 &rst iat=178,182,186,181, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=176,190,179,180, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=194,199,197,198, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=196,202,200,201, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=192,205,195,196, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=209,214,212,213, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=211,217,215,216, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=207,220,210,211, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=224,229,227,228, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=222,232,225,226, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=236,241,239,240, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=238,243,247,242, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=234,251,237,238, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 18 atoms:  CB CD1 CD2 HG
 &rst iat=257,262,266,261, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=253,270,256,257, &end
#
#  chirality for residue 19 atoms:  CA CG2 CG1 HB
 &rst iat=274,278,282,277, &end
#
#  chirality for residue 19 atoms:  CB CD1 HG12 HG13
 &rst iat=276,285,283,284, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=272,289,275,276, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=293,298,296,297, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=295,301,299,300, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=291,306,294,295, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=320,325,323,324, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=322,328,326,327, &end
#
#  chirality for residue 22 atoms:  CG NE HD2 HD3
 &rst iat=325,331,329,330, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=318,340,321,322, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=344,349,347,348, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=342,357,345,346, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=371,376,374,375, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=373,379,377,378, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=369,382,372,373, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=386,391,389,390, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=388,394,392,393, &end
#
#  chirality for residue 26 atoms:  CG NE HD2 HD3
 &rst iat=391,397,395,396, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=384,406,387,388, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=410,415,413,414, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=408,430,411,412, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=434,439,437,438, &end
#
#  chirality for residue 28 atoms:  CB SD HG2 HG3
 &rst iat=436,442,440,441, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=432,447,435,436, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=466,474,469,470, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=476,481,479,480, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=495,500,498,499, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=497,503,501,502, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=493,506,496,497, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=510,515,513,514, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=508,517,511,512, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 35 atoms:  CB CD1 CD2 HG
 &rst iat=523,528,532,527, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=519,536,522,523, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=540,545,543,544, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=538,556,541,542, &end
#
#  chirality for residue 37 atoms:  CA CG2 OG1 HB
 &rst iat=560,564,568,563, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=558,570,561,562, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=574,579,577,578, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=576,582,580,581, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=572,585,575,576, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=589,594,592,593, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=587,597,590,591, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=599,609,602,603, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=613,617,621,616, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=611,625,614,615, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=629,634,632,633, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=631,637,635,636, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=627,640,630,631, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=646,652,650,651, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=642,657,645,646, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=659,667,662,663, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=669,677,672,673, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=681,686,684,685, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=679,689,682,683, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=693,698,696,697, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=695,701,699,700, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=691,704,694,695, &end
#
#  chirality for residue 48 atoms:  N C HA2 HA3
 &rst iat=706,711,709,710, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=713,731,716,717, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=735,740,738,739, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=733,743,736,737, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=757,761,765,760, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=755,769,758,759, &end
#
#  chirality for residue 53 atoms:  CA OG HB2 HB3
 &rst iat=773,778,776,777, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=771,780,774,775, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=794,799,797,798, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=796,802,800,801, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=792,807,795,796, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=819,813,817,818, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=816,810,814,815, &end
#
#  chirality for residue 56 atoms:  CG N HD2 HD3
 &rst iat=813,809,811,812, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=809,821,820,816, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=825,830,828,829, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=823,842,826,827, &end
#
#  chirality for residue 58 atoms:  CA CG1 CG2 HB
 &rst iat=846,850,854,849, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=844,858,847,848, &end
#
#  chirality for residue 59 atoms:  CA CG1 CG2 HB
 &rst iat=862,866,870,865, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=860,874,863,864, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=878,883,881,882, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=880,886,884,885, &end
#
#  chirality for residue 60 atoms:  CD NZ HE2 HE3
 &rst iat=886,892,890,891, &end
#
#  chirality for residue 60 atoms:  CG CE HD2 HD3
 &rst iat=883,889,887,888, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=876,896,879,880, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=904,909,907,908, &end
#
#  chirality for residue 63 atoms:  N C HA2 HA3
 &rst iat=911,916,914,915, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=918,926,921,922, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=956,961,959,960, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=958,964,962,963, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=961,967,965,966, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=954,976,957,958, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=980,985,983,984, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=978,993,981,982, &end
#
#  trans-omega constraint for residue 2
 &rst iat=14,12,10,3, 
   r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,14, &end
#
#  trans-omega constraint for residue 4
 &rst iat=49,47,45,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=63,61,59,49, &end
#
#  trans-omega constraint for residue 6
 &rst iat=81,71,69,63, &end
#
#  trans-omega constraint for residue 7
 &rst iat=87,85,83,81, &end
#
#  trans-omega constraint for residue 8
 &rst iat=106,104,102,87, &end
#
#  trans-omega constraint for residue 9
 &rst iat=116,114,112,106, &end
#
#  trans-omega constraint for residue 10
 &rst iat=133,131,129,116, &end
#
#  trans-omega constraint for residue 11
 &rst iat=151,141,139,133, &end
#
#  trans-omega constraint for residue 12
 &rst iat=157,155,153,151, &end
#
#  trans-omega constraint for residue 13
 &rst iat=178,176,174,157, &end
#
#  trans-omega constraint for residue 14
 &rst iat=194,192,190,178, &end
#
#  trans-omega constraint for residue 15
 &rst iat=209,207,205,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=224,222,220,209, &end
#
#  trans-omega constraint for residue 17
 &rst iat=236,234,232,224, &end
#
#  trans-omega constraint for residue 18
 &rst iat=255,253,251,236, &end
#
#  trans-omega constraint for residue 19
 &rst iat=274,272,270,255, &end
#
#  trans-omega constraint for residue 20
 &rst iat=293,291,289,274, &end
#
#  trans-omega constraint for residue 21
 &rst iat=310,308,306,293, &end
#
#  trans-omega constraint for residue 22
 &rst iat=320,318,316,310, &end
#
#  trans-omega constraint for residue 23
 &rst iat=344,342,340,320, &end
#
#  trans-omega constraint for residue 24
 &rst iat=361,359,357,344, &end
#
#  trans-omega constraint for residue 25
 &rst iat=371,369,367,361, &end
#
#  trans-omega constraint for residue 26
 &rst iat=386,384,382,371, &end
#
#  trans-omega constraint for residue 27
 &rst iat=410,408,406,386, &end
#
#  trans-omega constraint for residue 28
 &rst iat=434,432,430,410, &end
#
#  trans-omega constraint for residue 29
 &rst iat=451,449,447,434, &end
#
#  trans-omega constraint for residue 30
 &rst iat=468,466,464,451, &end
#
#  trans-omega constraint for residue 31
 &rst iat=478,476,474,468, &end
#
#  trans-omega constraint for residue 32
 &rst iat=485,483,481,478, &end
#
#  trans-omega constraint for residue 33
 &rst iat=495,493,491,485, &end
#
#  trans-omega constraint for residue 34
 &rst iat=510,508,506,495, &end
#
#  trans-omega constraint for residue 35
 &rst iat=521,519,517,510, &end
#
#  trans-omega constraint for residue 36
 &rst iat=540,538,536,521, &end
#
#  trans-omega constraint for residue 37
 &rst iat=560,558,556,540, &end
#
#  trans-omega constraint for residue 38
 &rst iat=574,572,570,560, &end
#
#  trans-omega constraint for residue 39
 &rst iat=589,587,585,574, &end
#
#  trans-omega constraint for residue 40
 &rst iat=601,599,597,589, &end
#
#  trans-omega constraint for residue 41
 &rst iat=613,611,609,601, &end
#
#  trans-omega constraint for residue 42
 &rst iat=629,627,625,613, &end
#
#  trans-omega constraint for residue 43
 &rst iat=644,642,640,629, &end
#
#  trans-omega constraint for residue 44
 &rst iat=661,659,657,644, &end
#
#  trans-omega constraint for residue 45
 &rst iat=671,669,667,661, &end
#
#  trans-omega constraint for residue 46
 &rst iat=681,679,677,671, &end
#
#  trans-omega constraint for residue 47
 &rst iat=693,691,689,681, &end
#
#  trans-omega constraint for residue 48
 &rst iat=708,706,704,693, &end
#
#  trans-omega constraint for residue 49
 &rst iat=715,713,711,708, &end
#
#  trans-omega constraint for residue 50
 &rst iat=735,733,731,715, &end
#
#  trans-omega constraint for residue 51
 &rst iat=747,745,743,735, &end
#
#  trans-omega constraint for residue 52
 &rst iat=757,755,753,747, &end
#
#  trans-omega constraint for residue 53
 &rst iat=773,771,769,757, &end
#
#  trans-omega constraint for residue 54
 &rst iat=784,782,780,773, &end
#
#  trans-omega constraint for residue 55
 &rst iat=794,792,790,784, &end
#
#  trans-omega constraint for residue 56
 &rst iat=819,809,807,794, &end
#
#  trans-omega constraint for residue 57
 &rst iat=825,823,821,819, &end
#
#  trans-omega constraint for residue 58
 &rst iat=846,844,842,825, &end
#
#  trans-omega constraint for residue 59
 &rst iat=862,860,858,846, &end
#
#  trans-omega constraint for residue 60
 &rst iat=878,876,874,862, &end
#
#  trans-omega constraint for residue 63
 &rst iat=913,911,909,906, &end
#
#  trans-omega constraint for residue 64
 &rst iat=920,918,916,913, &end
#
#  trans-omega constraint for residue 65
 &rst iat=936,937,926,920, &end
#
#  trans-omega constraint for residue 66
 &rst iat=956,954,938,936, &end
#
#  trans-omega constraint for residue 67
 &rst iat=980,978,976,956, &end
#
#  20 GLN  N      64 GLY  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 917, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 /
#
#  18 LEU  N      66 ALY  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 939, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 /
#
#  18 LEU  O      66 ALY  N     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 937, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 /
#
#  19 ILE  N      28 MET  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 448, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 /
#
#  19 ILE  HN      28 MET  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 448, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  21 CY1  N      26 ARG  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 407, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  28 MET  N      19 ILE  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 290, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  28 MET  HN      19 ILE  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 290, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  42 GLU  N      38 GLU  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 586, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  42 GLU  HN      38 GLU  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 586, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  43 GLN  N      39 ASP  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 598, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  43 GLN  HN      39 ASP  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 598, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  44 ALA  N      40 ASP  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 610, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  44 ALA  HN      40 ASP  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 610, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  45 ALA  N      41 VAL  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 626, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  45 ALA  HN      41 VAL  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 626, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  46 ASP  N      42 GLU  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 641, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  46 ASP  HN      42 GLU  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 641, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  47 GLU  N      43 GLN  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 658, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  47 GLU  HN      43 GLN  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 658, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#  57 TYR  N      53 SER  O     2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 781, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  /
#
#  57 TYR  HN      53 SER  O     1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 781, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  /
#
#    17 LEU  QD2       66 ARG  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 248, 249, 250,
 igr2= 959, 960,
 /
#
#    17 LEU  QD2       66 ARG  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 248, 249, 250,
 igr2= 965, 966,
 /
#
#    17 LEU  QD2       66 ARG  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 248, 249, 250,
 igr2= 962, 963,
 /
#
#    17 LEU  QD1       66 ARG  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 244, 245, 246,
 igr2= 965, 966,
 /
#
#    17 LEU  QD1       66 ARG  QG         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 244, 245, 246,
 igr2= 962, 963,
 /
#
#    18 LEU  QB        65 LYS  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1= 258, 259,
 igr2= 946, 945,
 /
#
#    18 LEU  QD2       65 LYS  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1= 267, 268, 269,
 igr2= 946, 945,
 /
#
#    18 LEU  QD1       65 LYS  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 igr1= 263, 264, 265,
 igr2= 946, 945,
 /
#
#    19 ILE  QD1       64 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 286, 287, 288,
 igr2= 923, 924, 925,
 /
#
#    20 GLN  QB        63 GLY  QA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 296, 297,
 igr2= 914, 915,
 /
#
#    20 GLN  QG        63 GLY  QA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 299, 300,
 igr2= 914, 915,
 /
#
#    38 GLU  HA        66 ARG  QG         7.00  -> TK A15.qb amb -> use only A15
# igr2= 962, 963,
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 923, 924, 925,
 /
#
#    38 GLU  QG        66 ARG  QB         7.00 -> TK del
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
#      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
# igr1= 580, 581,
# igr2= 959, 960,
# /
#
#    38 GLU  QG        66 ARG  QG         5.50 -> TK A15.hb amb -> use only A15
# igr2= 962, 963,
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 580, 581,
 igr2= 923, 924, 925,
 /
#
#    41 VAL  HB        64 ALA  QB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2= 923, 924, 925,
 /
#
#    41 VAL  QG2       64 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 622, 623, 624,
 igr2= 923, 924, 925,
 /
#
#    41 VAL  QG1       63 GLY  QA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 618, 619, 620,
 igr2= 914, 915,
 /
#
#    41 VAL  QG1       66 ARG  QD         6.50 -> TK del
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
#      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
# igr1= 618, 619, 620,
# igr2= 965, 966,
# /
#
#    41 VAL  QG1       64 ALA  QB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 618, 619, 620,
 igr2= 923, 924, 925,
 /
#
#    42 GLU  QG        64 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.50, r4= 8.00,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 635, 636,
 igr2= 923, 924, 925,
 /
#
#    45 ALA  QB        63 GLY  QA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 674, 675, 676,
 igr2= 914, 915,
 /
#
#    45 ALA  QB        66 ARG  QD         6.00 -> TK del
# &rst
#  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
#      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
# igr1= 674, 675, 676,
# igr2= 965, 966,
# /
#
#   2 LEU  HA         2 LEU  HG         4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  20, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 /
#
#   2 LEU  QD2        2 LEU  HB3        4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  26,  27,  28,
 /
#
#   2 LEU  QD2        2 LEU  HB2        3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  17, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=  26,  27,  28,
 /
#
#   2 LEU  HN         2 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  26,  27,  28,
 /
#
#   2 LEU  QD1        2 LEU  QD2        3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=  22,  23,  24,
 igr2=  26,  27,  28,
 /
#
#   2 LEU  HA         2 LEU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  18, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   2 LEU  HN         2 LEU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  17, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   2 LEU  HA         2 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  26,  27,  28,
 /
#
#   2 LEU  HN         2 LEU  HG         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  20, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   2 LEU  QD1        2 LEU  HB2        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  17, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=  22,  23,  24,
 /
#
#   2 LEU  QD1        2 LEU  HG         3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=  22,  23,  24,
 /
#
#   2 LEU  HA         2 LEU  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  17, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   2 LEU  QD2        2 LEU  HG         3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  26,  27,  28,
 /
#
#   2 LEU  QD1        2 LEU  HB3        3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  18, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=  22,  23,  24,
 /
#
#   2 LEU  HA         2 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  22,  23,  24,
 /
#
#   2 LEU  HN         2 LEU  HA         4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  15, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  /
#
#   2 LEU  HN         2 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  22,  23,  24,
 /
#
#   2 LEU  HN         2 LEU  HB3        3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  18, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  /
#
#   2 LEU  HN         3 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  38,  39,  40,
 /
#
#   2 LEU  HN         4 THR  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  50, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   2 LEU  HN         4 THR  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   2 LEU  HA        12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,
 igr2= 166, 171,
 /
#
#   2 LEU  HG        12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  -1, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,
 igr2= 166, 171,
 /
#
#   2 LEU  QD2       12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,
 igr1=  26,  27,  28,
 igr2= 166, 171,
 /
#
#   3 VAL  HN         2 LEU  HB3        4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  18, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,  /
#
#   3 VAL  HN         2 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2=  26,  27,  28,
 /
#
#   3 VAL  HN         2 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2=  22,  23,  24,
 /
#
#   3 VAL  HN         2 LEU  HB2        4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  17, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,  /
#
#   3 VAL  HN         2 LEU  HA         3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  15, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  /
#
#   3 VAL  HN         3 VAL  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  42,  43,  44,
 /
#
#   3 VAL  QG2        3 VAL  HB         3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1=  42,  43,  44,
 /
#
#   3 VAL  HA         3 VAL  QG2        3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=  42,  43,  44,
 /
#
#   3 VAL  QG1        3 VAL  HB         3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=  38,  39,  40,
 /
#
#   3 VAL  HN         3 VAL  HA         4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  34, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  /
#
#   3 VAL  HA         3 VAL  QG1        3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=  38,  39,  40,
 /
#
#   3 VAL  HA         3 VAL  HB         3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  /
#
#   3 VAL  HN         3 VAL  HB         3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  36, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  /
#
#   3 VAL  HN         3 VAL  QG1        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  38,  39,  40,
 /
#
#   3 VAL  HN         4 THR  HN         4.00 --> 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  48, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   3 VAL  HN         4 THR  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   3 VAL  HA        12 TYR  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 3.30, r2= 3.80, r3= 6.00, r4= 6.50,
 igr2= 166, 171,
 /
#
#   3 VAL  QG1       12 TYR  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr1=  38,  39,  40,
 igr2= 166, 171,
 /
#
#   3 VAL  QG2       12 TYR  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr1=  42,  43,  44,
 igr2= 166, 171,
 /
#
#   3 VAL  HN        12 TYR  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 166, 171,
 /
#
#   3 VAL  QG1       12 TYR  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 4.30, r2= 4.80, r3= 8.00, r4= 8.50,
 igr1=  38,  39,  40,
 igr2= 164, 173,
 /
#
#   3 VAL  HA        12 TYR  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  34,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 164, 173,
 /
#
#   4 THR  HN         2 LEU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  17, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   4 THR  HN         2 LEU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  15, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   4 THR  HN         3 VAL  HA         3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  34, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  /
#
#   4 THR  HN         3 VAL  QG1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  38,  39,  40,
 /
#
#   4 THR  HN         3 VAL  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  36, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   4 THR  HN         3 VAL  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  42,  43,  44,
 /
#
#   4 THR  HB         3 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  38,  39,  40,  42,  43,  44,
 /
#
#   4 THR  HB         4 THR  QG2        3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=  54,  55,  56,
 /
#
#   4 THR  HA         4 THR  HB         4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  52, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  /
#
#   4 THR  HA         4 THR  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  54,  55,  56,
 /
#
#   4 THR  HN         4 THR  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   4 THR  HN         4 THR  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  54,  55,  56,
 /
#
#   4 THR  HN         4 THR  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   4 THR  HA         5 CY2  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   4 THR  HN         5 CY2  HN         3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  62, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  /
#
#   4 THR  HB         6 PRO  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  73, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   4 THR  HA         6 PRO  QG         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=  76,  77,
 /
#
#   4 THR  QG2        6 PRO  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  54,  55,  56,
 /
#
#   4 THR  QG2        6 PRO  HD3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  54,  55,  56,
 /
#
#   4 THR  HB         6 PRO  HG2        7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  76, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,  /
#
#   4 THR  HB         6 PRO  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  79, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   4 THR  HB         6 PRO  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  82, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   4 THR  QG2        6 PRO  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=  54,  55,  56,
 /
#
#   4 THR  QG2        6 PRO  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=  54,  55,  56,
 /
#
#   4 THR  QG2        6 PRO  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  54,  55,  56,
 /
#
#   4 THR  QG2        6 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=  54,  55,  56,
 /
#
#   4 THR  HN         7 ILE  HN         7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  86, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  /
#
#   4 THR  HN        10 ALA  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48, 132, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   4 THR  HA        10 ALA  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 132, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   4 THR  HN        12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 4.30, r2= 4.80, r3= 7.00, r4= 7.50,
 igr2= 166, 171,
 /
#
#   5 CY2  HB3        4 THR  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  54,  55,  56,
 /
#
#   5 CY2  HN         4 THR  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   5 CY2  HN         4 THR  HA         4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  50, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  /
#
#   5 CY2  HN         4 THR  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  54,  55,  56,
 /
#
#   5 CY2  HA         5 CY2  HB2        4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  67, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  /
#
#   5 CY2  HN         5 CY2  HA         5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  /
#
#   5 CY2  HA         5 CY2  HB3        3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  /
#
#   5 CY2  HN         5 CY2  HB2        3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  67, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  /
#
#   5 CY2  HN         5 CY2  HB3        4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  66, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  /
#
#   5 CY2  HA         6 PRO  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   5 CY2  HB2       10 ALA  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 136, 137, 138,
 /
#
#   5 CY2  HN        10 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 136, 137, 138,
 /
#
#   5 CY2  HN        10 ALA  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 132, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   5 CY2  HA        11 PRO  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 143, 144,
 /
#
#   5 CY2  HB3       12 TYR  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 3.30, r2= 3.80, r3= 7.30, r4= 7.80,
 igr2= 166, 171,
 /
#
#   5 CY2  HB2       12 TYR  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 166, 171,
 /
#
#   5 CY2  HA        12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2= 166, 171,
 /
#
#   6 PRO  HB2        6 PRO  HD2        4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  73, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  /
#
#   6 PRO  HB2        6 PRO  HG2        2.84
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  76, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  /
#
#   6 PRO  HB3        6 PRO  HG2        3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  76, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  /
#
#   6 PRO  HB2        6 PRO  HG3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#   6 PRO  HD2        6 PRO  HG3        3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  /
#
#   6 PRO  HB3        6 PRO  HG3        2.69
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  77, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  /
#
#   6 PRO  HD3        6 PRO  HG2        3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  76, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  /
#
#   6 PRO  HD2        6 PRO  HG2        3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  76, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  /
#
#   6 PRO  HD3        6 PRO  HG3        3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  77, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  /
#
#   6 PRO  HB2        6 PRO  HD3        4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  74, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  /
#
#   6 PRO  HB3        6 PRO  HD2        4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  73, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  /
#
#   6 PRO  HB3        6 PRO  HD3        4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  74, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  /
#
#   7 ILE  HN         5 CY2  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   7 ILE  HN         5 CY2  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  67, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   7 ILE  HN         5 CY2  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   7 ILE  QD1        6 PRO  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  99, 100, 101,
 /
#
#   7 ILE  QG2        6 PRO  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1=  92,  93,  94,
 /
#
#   7 ILE  HN         6 PRO  HB2        4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  79, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  /
#
#   7 ILE  HA         6 PRO  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  79, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   7 ILE  HA         6 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  80, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   7 ILE  HN         7 ILE  HG13       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  97, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   7 ILE  HN         7 ILE  QG2        4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=  92,  93,  94,
 /
#
#   7 ILE  QG2        7 ILE  HG12       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=  92,  93,  94,
 /
#
#   7 ILE  HB         7 ILE  HG12       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  96, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  /
#
#   7 ILE  QG2        7 ILE  HG13       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=  92,  93,  94,
 /
#
#   7 ILE  HN         7 ILE  HG12       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  96, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   7 ILE  HN         7 ILE  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   7 ILE  HB         7 ILE  HG13       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  97, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  /
#
#   7 ILE  HB         7 ILE  QG2        3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=  92,  93,  94,
 /
#
#   7 ILE  HB         7 ILE  QD1        3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=  99, 100, 101,
 /
#
#   7 ILE  HN         7 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  99, 100, 101,
 /
#
#   7 ILE  HG12       7 ILE  HA         4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  88, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  /
#
#   7 ILE  QG2        7 ILE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  92,  93,  94,
 /
#
#   7 ILE  HB         7 ILE  HA         5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  88, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  /
#
#   7 ILE  HG13       7 ILE  HA         4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  88, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  /
#
#   7 ILE  HN         7 ILE  HA         3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  88, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  /
#
#   7 ILE  HG12       7 ILE  QD1        3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=  99, 100, 101,
 /
#
#   7 ILE  HG13       7 ILE  QD1        3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=  99, 100, 101,
 /
#
#   7 ILE  HA         7 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  99, 100, 101,
 /
#
#   7 ILE  HN         8 CY2  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 105, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   7 ILE  HA         8 CY2  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   7 ILE  HA         9 HIE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 115, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   7 ILE  HN        28 MET  QB         7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr2= 437, 438,
 /
#
#   7 ILE  QG2       32 CY2  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  92,  93,  94,
 /
#
#   7 ILE  QD1       32 CY2  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 2.30, r2= 2.80, r3= 7.21, r4= 7.71,
 igr1=  99, 100, 101,
 /
#
#   7 ILE  HN        32 CY2  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 489, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   7 ILE  HN        32 CY2  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 488, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#   7 ILE  QD1       33 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  99, 100, 101,
 /
#
#   7 ILE  QD1       33 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  99, 100, 101,
 /
#
#   8 CY2  HN         5 CY2  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 CY2  HN         5 CY2  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  67, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 CY2  HN         7 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 /
#
#   8 CY2  HB3        7 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  92,  93,  94,
 /
#
#   8 CY2  HN         7 ILE  HB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   8 CY2  HN         7 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  96, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 CY2  HB2        7 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  92,  93,  94,
 /
#
#   8 CY2  HN         7 ILE  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  99, 100, 101,
 /
#
#   8 CY2  HN         7 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  97, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 CY2  HN         8 CY2  HB3        3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 109, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  /
#
#   8 CY2  HN         8 CY2  HB2        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 110, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  /
#
#   8 CY2  HN         9 HIE  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#   8 CY2  HB2       10 ALA  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 136, 137, 138,
 /
#
#   8 CY2  HN        32 CY2  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 488, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   8 CY2  HN        32 CY2  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 489, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#   9 HIE  HA         4 THR  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  54,  55,  56,
 /
#
#   9 HIE  HB2        4 THR  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  54,  55,  56,
 /
#
#   9 HIE  HB3        4 THR  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  54,  55,  56,
 /
#
#   9 HIE  HN         4 THR  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  54,  55,  56,
 /
#
#   9 HIE  HN         5 CY2  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  67, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   9 HIE  HN         5 CY2  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  66, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   9 HIE  HN         7 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#   9 HIE  HN         7 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  92,  93,  94,
 /
#
#   9 HIE  HN         7 ILE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  86, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#   9 HIE  HN         8 CY2  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 110, 109,
 /
#
#   9 HIE  HA         9 HIE  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 128, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#   9 HIE  HA         9 HIE  HB2        3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  /
#
#   9 HIE  HA         9 HIE  HB3        3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  /
#
#   9 HIE  HN         9 HIE  HB3        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  /
#
#   9 HIE  HD2        9 HIE  HB2        4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 119, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  /
#
#   9 HIE  HD2        9 HIE  HB3        5.66
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 120, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,  /
#
#   9 HIE  HN         9 HIE  HA         3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  /
#
#   9 HIE  HN         9 HIE  HB2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  /
#
#   9 HIE  HN         9 HIE  HD2        6.03
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 128, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,  /
#
#   9 HIE  HN        10 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 136, 137, 138,
 /
#
#   9 HIE  HN        10 ALA  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 132, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#   9 HIE  HB3       10 ALA  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  10 ALA  QB         4 THR  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 136, 137, 138,
 igr2=  54,  55,  56,
 /
#
#  10 ALA  HN         4 THR  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  10 ALA  HA         4 THR  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  54,  55,  56,
 /
#
#  10 ALA  HN         4 THR  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2=  54,  55,  56,
 /
#
#  10 ALA  HN         5 CY2  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  10 ALA  QB         5 CY2  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 /
#
#  10 ALA  HA         6 PRO  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  73,  74,
 /
#
#  10 ALA  HA         6 PRO  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  76, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,  /
#
#  10 ALA  QB         6 PRO  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 136, 137, 138,
 /
#
#  10 ALA  QB         6 PRO  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 136, 137, 138,
 /
#
#  10 ALA  HA         6 PRO  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  77, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  10 ALA  QB         6 PRO  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 136, 137, 138,
 /
#
#  10 ALA  QB         6 PRO  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  74, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 136, 137, 138,
 /
#
#  10 ALA  QB         6 PRO  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 136, 137, 138,
 igr2=  79,  80,
 /
#
#  10 ALA  HN         6 PRO  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  73,  74,
 /
#
#  10 ALA  HN         8 CY2  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  10 ALA  HN         8 CY2  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  10 ALA  HN         8 CY2  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  10 ALA  HN         9 HIE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  10 ALA  HN         9 HIE  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  10 ALA  HA        10 ALA  QB         3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 136, 137, 138,
 /
#
#  10 ALA  HN        10 ALA  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 136, 137, 138,
 /
#
#  10 ALA  HN        10 ALA  HA         4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 134, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  /
#
#  10 ALA  QB        29 HIE  HE1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 459, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 136, 137, 138,
 /
#
#  11 PRO  QG        11 PRO  QB         3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 146, 147,
 igr2= 149, 150,
 /
#
#  11 PRO  QD        11 PRO  QG         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 143, 144,
 igr2= 146, 147,
 /
#
#  11 PRO  QB        11 PRO  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 149, 150,
 /
#
#  11 PRO  QD        11 PRO  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 143, 144,
 igr2= 149, 150,
 /
#
#  12 TYR  QD        12 TYR  HA         3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 164, 173,
 /
#
#  12 TYR  QE        12 TYR  QD         2.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1= 166, 171,
 igr2= 164, 173,
 /
#
#  12 TYR  QE        12 TYR  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 166, 171,
 /
#
#  13 VAL  QG1       11 PRO  QG         7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
 igr1= 183, 184, 185,
 igr2= 146, 147,
 /
#
#  13 VAL  QG2       11 PRO  QG         7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
 igr1= 187, 188, 189,
 igr2= 146, 147,
 /
#
#  13 VAL  QG1       11 PRO  QB         7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.11, r4=10.61,
 igr1= 183, 184, 185,
 igr2= 149, 150,
 /
#
#  13 VAL  HA        13 VAL  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 187, 188, 189,
 /
#
#  13 VAL  HA        13 VAL  QG1        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 183, 184, 185,
 /
#
#  13 VAL  HA        13 VAL  HB         4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 181, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  /
#
#  13 VAL  HB        13 VAL  QG2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 187, 188, 189,
 /
#
#  13 VAL  HB        13 VAL  QG1        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 183, 184, 185,
 /
#
#  13 VAL  QG1       14 GLU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 183, 184, 185,
 /
#
#  13 VAL  HB        14 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  13 VAL  QG2       14 GLU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 187, 188, 189,
 /
#
#  13 VAL  HA        14 GLU  HN         4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 193, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  /
#
#  14 GLU  HN        14 GLU  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 200, 201,
 /
#
#  14 GLU  HA        14 GLU  QG         3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 200, 201,
 /
#
#  14 GLU  HA        14 GLU  HB3        3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 195, 198, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  /
#
#  14 GLU  HN        14 GLU  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  14 GLU  HN        14 GLU  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 197, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  14 GLU  HN        14 GLU  HA         4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  /
#
#  14 GLU  HN        15 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  15 GLU  HN        15 GLU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 210, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  16 ASP  HN        13 VAL  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  16 ASP  HN        13 VAL  QG1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
 igr2= 183, 184, 185,
 /
#
#  16 ASP  HN        13 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
 igr2= 187, 188, 189,
 /
#
#  16 ASP  HN        13 VAL  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 179, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  16 ASP  HA        16 ASP  HB2        4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 227, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  /
#
#  16 ASP  HA        16 ASP  HB3        3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 228, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  /
#
#  16 ASP  HB2       16 ASP  HN         4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 223, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  /
#
#  16 ASP  HB3       16 ASP  HN         4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 223, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  /
#
#  17 LEU  HN        16 ASP  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 225, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  17 LEU  HN        16 ASP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 LEU  HN        16 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 227, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  17 LEU  HN        17 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  17 LEU  HB2       17 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 244, 245, 246,
 /
#
#  17 LEU  HN        17 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 248, 249, 250,
 /
#
#  17 LEU  HN        17 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 244, 245, 246,
 /
#
#  17 LEU  HG        17 LEU  QD1        3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 244, 245, 246,
 /
#
#  17 LEU  HG        17 LEU  QD2        3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 248, 249, 250,
 /
#
#  17 LEU  HB3       17 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 248, 249, 250,
 /
#
#  17 LEU  HB2       17 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 248, 249, 250,
 /
#
#  17 LEU  HB3       17 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 244, 245, 246,
 /
#
#  17 LEU  QD1       17 LEU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 3.30, r2= 3.80, r3= 7.21, r4= 7.71,
 igr1= 244, 245, 246,
 /
#
#  17 LEU  HN        17 LEU  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 239, 240,
 /
#
#  17 LEU  HN        18 LEU  QQD        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2= 263, 264, 265, 267, 268, 269,
 /
#
#  17 LEU  HN        30 ALA  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 467, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,  /
#
#  17 LEU  HN        30 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 235,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
 igr2= 471, 472, 473,
 /
#
#  17 LEU  QD2       38 GLU  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 248, 249, 250,
 igr2= 580, 581,
 /
#
#  17 LEU  QD1       38 GLU  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 244, 245, 246,
 igr2= 580, 581,
 /
#
#  18 LEU  QD1       12 TYR  QD         7.00 -> 6.00 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
 igr1= 263, 264, 265,
 igr2= 164, 173,
 /
#
#  18 LEU  QD1       12 TYR  QE         6.50 -> 5.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
 igr1= 263, 264, 265,
 igr2= 166, 171,
 /
#
#  18 LEU  QD2       12 TYR  QE         7.00 -> 5.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,
 igr1= 267, 268, 269,
 igr2= 166, 171,
 /
#
#  18 LEU  QD2       16 ASP  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 267, 268, 269,
 /
#
#  18 LEU  QD2       16 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 267, 268, 269,
 /
#
#  18 LEU  QD1       16 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 263, 264, 265,
 /
#
#  18 LEU  QD1       16 ASP  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 263, 264, 265,
 /
#
#  18 LEU  QD2       16 ASP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 267, 268, 269,
 /
#
#  18 LEU  HN        17 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 244, 245, 246,
 /
#
#  18 LEU  HG        18 LEU  QD1        4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 263, 264, 265,
 /
#
#  18 LEU  HB3       18 LEU  QD1        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 263, 264, 265,
 /
#
#  18 LEU  HG        18 LEU  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 258, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  18 LEU  HB3       18 LEU  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  18 LEU  HG        18 LEU  HB3        3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  /
#
#  18 LEU  HG        18 LEU  QD2        3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 267, 268, 269,
 /
#
#  18 LEU  HB2       18 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 267, 268, 269,
 /
#
#  18 LEU  HB3       18 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 267, 268, 269,
 /
#
#  18 LEU  HB2       18 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 263, 264, 265,
 /
#
#  18 LEU  HA        18 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 267, 268, 269,
 /
#
#  18 LEU  HA        18 LEU  HB2        4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  /
#
#  18 LEU  HG        18 LEU  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  18 LEU  HA        18 LEU  HG         4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 261, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  /
#
#  18 LEU  HA        18 LEU  HB3        4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 259, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  /
#
#  18 LEU  HA        18 LEU  HN         4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  /
#
#  18 LEU  HA        18 LEU  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 263, 264, 265,
 /
#
#  18 LEU  HA        19 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 279, 280, 281,
 /
#
#  18 LEU  QD1       27 TRP  HE3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 263, 264, 265,
 /
#
#  18 LEU  QD2       27 TRP  HE3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 267, 268, 269,
 /
#
#  18 LEU  HB2       27 TRP  HZ3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 426, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  18 LEU  QB        27 TRP  HH2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 258, 259,
 /
#
#  18 LEU  HB3       27 TRP  HZ3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 426, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  18 LEU  HA        27 TRP  HE3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  18 LEU  QB        27 TRP  HE3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 258, 259,
 /
#
#  18 LEU  HA        29 HIE  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 463, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  18 LEU  QD1       29 HIE  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 263, 264, 265,
 /
#
#  18 LEU  HA        30 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 471, 472, 473,
 /
#
#  19 ILE  QG2       17 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 279, 280, 281,
 igr2= 244, 245, 246,
 /
#
#  19 ILE  HN        18 LEU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 ILE  HN        18 LEU  QQD        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 263, 264, 265, 267, 268, 269,
 /
#
#  19 ILE  HN        18 LEU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 ILE  HN        18 LEU  HA         3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 256, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  /
#
#  19 ILE  HN        18 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  19 ILE  QG2       19 ILE  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  HB        19 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 286, 287, 288,
 /
#
#  19 ILE  QG2       19 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  QG2       19 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 279, 280, 281,
 igr2= 286, 287, 288,
 /
#
#  19 ILE  HN        19 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 ILE  QG2       19 ILE  HG12       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  HN        19 ILE  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 279, 280, 281,
 /
#
#  19 ILE  HN        19 ILE  HG13       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 284, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 ILE  HN        19 ILE  HG12       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 283, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  19 ILE  HG12      19 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  19 ILE  HG12      19 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 286, 287, 288,
 /
#
#  19 ILE  HG13      19 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 286, 287, 288,
 /
#
#  19 ILE  HN        27 TRP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  19 ILE  HN        27 TRP  HE3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 273, 428, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  19 ILE  QG2       28 MET  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  QG2       28 MET  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  HN        28 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 444, 445, 446,
 /
#
#  19 ILE  HN        28 MET  QG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 440, 441,
 /
#
#  19 ILE  QG2       30 ALA  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 279, 280, 281,
 igr2= 471, 472, 473,
 /
#
#  19 ILE  HN        30 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 471, 472, 473,
 /
#
#  19 ILE  QG2       33 GLU  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 501, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  QG2       33 GLU  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 279, 280, 281,
 /
#
#  19 ILE  QG2       35 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 279, 280, 281,
 igr2= 533, 534, 535,
 /
#
#  19 ILE  QD1       35 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 286, 287, 288,
 igr2= 533, 534, 535,
 /
#
#  19 ILE  QD1       35 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 286, 287, 288,
 igr2= 529, 530, 531,
 /
#
#  19 ILE  QG2       41 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 279, 280, 281,
 igr2= 618, 619, 620,
 /
#
#  19 ILE  HG12      41 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 618, 619, 620,
 /
#
#  19 ILE  HG13      41 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 618, 619, 620,
 /
#
#  19 ILE  QD1       41 VAL  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 286, 287, 288,
 /
#
#  19 ILE  HN        41 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 273,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 618, 619, 620,
 /
#
#  19 ILE  QD1       44 ALA  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 286, 287, 288,
 igr2= 664, 665, 666,
 /
#
#  19 ILE  QG2       44 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 279, 280, 281,
 igr2= 664, 665, 666,
 /
#
#  19 ILE  HG12      45 ALA  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 674, 675, 676,
 /
#
#  19 ILE  QD1       45 ALA  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 286, 287, 288,
 /
#
#  19 ILE  QD1       45 ALA  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 286, 287, 288,
 igr2= 674, 675, 676,
 /
#
#  19 ILE  HG13      49 PHE  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 722, 730,
 /
#
#  19 ILE  QG2       49 PHE  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 279, 280, 281,
 igr2= 722, 730,
 /
#
#  19 ILE  HG12      49 PHE  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 722, 730,
 /
#
#  19 ILE  QD1       49 PHE  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 286, 287, 288,
 igr2= 722, 730,
 /
#
#  19 ILE  QD1       49 PHE  HZ         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 286, 287, 288,
 /
#
#  19 ILE  QD1       49 PHE  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 286, 287, 288,
 igr2= 718, 719,
 /
#
#  20 GLN  HN        19 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 286, 287, 288,
 /
#
#  20 GLN  HN        19 ILE  HG12       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 GLN  HN        19 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 279, 280, 281,
 /
#
#  20 GLN  HN        19 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 GLN  HN        19 ILE  HG13       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 GLN  HG2       20 GLN  QB         4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 296, 297,
 /
#
#  20 GLN  HG3       20 GLN  QB         4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 296, 297,
 /
#
#  20 GLN  HG3       20 GLN  HA         5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 294, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  /
#
#  20 GLN  HN        20 GLN  QB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 296, 297,
 /
#
#  20 GLN  HN        20 GLN  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 GLN  HN        20 GLN  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  20 GLN  HE21      20 GLN  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 GLN  HE22      20 GLN  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 GLN  HE21      20 GLN  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 GLN  QE2       20 GLN  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 304, 305,
 igr2= 296, 297,
 /
#
#  20 GLN  HE22      20 GLN  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 GLN  HE22      25 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  20 GLN  HE22      25 GLU  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 375, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  HE21      25 GLU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  HE21      25 GLU  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 375, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  HE21      25 GLU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 374, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  20 GLN  HE22      25 GLU  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  20 GLN  HE22      25 GLU  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 377, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  20 GLN  HE21      25 GLU  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 377, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  20 GLN  HG2       25 GLU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  20 GLN  HG3       25 GLU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  HE21      25 GLU  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  20 GLN  HE22      25 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 374, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  QB        27 TRP  HH2        7.00 -> 6.5 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 296, 297,
 /
#
#  20 GLN  HG2       27 TRP  HH2        7.00 -> 5.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
 igr1= 299, 300,
 /
#
#  20 GLN  HG2       27 TRP  HZ3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 426, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  HA        27 TRP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 411, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  20 GLN  HE21      27 TRP  HZ2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 422, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  20 GLN  HA        28 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 444, 445, 446,
 /
#
#  20 GLN  HA        49 PHE  HZ         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  21 CY1  HN        19 ILE  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 279, 280, 281,
 /
#
#  21 CY1  HN        20 GLN  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 CY1  HN        20 GLN  HE22       6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 305, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  /
#
#  21 CY1  HN        20 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 CY1  HN        20 GLN  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 296, 297,
 /
#
#  21 CY1  HN        20 GLN  HN         5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 292, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,  /
#
#  21 CY1  HN        20 GLN  HA         3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 294, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  /
#
#  21 CY1  HB2       21 CY1  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 CY1  HB3       21 CY1  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 CY1  HN        21 CY1  HB3        3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 313, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  /
#
#  21 CY1  HN        21 CY1  HB2        3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  /
#
#  21 CY1  HN        22 ARG  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  21 CY1  HN        24 CY1  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 360, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 CY1  HN        25 GLU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 372, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  21 CY1  HN        25 GLU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 370, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  21 CY1  HN        26 ARG  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  21 CY1  HN        27 TRP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 411, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  21 CY1  HB2       28 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 444, 445, 446,
 /
#
#  21 CY1  HN        28 MET  QE         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 444, 445, 446,
 /
#
#  21 CY1  HB3       28 MET  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 444, 445, 446,
 /
#
#  21 CY1  HB3       49 PHE  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 722, 730,
 /
#
#  21 CY1  HN        49 PHE  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 722, 730,
 /
#
#  21 CY1  HN        51 CY1  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 746, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  22 ARG  HN        21 CY1  HA         4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 311, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  /
#
#  22 ARG  HN        21 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  22 ARG  HN        21 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  22 ARG  HN        22 ARG  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  22 ARG  HD3       22 ARG  HG2        4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 326, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  /
#
#  22 ARG  HD2       22 ARG  HG2        3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 326, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  /
#
#  22 ARG  HD2       22 ARG  HB3        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 324, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  /
#
#  22 ARG  HN        22 ARG  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 330, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  22 ARG  HN        22 ARG  HA         4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  /
#
#  22 ARG  HB2       22 ARG  HG3        4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 327, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  /
#
#  22 ARG  HA        22 ARG  HB3        3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 324, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  /
#
#  22 ARG  HB2       22 ARG  HG2        4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 326, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  /
#
#  22 ARG  HD2       22 ARG  HB2        3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 323, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  /
#
#  22 ARG  HA        22 ARG  HB2        3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  /
#
#  22 ARG  HN        22 ARG  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 327, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  22 ARG  HN        22 ARG  HB2        4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  /
#
#  22 ARG  HD3       22 ARG  HB2        4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 323, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  /
#
#  22 ARG  HA        22 ARG  QD         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 329, 330,
 /
#
#  22 ARG  HA        22 ARG  HG3        5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 327, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  /
#
#  22 ARG  HD3       22 ARG  HG3        4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 327, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  /
#
#  22 ARG  HN        22 ARG  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 329, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  22 ARG  HD3       22 ARG  HB3        3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 324, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  /
#
#  22 ARG  HA        22 ARG  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  22 ARG  HD2       22 ARG  HG3        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 327, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  /
#
#  22 ARG  HN        22 ARG  HB3        4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  /
#
#  22 ARG  HN        25 GLU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 372, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  22 ARG  HN        49 PHE  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 730,
 /
#
#  22 ARG  HN        50 ASP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 736, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  23 HIE  HN        21 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 HIE  HN        21 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 314, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 HIE  HN        22 ARG  HA         4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 321, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  /
#
#  23 HIE  HN        22 ARG  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  23 HIE  HN        22 ARG  HB2        4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 323, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  /
#
#  23 HIE  HN        22 ARG  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 324, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  23 HIE  HN        22 ARG  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 327, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  23 HIE  HN        22 ARG  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  23 HIE  HA        23 HIE  HD2        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 356, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  /
#
#  23 HIE  HB2       23 HIE  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  23 HIE  HB3       23 HIE  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 356, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  23 HIE  HA        23 HIE  HB3        4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 348, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  /
#
#  23 HIE  HN        23 HIE  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 348, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  23 HIE  HN        23 HIE  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  23 HIE  HN        23 HIE  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 356, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 HIE  HN        25 GLU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 372, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  23 HIE  HN        25 GLU  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  23 HIE  HN        50 ASP  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 736, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  23 HIE  HD2       54 CY1  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 788, 787,
 /
#
#  23 HIE  HB2       54 CY1  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 788, 787,
 /
#
#  24 CY1  HN        21 CY1  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 CY1  HN        21 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 CY1  HN        22 ARG  HA         5.95
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 321, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  /
#
#  24 CY1  HA        23 HIE  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  24 CY1  HN        23 HIE  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  24 CY1  HN        23 HIE  HN         3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 343, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  /
#
#  24 CY1  HN        23 HIE  HA         5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 345, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  /
#
#  24 CY1  HN        23 HIE  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 356, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  24 CY1  HN        23 HIE  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  24 CY1  HA        24 CY1  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  24 CY1  HN        24 CY1  HB2        4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  /
#
#  24 CY1  HA        24 CY1  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  24 CY1  HN        24 CY1  HB3        4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  /
#
#  24 CY1  HN        24 CY1  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 CY1  HN        25 GLU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  24 CY1  HN        25 GLU  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  24 CY1  HN        25 GLU  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 377, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HN        20 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  25 GLU  HN        20 GLN  QG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 299, 300,
 /
#
#  25 GLU  HN        21 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  25 GLU  HN        21 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  25 GLU  HN        22 ARG  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 319, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HN        22 ARG  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 321, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HN        23 HIE  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 345, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  25 GLU  HN        23 HIE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 347, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HN        23 HIE  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 348, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HN        23 HIE  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  25 GLU  HN        24 CY1  HB2        5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 365, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  /
#
#  25 GLU  HN        24 CY1  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 362, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  25 GLU  HN        24 CY1  HB3        5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 364, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  /
#
#  25 GLU  HG3       25 GLU  HB2        3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  /
#
#  25 GLU  HG2       25 GLU  HB2        3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 374, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  /
#
#  25 GLU  HA        25 GLU  HB3        3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 375, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  /
#
#  25 GLU  HA        25 GLU  HB2        4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  /
#
#  25 GLU  HG3       25 GLU  HB3        3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 375, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  /
#
#  25 GLU  HA        25 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  25 GLU  HN        25 GLU  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  25 GLU  HG2       25 GLU  HB3        3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 375, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  /
#
#  25 GLU  HN        25 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  25 GLU  HA        25 GLU  HG3        4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 378, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  /
#
#  25 GLU  HN        25 GLU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  25 GLU  HN        25 GLU  HA         3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 372, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  /
#
#  25 GLU  HN        25 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  25 GLU  HB2       26 ARG  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 396, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HB2       26 ARG  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  25 GLU  HA        28 MET  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 444, 445, 446,
 /
#
#  25 GLU  HN        28 MET  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 444, 445, 446,
 /
#
#  26 ARG  HN        20 GLN  QG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 299, 300,
 /
#
#  26 ARG  HN        21 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 314, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  26 ARG  HN        21 CY1  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 313, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  26 ARG  HN        23 HIE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 343, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  26 ARG  HN        24 CY1  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 364, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  26 ARG  HN        24 CY1  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 365, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  26 ARG  HN        24 CY1  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 360, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  26 ARG  HN        25 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  26 ARG  HN        25 GLU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 ARG  HN        25 GLU  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 372, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  26 ARG  HN        26 ARG  HD3        5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 396, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  /
#
#  26 ARG  HG3       26 ARG  HD2        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  /
#
#  26 ARG  HB2       26 ARG  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 ARG  HG2       26 ARG  HD2        4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 395, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  /
#
#  26 ARG  HG3       26 ARG  HD3        4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 396, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  /
#
#  26 ARG  HN        26 ARG  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 ARG  HG2       26 ARG  HD3        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  /
#
#  26 ARG  HN        26 ARG  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 ARG  HA        26 ARG  HG3        4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 393, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  /
#
#  26 ARG  HN        26 ARG  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  26 ARG  HB3       26 ARG  HD2        4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  /
#
#  26 ARG  HA        26 ARG  HB2        4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 389, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  /
#
#  26 ARG  HB3       26 ARG  HD3        5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 396, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  /
#
#  26 ARG  HA        26 ARG  HB3        4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 390, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  /
#
#  26 ARG  HB2       26 ARG  HD3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  26 ARG  HA        26 ARG  HD2        5.93
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  /
#
#  26 ARG  HN        26 ARG  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 389, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  26 ARG  HN        26 ARG  HA         4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  /
#
#  26 ARG  HN        26 ARG  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 395, 396,
 /
#
#  26 ARG  HA        27 TRP  HN         3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 409, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  /
#
#  26 ARG  HN        28 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 444, 445, 446,
 /
#
#  26 ARG  HA        28 MET  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 444, 445, 446,
 /
#
#  27 TRP  HZ2        2 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2=  26,  27,  28,
 /
#
#  27 TRP  HN         2 LEU  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  17, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,  /
#
#  27 TRP  HD1        2 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2=  22,  23,  24,
 /
#
#  27 TRP  HE1        2 LEU  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2=  22,  23,  24,
 /
#
#  27 TRP  HD1        2 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2=  26,  27,  28,
 /
#
#  27 TRP  HB3        2 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr2=  26,  27,  28,
 /
#
#  27 TRP  HE1        2 LEU  QD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
 igr2=  26,  27,  28,
 /
#
#  27 TRP  HE1        2 LEU  HG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  20, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,  /
#
#  27 TRP  HD1       18 LEU  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 258, 259,
 /
#
#  27 TRP  HB3       18 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 267, 268, 269,
 /
#
#  27 TRP  HB2       18 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 413,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 267, 268, 269,
 /
#
#  27 TRP  HZ2       20 GLN  QB         7.00 -> 6.0 (aro)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 296, 297,
 /
#
#  27 TRP  HE1       20 GLN  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 300, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 TRP  HE1       20 GLN  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 299, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  27 TRP  HE1       20 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 TRP  HE1       20 GLN  HE21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 TRP  HN        20 GLN  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 294, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 TRP  HE1       25 GLU  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  27 TRP  HN        25 GLU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 372, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 TRP  HN        26 ARG  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 TRP  HN        26 ARG  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 TRP  HN        26 ARG  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 TRP  HN        26 ARG  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 TRP  HN        26 ARG  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 TRP  HN        27 TRP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 411, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 TRP  HZ2       27 TRP  HH2        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  /
#
#  27 TRP  HZ2       27 TRP  HZ3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  27 TRP  HB2       27 TRP  HE3        4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 428, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  /
#
#  27 TRP  HE3       27 TRP  HZ3        3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  /
#
#  27 TRP  HZ3       27 TRP  HH2        3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 424, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  /
#
#  27 TRP  HB3       27 TRP  HE3        4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 428, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  /
#
#  27 TRP  HA        27 TRP  HE3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  27 TRP  HD1       27 TRP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 TRP  HD1       27 TRP  HB3        4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 414, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  /
#
#  27 TRP  HD1       27 TRP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  27 TRP  HB2       27 TRP  HA         4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 411, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  /
#
#  27 TRP  HB3       27 TRP  HA         3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 411, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  /
#
#  27 TRP  HN        27 TRP  HB2        3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 413, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  /
#
#  27 TRP  HE1       27 TRP  HN         5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 409, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  /
#
#  27 TRP  HE1       27 TRP  HB2        5.96
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 413, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,  /
#
#  27 TRP  HN        27 TRP  HZ2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  27 TRP  HE1       27 TRP  HB3        6.64
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 414, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,  /
#
#  27 TRP  HE1       27 TRP  HZ2        3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 422, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  /
#
#  27 TRP  HE1       27 TRP  HD1        3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 417, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  /
#
#  27 TRP  HN        27 TRP  HD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  27 TRP  HN        27 TRP  HB3        3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  /
#
#  28 MET  HA         5 CY2  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  28 MET  QE         7 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 444, 445, 446,
 igr2=  99, 100, 101,
 /
#
#  28 MET  HG2        7 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 440,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  99, 100, 101,
 /
#
#  28 MET  HG3        7 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  99, 100, 101,
 /
#
#  28 MET  HA         7 ILE  HN         7.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  86, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,  /
#
#  28 MET  HA        12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 166, 171,
 /
#
#  28 MET  QE        19 ILE  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 444, 445, 446,
 igr2= 279, 280, 281,
 /
#
#  28 MET  HN        19 ILE  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  28 MET  HN        19 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 279, 280, 281,
 /
#
#  28 MET  HA        20 GLN  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 294, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 MET  QE        26 ARG  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 444, 445, 446,
 /
#
#  28 MET  HN        27 TRP  HE3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  28 MET  QE        27 TRP  HA         5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 444, 445, 446,
 /
#
#  28 MET  HN        27 TRP  HA         3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 411, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  /
#
#  28 MET  HG3       27 TRP  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 411, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  28 MET  HN        27 TRP  HB3        5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 414, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  /
#
#  28 MET  QE        28 MET  HG2        3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 440, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 444, 445, 446,
 /
#
#  28 MET  QE        28 MET  HG3        3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 444, 445, 446,
 /
#
#  28 MET  HA        28 MET  HB3        3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 438, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  /
#
#  28 MET  HN        28 MET  HG2        4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 440, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  /
#
#  28 MET  HA        28 MET  HB2        3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  /
#
#  28 MET  HA        28 MET  HG3        4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 441, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  /
#
#  28 MET  HA        28 MET  QE         5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 444, 445, 446,
 /
#
#  28 MET  HA        28 MET  HG2        5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  /
#
#  28 MET  HN        28 MET  HG3        4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 441, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  /
#
#  28 MET  HN        28 MET  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 444, 445, 446,
 /
#
#  28 MET  QE        49 PHE  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 444, 445, 446,
 igr2= 722, 730,
 /
#
#  28 MET  QE        51 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 444, 445, 446,
 /
#
#  28 MET  QE        51 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 444, 445, 446,
 /
#
#  29 HIE  HN         5 CY2  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  66, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HN         5 CY2  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  67, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HN         7 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  99, 100, 101,
 /
#
#  29 HIE  HN         7 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  90, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HE1       10 ALA  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HD2       12 TYR  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 463,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 164, 173,
 /
#
#  29 HIE  HE1       12 TYR  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 164, 173,
 /
#
#  29 HIE  HE1       12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 459,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 166, 171,
 /
#
#  29 HIE  HN        12 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 166, 171,
 /
#
#  29 HIE  HD2       16 ASP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HD2       16 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HN        18 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 263, 264, 265,
 /
#
#  29 HIE  HN        27 TRP  HE3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HN        28 MET  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 HIE  HN        28 MET  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HN        28 MET  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 441, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 HIE  HN        28 MET  HA         4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 435, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  /
#
#  29 HIE  HN        28 MET  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HB3       29 HIE  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HD2       29 HIE  HE1        4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 459, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  /
#
#  29 HIE  HB2       29 HIE  HD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HN        29 HIE  HB2        3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  /
#
#  29 HIE  HN        29 HIE  HB3        4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  /
#
#  29 HIE  HN        29 HIE  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  29 HIE  HB3       30 ALA  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  29 HIE  HN        30 ALA  HN         4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  /
#
#  29 HIE  HB3       31 GLY  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  29 HIE  HB3       32 CY2  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 489, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  29 HIE  HB2       32 CY2  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 489, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  29 HIE  HB2       32 CY2  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 488, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HB3       32 CY2  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 488, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  29 HIE  HB2       32 CY2  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  29 HIE  HN        32 CY2  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 484, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  29 HIE  HB3       32 CY2  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  29 HIE  HN        32 CY2  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 489, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ALA  HN        17 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 244, 245, 246,
 /
#
#  30 ALA  HN        17 LEU  HG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 242, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ALA  QB        17 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 471, 472, 473,
 igr2= 248, 249, 250,
 /
#
#  30 ALA  QB        17 LEU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 471, 472, 473,
 /
#
#  30 ALA  QB        17 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 471, 472, 473,
 /
#
#  30 ALA  HN        18 LEU  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 254, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ALA  HN        18 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 263, 264, 265,
 /
#
#  30 ALA  HA        18 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 256, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ALA  HN        18 LEU  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 256, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  30 ALA  HN        18 LEU  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 259, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ALA  HN        18 LEU  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ALA  HN        18 LEU  HG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 261, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ALA  QB        19 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 471, 472, 473,
 igr2= 286, 287, 288,
 /
#
#  30 ALA  HA        19 ILE  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 277, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  30 ALA  HA        19 ILE  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 279, 280, 281,
 /
#
#  30 ALA  HA        19 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 286, 287, 288,
 /
#
#  30 ALA  QB        19 ILE  HB         7.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 471, 472, 473,
 /
#
#  30 ALA  HN        19 ILE  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 279, 280, 281,
 /
#
#  30 ALA  HA        19 ILE  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ALA  HN        19 ILE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  30 ALA  HN        29 HIE  HD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  30 ALA  HN        30 ALA  HA         3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 469, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  /
#
#  30 ALA  HA        30 ALA  QB         3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 471, 472, 473,
 /
#
#  30 ALA  HN        30 ALA  QB         3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 471, 472, 473,
 /
#
#  30 ALA  HA        33 GLU  HN         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 494, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  /
#
#  30 ALA  QB        35 LEU  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 471, 472, 473,
 /
#
#  30 ALA  QB        35 LEU  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 471, 472, 473,
 /
#
#  30 ALA  HA        35 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 533, 534, 535,
 /
#
#  30 ALA  HA        35 LEU  HG         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 527, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  30 ALA  QB        35 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 471, 472, 473,
 igr2= 533, 534, 535,
 /
#
#  30 ALA  QB        41 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 471, 472, 473,
 igr2= 622, 623, 624,
 /
#
#  30 ALA  HA        41 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 622, 623, 624,
 /
#
#  31 GLY  HN        18 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 256, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  31 GLY  HN        19 ILE  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 273, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  31 GLY  HN        30 ALA  QB         4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 471, 472, 473,
 /
#
#  31 GLY  HN        30 ALA  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  31 GLY  HN        30 ALA  HN         4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 467, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  /
#
#  31 GLY  HN        31 GLY  HA2        4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 479, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  /
#
#  31 GLY  HN        31 GLY  HA3        3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 480, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  /
#
#  31 GLY  HN        33 GLU  HN         5.62
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 494, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  /
#
#  32 CY2  HB3        7 ILE  HG13       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 CY2  HB3        7 ILE  HB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  90, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  32 CY2  HB2        7 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 /
#
#  32 CY2  HB2        7 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  90, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  32 CY2  HB3        7 ILE  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  92,  93,  94,
 /
#
#  32 CY2  HB3        7 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  99, 100, 101,
 /
#
#  32 CY2  HB3        7 ILE  HG12       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  96, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  32 CY2  HB2        7 ILE  QD1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  99, 100, 101,
 /
#
#  32 CY2  HN         7 ILE  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  90, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  32 CY2  HN         7 ILE  QD1        5005.50
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3=6011.29, r4=6011.79,
 igr2=  99, 100, 101,
 /
#
#  32 CY2  HN         7 ILE  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  92,  93,  94,
 /
#
#  32 CY2  HN        30 ALA  QB         4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 471, 472, 473,
 /
#
#  32 CY2  HN        30 ALA  HN         5.58
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 467, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  /
#
#  32 CY2  HN        31 GLY  HA3        5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 480, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  /
#
#  32 CY2  HN        31 GLY  HN         4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 477, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  /
#
#  32 CY2  HN        31 GLY  HA2        4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 479, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  /
#
#  32 CY2  HB3       32 CY2  HA         3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  /
#
#  32 CY2  HB2       32 CY2  HA         4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 486, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  /
#
#  32 CY2  HN        32 CY2  HB2        3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  /
#
#  32 CY2  HN        32 CY2  HB3        4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  /
#
#  32 CY2  HN        32 CY2  HA         4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 486, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  /
#
#  32 CY2  HA        33 GLU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 496, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,  /
#
#  32 CY2  HA        33 GLU  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 502, r1= 3.30, r2= 3.80, r3= 6.60, r4= 7.10,  /
#
#  32 CY2  HN        33 GLU  HN         3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 494, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  /
#
#  32 CY2  HN        33 GLU  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 498, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  33 GLU  HN         7 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2=  99, 100, 101,
 /
#
#  33 GLU  HN        30 ALA  QB         6.29
 &rst
  ixpk= 0, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 471, 472, 473,
 /
#
#  33 GLU  HN        32 CY2  HB2        4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 489, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  /
#
#  33 GLU  HN        32 CY2  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  33 GLU  HN        32 CY2  HB3        5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 488, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  /
#
#  33 GLU  HB2       33 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  33 GLU  HB3       33 GLU  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  33 GLU  HB3       33 GLU  HG2        4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 501, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  /
#
#  33 GLU  HB3       33 GLU  HG3        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 502, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  /
#
#  33 GLU  HB2       33 GLU  HG3        4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 502, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  /
#
#  33 GLU  HA        33 GLU  HG3        5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 502, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  /
#
#  33 GLU  HA        33 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  33 GLU  HN        33 GLU  HG2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 501, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  /
#
#  33 GLU  HB2       33 GLU  HG2        4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 501, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  /
#
#  33 GLU  HN        33 GLU  HA         4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  /
#
#  33 GLU  HN        33 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  33 GLU  HN        33 GLU  HB3        4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 499, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  /
#
#  33 GLU  HN        33 GLU  HB2        3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  /
#
#  33 GLU  HN        34 SER  HA         5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 511, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  /
#
#  33 GLU  HG2       49 PHE  HZ         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  33 GLU  HB3       49 PHE  HZ         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 726, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  33 GLU  HG2       49 PHE  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 724, 728,
 /
#
#  33 GLU  HG3       49 PHE  HZ         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  33 GLU  HG3       49 PHE  QE         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 724, 728,
 /
#
#  33 GLU  QB        49 PHE  HZ         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 498, 499,
 /
#
#  34 SER  HN        31 GLY  HA3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 480, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,  /
#
#  34 SER  HN        31 GLY  HA2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 479, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,  /
#
#  34 SER  HN        32 CY2  HN         5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 484, r1= 2.30, r2= 2.80, r3= 5.72, r4= 6.22,  /
#
#  34 SER  HN        32 CY2  HA         5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 486, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  /
#
#  34 SER  HN        33 GLU  HA         4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 496, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  /
#
#  34 SER  HN        33 GLU  HB3        5.64
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 499, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  /
#
#  34 SER  HN        33 GLU  HB2        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 498, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  /
#
#  34 SER  HN        34 SER  HA         3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 511, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  /
#
#  34 SER  HA        34 SER  QB         4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 513, 514,
 /
#
#  34 SER  HN        34 SER  QB         4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 513, 514,
 /
#
#  34 SER  HN        35 LEU  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 522, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  35 LEU  HN        30 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 471, 472, 473,
 /
#
#  35 LEU  HN        31 GLY  HA2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 479, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  35 LEU  HN        31 GLY  HA3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 480, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  35 LEU  QD2       33 GLU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  HN        34 SER  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  35 LEU  HN        34 SER  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 3.30, r2= 3.80, r3= 6.73, r4= 7.23,
 igr2= 513, 514,
 /
#
#  35 LEU  QD1       35 LEU  QD2        3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 529, 530, 531,
 igr2= 533, 534, 535,
 /
#
#  35 LEU  QD2       35 LEU  HG         3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       35 LEU  HB3        4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       35 LEU  HB2        4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD1       35 LEU  HG         3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 529, 530, 531,
 /
#
#  35 LEU  HN        35 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 529, 530, 531,
 /
#
#  35 LEU  HG        35 LEU  HA         4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 522, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  /
#
#  35 LEU  HN        35 LEU  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  35 LEU  HA        35 LEU  HB3        4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 525, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  /
#
#  35 LEU  QD2       35 LEU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD1       35 LEU  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 529, 530, 531,
 /
#
#  35 LEU  HA        35 LEU  HB2        4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 524, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  /
#
#  35 LEU  HN        35 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 533, 534, 535,
 /
#
#  35 LEU  HN        35 LEU  HA         4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  /
#
#  35 LEU  HN        35 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  35 LEU  QD2       40 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD1       40 ASP  QB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 529, 530, 531,
 igr2= 604, 605,
 /
#
#  35 LEU  QD2       41 VAL  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       41 VAL  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       43 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       44 ALA  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       45 ALA  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 670, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 533, 534, 535,
 /
#
#  35 LEU  QD2       49 PHE  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 533, 534, 535,
 igr2= 724, 728,
 /
#
#  36 PHE  HN        35 LEU  HA         3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 522, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  /
#
#  36 PHE  HN        35 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 529, 530, 531,
 /
#
#  36 PHE  HN        35 LEU  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  36 PHE  HN        35 LEU  HG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  36 PHE  HA        36 PHE  QD         5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 547, 555,
 /
#
#  36 PHE  HA        36 PHE  QE         5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 549, 553,
 /
#
#  36 PHE  HB3       36 PHE  QD         3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 547, 555,
 /
#
#  36 PHE  HB2       36 PHE  QD         3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 547, 555,
 /
#
#  36 PHE  HN        36 PHE  HB3        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  /
#
#  36 PHE  QE        36 PHE  HB3        4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 549, 553,
 /
#
#  36 PHE  QE        36 PHE  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 549, 553,
 /
#
#  36 PHE  HN        36 PHE  HA         3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  /
#
#  36 PHE  HN        36 PHE  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 549, 553,
 /
#
#  36 PHE  HN        36 PHE  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 547, 555,
 /
#
#  36 PHE  HN        36 PHE  HB2        4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  /
#
#  36 PHE  HB3       37 THR  QG2        4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 565, 566, 567,
 /
#
#  36 PHE  HN        37 THR  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 565, 566, 567,
 /
#
#  36 PHE  HB2       37 THR  QG2        4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 565, 566, 567,
 /
#
#  36 PHE  HN        40 ASP  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  36 PHE  HN        40 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  36 PHE  HN        41 VAL  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  37 THR  HN        36 PHE  HA         4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 541, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  /
#
#  37 THR  HN        36 PHE  HB2        5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  37 THR  HN        36 PHE  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  37 THR  HB        37 THR  QG2        4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 565, 566, 567,
 /
#
#  37 THR  QG2       37 THR  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 565, 566, 567,
 /
#
#  37 THR  HN        37 THR  QG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 565, 566, 567,
 /
#
#  37 THR  HN        40 ASP  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  37 THR  HN        40 ASP  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  37 THR  HN        40 ASP  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 600, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  38 GLU  HA        17 LEU  QD2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 248, 249, 250,
 /
#
#  38 GLU  HA        17 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 244, 245, 246,
 /
#
#  38 GLU  HN        17 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 244, 245, 246,
 /
#
#  38 GLU  HN        17 LEU  QD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 248, 249, 250,
 /
#
#  38 GLU  HN        37 THR  QG2        5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 565, 566, 567,
 /
#
#  38 GLU  HN        37 THR  HB         5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 563, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  /
#
#  38 GLU  HN        38 GLU  QG         4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 580, 581,
 /
#
#  38 GLU  HN        38 GLU  HA         4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 575, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  /
#
#  38 GLU  HA        38 GLU  QG         3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 580, 581,
 /
#
#  38 GLU  HN        38 GLU  QB         3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 577, 578,
 /
#
#  38 GLU  HA        41 VAL  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 616, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  38 GLU  HA        41 VAL  QG1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 618, 619, 620,
 /
#
#  38 GLU  HA        41 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 622, 623, 624,
 /
#
#  38 GLU  HA        41 VAL  HN         4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 612, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  /
#
#  38 GLU  HN        41 VAL  HN         6.53
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 612, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,  /
#
#  38 GLU  HN        42 GLU  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 632, 633,
 /
#
#  39 ASP  HN        37 THR  HB         4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  /
#
#  39 ASP  HN        37 THR  QG2        4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 565, 566, 567,
 /
#
#  39 ASP  HN        38 GLU  QG         4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 580, 581,
 /
#
#  39 ASP  HN        38 GLU  QB         3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 577, 578,
 /
#
#  39 ASP  HN        38 GLU  HA         4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 575, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  /
#
#  39 ASP  HN        38 GLU  HN         4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 573, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  /
#
#  39 ASP  HA        39 ASP  HB3        3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 593, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  /
#
#  39 ASP  HA        39 ASP  HB2        3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  /
#
#  39 ASP  HN        39 ASP  HA         3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  /
#
#  39 ASP  HN        39 ASP  HB3        3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 593, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  /
#
#  39 ASP  HN        39 ASP  HB2        3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 592, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  /
#
#  39 ASP  HN        40 ASP  HN         3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  39 ASP  HA        42 GLU  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 632, 633,
 /
#
#  40 ASP  HB3       35 LEU  HG         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 605, 527, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  40 ASP  QB        35 LEU  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 604, 605,
 /
#
#  40 ASP  HA        35 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 529, 530, 531,
 /
#
#  40 ASP  HN        35 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 529, 530, 531,
 /
#
#  40 ASP  HN        37 THR  HB         5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 563, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  /
#
#  40 ASP  HN        37 THR  QG2        4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 565, 566, 567,
 /
#
#  40 ASP  HN        38 GLU  QG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 580, 581,
 /
#
#  40 ASP  HN        38 GLU  HA         4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 575, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  /
#
#  40 ASP  HN        39 ASP  HA         3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 590, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  /
#
#  40 ASP  HN        39 ASP  HB2        3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 592, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  /
#
#  40 ASP  HN        40 ASP  HB2        3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 604, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  /
#
#  40 ASP  HA        40 ASP  HB3        3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 605, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  /
#
#  40 ASP  HN        40 ASP  HA         3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  /
#
#  40 ASP  HN        40 ASP  HB3        3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 605, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  /
#
#  40 ASP  HN        41 VAL  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  40 ASP  HN        41 VAL  QG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 622, 623, 624,
 /
#
#  40 ASP  HN        41 VAL  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  40 ASP  HA        43 GLN  QE2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 655, 656,
 /
#
#  40 ASP  HA        43 GLN  HG3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 651, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  40 ASP  HA        43 GLN  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 650, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  41 VAL  HN        17 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 244, 245, 246,
 /
#
#  41 VAL  HN        17 LEU  QD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 248, 249, 250,
 /
#
#  41 VAL  HB        17 LEU  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 244, 245, 246,
 /
#
#  41 VAL  HB        17 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 248, 249, 250,
 /
#
#  41 VAL  HA        19 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 286, 287, 288,
 /
#
#  41 VAL  QG1       19 ILE  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 618, 619, 620,
 /
#
#  41 VAL  QG1       19 ILE  QD1        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 618, 619, 620,
 igr2= 286, 287, 288,
 /
#
#  41 VAL  HN        19 ILE  QD1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 286, 287, 288,
 /
#
#  41 VAL  QG2       35 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 622, 623, 624,
 igr2= 533, 534, 535,
 /
#
#  41 VAL  HA        35 LEU  QD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 533, 534, 535,
 /
#
#  41 VAL  HA        35 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 529, 530, 531,
 /
#
#  41 VAL  QG2       40 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 622, 623, 624,
 /
#
#  41 VAL  QG2       40 ASP  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 622, 623, 624,
 /
#
#  41 VAL  HN        40 ASP  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  41 VAL  HN        40 ASP  HA         4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  /
#
#  41 VAL  HN        40 ASP  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  41 VAL  HN        41 VAL  QG1        4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 618, 619, 620,
 /
#
#  41 VAL  QG1       41 VAL  HB         3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 618, 619, 620,
 /
#
#  41 VAL  QG2       41 VAL  HB         3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 622, 623, 624,
 /
#
#  41 VAL  HA        41 VAL  QG2        3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 622, 623, 624,
 /
#
#  41 VAL  HA        41 VAL  HB         4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 616, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  /
#
#  41 VAL  HA        41 VAL  QG1        3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 618, 619, 620,
 /
#
#  41 VAL  HA        41 VAL  HN         3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  /
#
#  41 VAL  HN        41 VAL  HB         3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  /
#
#  41 VAL  HN        41 VAL  QG2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 622, 623, 624,
 /
#
#  41 VAL  HA        43 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  41 VAL  HA        44 ALA  QB         4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 664, 665, 666,
 /
#
#  41 VAL  HA        44 ALA  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 662, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  41 VAL  QG2       44 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 622, 623, 624,
 igr2= 664, 665, 666,
 /
#
#  41 VAL  HN        44 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 664, 665, 666,
 /
#
#  41 VAL  HA        45 ALA  QB         6.38
 &rst
  ixpk= 0, nxpk= 0, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 674, 675, 676,
 /
#
#  41 VAL  QG1       45 ALA  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 618, 619, 620,
 igr2= 674, 675, 676,
 /
#
#  41 VAL  HB        45 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 674, 675, 676,
 /
#
#  42 GLU  HN        35 LEU  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 529, 530, 531,
 /
#
#  42 GLU  HN        38 GLU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  42 GLU  HN        39 ASP  HA         4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 590, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  /
#
#  42 GLU  HN        41 VAL  HB         4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 616, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  /
#
#  42 GLU  HN        41 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 618, 619, 620,
 /
#
#  42 GLU  HN        41 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 622, 623, 624,
 /
#
#  42 GLU  HN        41 VAL  HN         3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  /
#
#  42 GLU  HN        41 VAL  HA         4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 614, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  /
#
#  42 GLU  HA        42 GLU  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  42 GLU  HA        42 GLU  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 635, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  42 GLU  HN        42 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  42 GLU  HN        42 GLU  HA         4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 630, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  /
#
#  42 GLU  HN        42 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 636, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  42 GLU  HN        42 GLU  QB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 632, 633,
 /
#
#  42 GLU  HN        43 GLN  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  42 GLU  HN        43 GLN  QE2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 655, 656,
 /
#
#  42 GLU  HN        43 GLN  HN         3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 643, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  /
#
#  42 GLU  HN        45 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 674, 675, 676,
 /
#
#  43 GLN  HN        39 ASP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  HB2       40 ASP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  HB3       40 ASP  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  QE2       40 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 655, 656,
 /
#
#  43 GLN  HN        41 VAL  QQG        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 618, 619, 620, 622, 623, 624,
 /
#
#  43 GLN  HN        42 GLU  QB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 632, 633,
 /
#
#  43 GLN  HN        42 GLU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 630, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  HE21      42 GLU  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 632, 633,
 /
#
#  43 GLN  HN        43 GLN  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  HG2       43 GLN  HE21       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 655, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  /
#
#  43 GLN  HB3       43 GLN  HA         3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 645, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  /
#
#  43 GLN  HN        43 GLN  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 650, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  HG2       43 GLN  HE22       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 656, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  /
#
#  43 GLN  HB2       43 GLN  HA         3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 645, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  /
#
#  43 GLN  HG2       43 GLN  HB2        3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 647, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  /
#
#  43 GLN  QG        43 GLN  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 650, 651,
 /
#
#  43 GLN  HB2       43 GLN  HE21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 655, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 GLN  HG3       43 GLN  HE22       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  /
#
#  43 GLN  HN        43 GLN  QE2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 655, 656,
 /
#
#  43 GLN  HA        43 GLN  HE21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 655, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 GLN  HG3       43 GLN  HE21       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 655, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  /
#
#  43 GLN  HB2       43 GLN  HE22       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  43 GLN  HN        43 GLN  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  43 GLN  HN        43 GLN  HB2        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  43 GLN  HN        43 GLN  HB3        3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  43 GLN  HN        44 ALA  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 664, 665, 666,
 /
#
#  43 GLN  HA        47 GLU  HG3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  43 GLN  HA        47 GLU  HG2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 645, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 ALA  HN        19 ILE  QD1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 286, 287, 288,
 /
#
#  44 ALA  QB        35 LEU  QD2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 664, 665, 666,
 igr2= 533, 534, 535,
 /
#
#  44 ALA  QB        35 LEU  QD1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 664, 665, 666,
 igr2= 529, 530, 531,
 /
#
#  44 ALA  HN        35 LEU  QD2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 533, 534, 535,
 /
#
#  44 ALA  HN        35 LEU  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 529, 530, 531,
 /
#
#  44 ALA  HN        40 ASP  HB3        6.30
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 605, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  /
#
#  44 ALA  HN        40 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  44 ALA  HN        40 ASP  HA         5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 602, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  /
#
#  44 ALA  HN        41 VAL  HB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  44 ALA  HN        41 VAL  QG2        5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 622, 623, 624,
 /
#
#  44 ALA  HN        41 VAL  HA         4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  /
#
#  44 ALA  HN        42 GLU  HA         5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 630, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,  /
#
#  44 ALA  HN        42 GLU  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  44 ALA  HN        43 GLN  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  44 ALA  QB        43 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 664, 665, 666,
 /
#
#  44 ALA  HN        43 GLN  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  44 ALA  HN        43 GLN  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  44 ALA  HA        43 GLN  QE2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 655, 656,
 /
#
#  44 ALA  HN        43 GLN  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  44 ALA  HN        43 GLN  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  44 ALA  HN        43 GLN  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  44 ALA  HN        44 ALA  HA         3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 662, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  /
#
#  44 ALA  HN        44 ALA  QB         3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 664, 665, 666,
 /
#
#  44 ALA  QB        44 ALA  HA         3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 664, 665, 666,
 /
#
#  44 ALA  HN        45 ALA  QB         5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 660,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr2= 674, 675, 676,
 /
#
#  44 ALA  HN        45 ALA  HN         3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 670, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  /
#
#  44 ALA  HA        47 GLU  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 699, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 ALA  HA        47 GLU  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 /
#
#  44 ALA  HA        47 GLU  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  44 ALA  QB        49 PHE  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 664, 665, 666,
 igr2= 722, 730,
 /
#
#  44 ALA  QB        49 PHE  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 664, 665, 666,
 /
#
#  44 ALA  QB        49 PHE  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 664, 665, 666,
 /
#
#  45 ALA  HN        19 ILE  QD1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 286, 287, 288,
 /
#
#  45 ALA  HN        41 VAL  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 612, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  45 ALA  HN        41 VAL  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  45 ALA  HN        41 VAL  HB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  45 ALA  HN        41 VAL  QG1        4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 618, 619, 620,
 /
#
#  45 ALA  QB        42 GLU  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 674, 675, 676,
 /
#
#  45 ALA  HN        42 GLU  HA         4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 630, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  /
#
#  45 ALA  HN        43 GLN  HA         5.84
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 645, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  /
#
#  45 ALA  HN        44 ALA  HA         4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 662, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  /
#
#  45 ALA  HN        44 ALA  QB         3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 664, 665, 666,
 /
#
#  45 ALA  HA        45 ALA  QB         3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 674, 675, 676,
 /
#
#  45 ALA  HN        45 ALA  QB         3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 674, 675, 676,
 /
#
#  45 ALA  HN        45 ALA  HA         3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 672, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  /
#
#  45 ALA  HN        46 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 685, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  45 ALA  HN        46 ASP  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  45 ALA  HN        46 ASP  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  45 ALA  HA        49 PHE  QD         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 722, 730,
 /
#
#  45 ALA  HA        49 PHE  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  45 ALA  HA        49 PHE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  45 ALA  HN        49 PHE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 714, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,  /
#
#  46 ASP  HN        42 GLU  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 630, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 ASP  HN        43 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 655, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  46 ASP  HB2       43 GLN  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  46 ASP  HB3       43 GLN  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  46 ASP  HN        43 GLN  HE22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 656, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  46 ASP  HN        43 GLN  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 ASP  HN        44 ALA  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 664, 665, 666,
 /
#
#  46 ASP  HN        44 ALA  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 660, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  46 ASP  HA        45 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 674, 675, 676,
 /
#
#  46 ASP  HN        45 ALA  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 674, 675, 676,
 /
#
#  46 ASP  HB3       45 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 674, 675, 676,
 /
#
#  46 ASP  HN        45 ALA  HA         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 672, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 ASP  HB2       45 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 674, 675, 676,
 /
#
#  46 ASP  HN        45 ALA  HN         3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 670, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  /
#
#  46 ASP  HN        46 ASP  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 ASP  HA        46 ASP  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  46 ASP  HA        46 ASP  HB2        3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 684, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  /
#
#  46 ASP  HN        46 ASP  HA         3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 682, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  /
#
#  46 ASP  HN        46 ASP  HB3        3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  /
#
#  46 ASP  HB3       47 GLU  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 696, 697,
 /
#
#  46 ASP  HB2       47 GLU  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  46 ASP  HB3       47 GLU  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  46 ASP  HB2       47 GLU  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 684,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 696, 697,
 /
#
#  46 ASP  HN        47 GLU  HG3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  46 ASP  HN        47 GLU  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 696, 697,
 /
#
#  46 ASP  HN        47 GLU  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 699, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  46 ASP  HN        49 PHE  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 680, 714, r1= 3.30, r2= 3.80, r3= 6.50, r4= 7.00,  /
#
#  47 GLU  HN        43 GLN  QG         5.00 --> 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 650, 651,
 /
#
#  47 GLU  HN        44 ALA  HA         4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 662, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  /
#
#  47 GLU  HN        44 ALA  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 664, 665, 666,
 /
#
#  47 GLU  HN        44 ALA  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  47 GLU  HN        45 ALA  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 670, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  47 GLU  HN        45 ALA  QB         4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 674, 675, 676,
 /
#
#  47 GLU  HN        46 ASP  HB2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  47 GLU  HN        46 ASP  HA         3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 682, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  /
#
#  47 GLU  HN        46 ASP  HN         3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 680, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  /
#
#  47 GLU  HN        46 ASP  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  47 GLU  HA        47 GLU  QB         3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 694,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 696, 697,
 /
#
#  47 GLU  HA        47 GLU  HG2        3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 699, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  /
#
#  47 GLU  HN        47 GLU  HG2        3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 699, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  /
#
#  47 GLU  HN        47 GLU  HG3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  47 GLU  HN        47 GLU  QB         3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 696, 697,
 /
#
#  47 GLU  HA        47 GLU  HG3        4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 694, 700, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  /
#
#  47 GLU  HG3       47 GLU  QB         3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 696, 697,
 /
#
#  47 GLU  HN        47 GLU  HA         3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 694, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  /
#
#  47 GLU  HN        48 GLY  HN         3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 707, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  /
#
#  47 GLU  HN        48 GLY  HA2        5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 709, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  /
#
#  48 GLY  HN        22 ARG  HB2        7.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 323, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,  /
#
#  48 GLY  HA2       22 ARG  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 330, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  48 GLY  HA3       22 ARG  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 710,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 329, 330,
 /
#
#  48 GLY  HN        45 ALA  HA         5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 672, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  /
#
#  48 GLY  HN        45 ALA  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 674, 675, 676,
 /
#
#  48 GLY  HN        46 ASP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 685, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  48 GLY  HN        46 ASP  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 684, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  48 GLY  HN        46 ASP  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 680, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  48 GLY  HN        47 GLU  HA         3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 694, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  /
#
#  48 GLY  HN        47 GLU  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 696, 697,
 /
#
#  48 GLY  HN        47 GLU  HG3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  48 GLY  HN        47 GLU  HG2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  48 GLY  HN        48 GLY  HA3        3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 710, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  /
#
#  48 GLY  HN        48 GLY  HA2        3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 709, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  /
#
#  48 GLY  HN        49 PHE  HN         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 714, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,  /
#
#  49 PHE  HN        22 ARG  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 324, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  49 PHE  HN        45 ALA  HA         4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 672, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  /
#
#  49 PHE  HN        48 GLY  HA2        4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 709, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  /
#
#  49 PHE  HN        48 GLY  HA3        4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 710, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  /
#
#  49 PHE  HA        49 PHE  QE         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 724, 728,
 /
#
#  49 PHE  QE        49 PHE  HZ         4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 724, 728,
 /
#
#  49 PHE  QD        49 PHE  HB3        3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 722, 730,
 /
#
#  49 PHE  QD        49 PHE  HB2        3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 722, 730,
 /
#
#  49 PHE  HA        49 PHE  QD         3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 716,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 722, 730,
 /
#
#  49 PHE  HB2       49 PHE  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 724, 728,
 /
#
#  49 PHE  HB3       49 PHE  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 724, 728,
 /
#
#  49 PHE  HN        49 PHE  HB2        4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  /
#
#  49 PHE  HA        49 PHE  HB2        4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 718, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  /
#
#  49 PHE  HA        49 PHE  HB3        3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 719, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  /
#
#  49 PHE  HN        49 PHE  HB3        4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  /
#
#  50 ASP  HA        21 CY1  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 313, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  50 ASP  HA        22 ARG  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 326, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  50 ASP  HN        49 PHE  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 718, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  50 ASP  HA        49 PHE  QD         6.17
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 722, 730,
 /
#
#  50 ASP  HN        49 PHE  HA         3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 716, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  50 ASP  HA        49 PHE  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 716, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,  /
#
#  50 ASP  HN        49 PHE  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  50 ASP  HA        50 ASP  HB3        4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 739, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  /
#
#  50 ASP  HA        50 ASP  HB2        3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  /
#
#  50 ASP  HN        50 ASP  HA         4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  /
#
#  50 ASP  HN        50 ASP  HB3        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  /
#
#  50 ASP  HN        50 ASP  HB2        4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  /
#
#  50 ASP  HB2       51 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  50 ASP  HN        51 CY1  HN         5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 746, r1= 2.30, r2= 2.80, r3= 5.35, r4= 5.85,  /
#
#  50 ASP  HB2       54 CY1  QB         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 738,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 788, 787,
 /
#
#  50 ASP  HB3       54 CY1  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 739,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 788, 787,
 /
#
#  51 CY1  HN        21 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 313, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 CY1  HN        21 CY1  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 314, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 CY1  HN        22 ARG  HG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 326, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  51 CY1  HN        22 ARG  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 319, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 CY1  HN        23 HIE  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 347, 348,
 /
#
#  51 CY1  HA        28 MET  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 444, 445, 446,
 /
#
#  51 CY1  HN        28 MET  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 444, 445, 446,
 /
#
#  51 CY1  HA        49 PHE  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 724, 728,
 /
#
#  51 CY1  HB2       49 PHE  QE         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 724, 728,
 /
#
#  51 CY1  HA        49 PHE  HZ         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  51 CY1  HB2       49 PHE  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 722, 730,
 /
#
#  51 CY1  HB3       49 PHE  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 722, 730,
 /
#
#  51 CY1  HN        49 PHE  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 730,
 /
#
#  51 CY1  HN        50 ASP  HA         3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 736, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  /
#
#  51 CY1  HN        50 ASP  HB2        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 738, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  /
#
#  51 CY1  HN        50 ASP  HB3        4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 739, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  /
#
#  51 CY1  HN        51 CY1  HB3        4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 750, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  /
#
#  51 CY1  HA        51 CY1  HB3        3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 750, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  /
#
#  51 CY1  HA        51 CY1  HB2        4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 751, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  /
#
#  51 CY1  HN        51 CY1  HA         4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  /
#
#  51 CY1  HN        51 CY1  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 751, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  51 CY1  HB3       52 VAL  QG2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 3.30, r2= 3.80, r3= 7.70, r4= 8.20,
 igr2= 766, 767, 768,
 /
#
#  51 CY1  HA        52 VAL  HA         4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 758, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  /
#
#  51 CY1  HA        52 VAL  HN         3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 756, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  /
#
#  51 CY1  HA        52 VAL  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 760, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 CY1  HB3       52 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 750,  -1, r1= 3.30, r2= 3.80, r3= 7.70, r4= 8.20,
 igr2= 762, 763, 764,
 /
#
#  51 CY1  HN        52 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 756, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,  /
#
#  51 CY1  HN        52 VAL  HA         6.10
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 758, r1= 2.30, r2= 2.80, r3= 6.10, r4= 6.60,  /
#
#  51 CY1  HN        54 CY1  QB         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 788, 787,
 /
#
#  51 CY1  HN        54 CY1  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 783, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 CY1  HN        55 GLN  HE21       6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 805, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  51 CY1  HA        55 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  51 CY1  HN        55 GLN  QG         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 800, 801,
 /
#
#  51 CY1  HN        55 GLN  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 793, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  51 CY1  HN        58 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr2= 851, 852, 853, 855, 856, 857,
 /
#
#  52 VAL  HN        51 CY1  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  52 VAL  HN        51 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  52 VAL  HB        51 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  52 VAL  HN        52 VAL  QG1        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 762, 763, 764,
 /
#
#  52 VAL  HB        52 VAL  QG2        3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 766, 767, 768,
 /
#
#  52 VAL  HA        52 VAL  QG2        3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 766, 767, 768,
 /
#
#  52 VAL  HA        52 VAL  QG1        3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 762, 763, 764,
 /
#
#  52 VAL  HN        52 VAL  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  52 VAL  HA        52 VAL  HB         3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  /
#
#  52 VAL  HB        52 VAL  QG1        3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 762, 763, 764,
 /
#
#  52 VAL  HA        52 VAL  HN         4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  /
#
#  52 VAL  HN        52 VAL  QG2        4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 766, 767, 768,
 /
#
#  52 VAL  HA        55 GLN  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 798, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,  /
#
#  52 VAL  HA        55 GLN  QG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 758,  -1, r1= 2.30, r2= 2.80, r3= 6.17, r4= 6.67,
 igr2= 800, 801,
 /
#
#  52 VAL  HA        55 GLN  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 797, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,  /
#
#  52 VAL  HA        55 GLN  HE21       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 805, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,  /
#
#  52 VAL  HA        55 GLN  HE22       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 806, r1= 2.30, r2= 2.80, r3= 5.50, r4= 6.00,  /
#
#  52 VAL  HA        56 PRO  HD3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 758, 812, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,  /
#
#  53 SER  HN        51 CY1  HN         6.01
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 746, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  /
#
#  53 SER  HN        51 CY1  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  53 SER  HN        51 CY1  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 751, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  53 SER  QB        52 VAL  HB         5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 776, 777,
 /
#
#  53 SER  QB        52 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 776, 777,
 igr2= 766, 767, 768,
 /
#
#  53 SER  QB        52 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 776, 777,
 igr2= 762, 763, 764,
 /
#
#  53 SER  HN        52 VAL  HA         4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 758, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  /
#
#  53 SER  HA        52 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 766, 767, 768,
 /
#
#  53 SER  HA        52 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 762, 763, 764,
 /
#
#  53 SER  QB        52 VAL  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 758, r1= 3.30, r2= 3.80, r3= 7.30, r4= 7.80,
 igr1= 776, 777,
 /
#
#  53 SER  HN        52 VAL  HB         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 760, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 SER  HN        52 VAL  HN         4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  53 SER  HN        52 VAL  QG1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 762, 763, 764,
 /
#
#  53 SER  HN        52 VAL  QG2        4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 766, 767, 768,
 /
#
#  53 SER  HN        53 SER  HA         3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  /
#
#  53 SER  QB        53 SER  HA         3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 776, 777,
 /
#
#  53 SER  HN        53 SER  QB         3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 776, 777,
 /
#
#  53 SER  HN        54 CY1  QB         5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 788, 787,
 /
#
#  53 SER  QB        54 CY1  HN         3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 776, 777,
 /
#
#  53 SER  HN        54 CY1  HN         3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 783, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  /
#
#  53 SER  HN        55 GLN  HE22       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 806, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  53 SER  HN        55 GLN  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  53 SER  HN        55 GLN  HE21       7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 805, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  53 SER  HN        55 GLN  HB2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 797, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  53 SER  HA        56 PRO  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 811, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  53 SER  HA        56 PRO  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 812, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  53 SER  HN        56 PRO  HD3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 812, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HA        23 HIE  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  QB        23 HIE  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 788, 787,
 /
#
#  54 CY1  QB        50 ASP  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 788, 787,
 /
#
#  54 CY1  HN        50 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        51 CY1  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  54 CY1  HN        51 CY1  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 CY1  HA        52 VAL  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 756, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        52 VAL  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 758, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,  /
#
#  54 CY1  HN        52 VAL  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 766, 767, 768,
 /
#
#  54 CY1  HN        52 VAL  HB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 760, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        52 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 762, 763, 764,
 /
#
#  54 CY1  HN        52 VAL  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 756, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        53 SER  HA         4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 774, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  /
#
#  54 CY1  QB        54 CY1  HA         3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 788, 787,
 /
#
#  54 CY1  HN        54 CY1  QB         3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 788, 787,
 /
#
#  54 CY1  HN        54 CY1  HA         3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 785, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  /
#
#  54 CY1  QB        55 GLN  HA         5.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 788, 787,
 /
#
#  54 CY1  HN        55 GLN  QG         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 800, 801,
 /
#
#  54 CY1  HN        55 GLN  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 797, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        55 GLN  HA         5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 795, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  /
#
#  54 CY1  HN        55 GLN  HN         3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 793, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  /
#
#  54 CY1  HN        55 GLN  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  54 CY1  HA        56 PRO  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        56 PRO  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 811, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 CY1  HA        56 PRO  HD3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 812, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HN        56 PRO  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 812, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  54 CY1  HN        57 TYR  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 824, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  54 CY1  HA        57 TYR  QD         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 832, 841,
 /
#
#  54 CY1  HA        57 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 834, 839,
 /
#
#  54 CY1  HA        57 TYR  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 828, 829,
 /
#
#  54 CY1  HA        57 TYR  HN         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  54 CY1  QB        58 VAL  QQG        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 788, 787,
 igr2= 851, 852, 853, 855, 856, 857,
 /
#
#  54 CY1  HN        58 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr2= 851, 852, 853, 855, 856, 857,
 /
#
#  55 GLN  HA        50 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 739, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  55 GLN  QG        50 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 800, 801,
 /
#
#  55 GLN  HE22      50 ASP  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HE21      50 ASP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 739, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  55 GLN  HN        50 ASP  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 739, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  /
#
#  55 GLN  HN        50 ASP  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 736, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  55 GLN  HE21      51 CY1  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 751, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  55 GLN  HE21      51 CY1  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 750, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  55 GLN  HN        52 VAL  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 760, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,  /
#
#  55 GLN  QG        52 VAL  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr1= 800, 801,
 igr2= 766, 767, 768,
 /
#
#  55 GLN  QG        52 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3= 7.50, r4= 8.00,
 igr1= 800, 801,
 igr2= 762, 763, 764,
 /
#
#  55 GLN  HN        52 VAL  HA         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 758, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  55 GLN  HN        52 VAL  QG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
 igr2= 766, 767, 768,
 /
#
#  55 GLN  HN        52 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
 igr2= 762, 763, 764,
 /
#
#  55 GLN  HE22      52 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 3.30, r2= 3.80, r3= 7.21, r4= 7.71,
 igr2= 766, 767, 768,
 /
#
#  55 GLN  HE21      52 VAL  QG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 3.30, r2= 3.80, r3= 7.21, r4= 7.71,
 igr2= 766, 767, 768,
 /
#
#  55 GLN  HE22      52 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 762, 763, 764,
 /
#
#  55 GLN  HE21      52 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 3.30, r2= 3.80, r3= 7.00, r4= 7.50,
 igr2= 762, 763, 764,
 /
#
#  55 GLN  HN        53 SER  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLN  HN        54 CY1  HA         4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 785, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  /
#
#  55 GLN  HN        54 CY1  QB         4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 788, 787,
 /
#
#  55 GLN  HN        55 GLN  QG         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 800, 801,
 /
#
#  55 GLN  HN        55 GLN  HB3        3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  /
#
#  55 GLN  HA        55 GLN  QB         3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 797, 798,
 /
#
#  55 GLN  HA        55 GLN  QG         3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 800, 801,
 /
#
#  55 GLN  HA        55 GLN  HB3        3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 798, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  /
#
#  55 GLN  HB3       55 GLN  QG         2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2= 800, 801,
 /
#
#  55 GLN  HB2       55 GLN  QG         3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 800, 801,
 /
#
#  55 GLN  HA        55 GLN  HB2        3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  /
#
#  55 GLN  HN        55 GLN  HE21       6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HN        55 GLN  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  55 GLN  HN        55 GLN  HA         3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  /
#
#  55 GLN  HE22      55 GLN  QG         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 800, 801,
 /
#
#  55 GLN  HE22      55 GLN  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HE21      55 GLN  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HE21      55 GLN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  55 GLN  HE21      55 GLN  HB3        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLN  HE21      55 GLN  QG         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 800, 801,
 /
#
#  55 GLN  HE22      55 GLN  HB2        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 797, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  55 GLN  HE22      55 GLN  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 806, 795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HN        56 PRO  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HA        56 PRO  HD2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLN  HA        56 PRO  HD3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 795, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  55 GLN  HN        56 PRO  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HN        56 PRO  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  55 GLN  HN        56 PRO  HD3        4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 812, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  /
#
#  55 GLN  HN        56 PRO  HD2        3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 811, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  /
#
#  55 GLN  QE2       56 PRO  QD         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 805, 806,
 igr2= 811, 812,
 /
#
#  55 GLN  HA        58 VAL  QG1        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 851, 852, 853,
 /
#
#  55 GLN  HN        58 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 851, 852, 853,
 /
#
#  55 GLN  HE21      58 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 851, 852, 853,
 /
#
#  55 GLN  HE22      58 VAL  QG1        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 851, 852, 853,
 /
#
#  55 GLN  HE22      59 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 806,  -1, r1= 3.30, r2= 3.80, r3= 8.00, r4= 8.50,
 igr2= 867, 868, 869, 871, 872, 873,
 /
#
#  55 GLN  HE21      59 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 805,  -1, r1= 3.30, r2= 3.80, r3= 8.00, r4= 8.50,
 igr2= 867, 868, 869, 871, 872, 873,
 /
#
#  55 GLN  QG        59 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.30, r2= 3.80, r3=10.59, r4=11.09,
 igr1= 800, 801,
 igr2= 867, 868, 869, 871, 872, 873,
 /
#
#  56 PRO  HD3       55 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  56 PRO  HD3       55 GLN  QG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 /
#
#  56 PRO  HD2       55 GLN  QG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 /
#
#  56 PRO  HD3       55 GLN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  56 PRO  HD2       55 GLN  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  56 PRO  HD2       55 GLN  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  56 PRO  HD3       56 PRO  HG2        3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  /
#
#  56 PRO  HD2       56 PRO  HG2        3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 814, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  /
#
#  56 PRO  HA        56 PRO  HD3        4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 812, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  /
#
#  56 PRO  HD3       56 PRO  HB2        4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 817, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  /
#
#  56 PRO  HD3       56 PRO  HB3        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 818, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  /
#
#  56 PRO  HA        56 PRO  HG2        3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 814, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  /
#
#  56 PRO  HA        56 PRO  HB2        3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 817, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  /
#
#  56 PRO  HB2       56 PRO  HG3        3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 815, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  /
#
#  56 PRO  HA        56 PRO  HD2        4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 811, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  /
#
#  56 PRO  HD2       56 PRO  HB3        4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 818, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  /
#
#  56 PRO  HB3       56 PRO  HG2        3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 814, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  /
#
#  56 PRO  HA        56 PRO  HG3        3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 815, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  /
#
#  56 PRO  HD2       56 PRO  HG3        3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 815, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  /
#
#  56 PRO  HB3       56 PRO  HG3        3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 815, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  /
#
#  56 PRO  HA        56 PRO  HB3        3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  /
#
#  56 PRO  HD3       56 PRO  HG3        3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 815, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  /
#
#  56 PRO  HD3       57 TYR  QE         7.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr2= 834, 839,
 /
#
#  56 PRO  QB        57 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 817, 818,
 igr2= 834, 839,
 /
#
#  56 PRO  HG2       57 TYR  QE         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 834, 839,
 /
#
#  56 PRO  HD2       58 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr2= 851, 852, 853, 855, 856, 857,
 /
#
#  56 PRO  HA        59 VAL  QQG        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 3.30, r2= 3.80, r3= 8.00, r4= 8.50,
 igr2= 867, 868, 869, 871, 872, 873,
 /
#
#  57 TYR  HN        55 GLN  HB2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  57 TYR  HN        55 GLN  HA         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  /
#
#  57 TYR  HN        55 GLN  HB3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 798, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  57 TYR  HN        55 GLN  QG         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 /
#
#  57 TYR  QD        56 PRO  HD2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 832, 841,
 /
#
#  57 TYR  QD        56 PRO  HD3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 812, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 832, 841,
 /
#
#  57 TYR  QD        56 PRO  HG2        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 832, 841,
 /
#
#  57 TYR  QD        56 PRO  HB3        6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 832, 841,
 /
#
#  57 TYR  HN        56 PRO  HB2        4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 817, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  /
#
#  57 TYR  HA        56 PRO  HD2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  57 TYR  HN        56 PRO  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 818, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 TYR  HN        56 PRO  HA         3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 820, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  /
#
#  57 TYR  HN        56 PRO  HD3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 812, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  /
#
#  57 TYR  HN        56 PRO  HG2        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  57 TYR  HN        56 PRO  HD2        4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 811, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  /
#
#  57 TYR  HN        56 PRO  HG3        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 815, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  57 TYR  HN        57 TYR  QD         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 832, 841,
 /
#
#  57 TYR  QD        57 TYR  QE         2.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 832, 841,
 igr2= 834, 839,
 /
#
#  57 TYR  HB2       57 TYR  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 834, 839,
 /
#
#  57 TYR  HB3       57 TYR  QE         4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 834, 839,
 /
#
#  57 TYR  QD        57 TYR  HB2        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 832, 841,
 /
#
#  57 TYR  QD        57 TYR  HB3        5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 832, 841,
 /
#
#  57 TYR  QD        57 TYR  HA         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 832, 841,
 /
#
#  57 TYR  HA        57 TYR  QE         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 826,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 834, 839,
 /
#
#  57 TYR  HN        57 TYR  HB3        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 829, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 TYR  HN        57 TYR  HB2        4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 828, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 TYR  HN        57 TYR  HA         3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 826, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  /
#
#  57 TYR  HA        57 TYR  HB2        3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 828, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  /
#
#  57 TYR  HA        57 TYR  HB3        4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 829, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  /
#
#  57 TYR  HB2       58 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 851, 852, 853,
 /
#
#  57 TYR  HB3       58 VAL  QG1        6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 851, 852, 853,
 /
#
#  57 TYR  HB3       58 VAL  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 847, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  57 TYR  HN        58 VAL  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 824, 845, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  57 TYR  HN        58 VAL  QG1        5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 851, 852, 853,
 /
#
#  57 TYR  HA        59 VAL  HN         6.22
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 861, r1= 2.30, r2= 2.80, r3= 6.22, r4= 6.72,  /
#
#  58 VAL  QQG       23 HIE  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 851, 852, 853, 855, 856, 857,
 /
#
#  58 VAL  QQG       50 ASP  HB3        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 851, 852, 853, 855, 856, 857,
 /
#
#  58 VAL  QQG       50 ASP  HB2        7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 738, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1= 851, 852, 853, 855, 856, 857,
 /
#
#  58 VAL  QG2       54 CY1  HA         7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
 igr1= 855, 856, 857,
 /
#
#  58 VAL  QQG       55 GLN  QB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 797, 798,
 /
#
#  58 VAL  QQG       55 GLN  QG         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 800, 801,
 /
#
#  58 VAL  HN        56 PRO  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  /
#
#  58 VAL  HN        57 TYR  HB2        4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 828, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  /
#
#  58 VAL  HN        57 TYR  HB3        4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 829, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  /
#
#  58 VAL  HN        57 TYR  HA         3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 826, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  /
#
#  58 VAL  HB        57 TYR  HN         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 824, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  /
#
#  58 VAL  HN        58 VAL  QG2        4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 855, 856, 857,
 /
#
#  58 VAL  HN        58 VAL  QG1        4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 851, 852, 853,
 /
#
#  58 VAL  HN        58 VAL  HA         3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  /
#
#  58 VAL  HA        58 VAL  HB         3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  /
#
#  58 VAL  HN        58 VAL  HB         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  58 VAL  QG1       58 VAL  HB         3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 851, 852, 853,
 /
#
#  58 VAL  QG2       58 VAL  HB         3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 855, 856, 857,
 /
#
#  58 VAL  QG1       58 VAL  HA         3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 851, 852, 853,
 /
#
#  58 VAL  HA        59 VAL  HN         3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  /
#
#  58 VAL  HN        59 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 861, r1= 2.30, r2= 2.80, r3= 5.00, r4= 5.50,  /
#
#  58 VAL  HB        59 VAL  HN         4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 861, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  /
#
#  58 VAL  QG1       59 VAL  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 2.30, r2= 2.80, r3= 7.21, r4= 7.71,
 igr1= 851, 852, 853,
 /
#
#  58 VAL  QG2       59 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
 igr1= 855, 856, 857,
 /
#
#  58 VAL  QG1       59 VAL  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 2.30, r2= 2.80, r3= 6.00, r4= 6.50,
 igr1= 851, 852, 853,
 /
#
#  58 VAL  HA        59 VAL  HB         6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 865, r1= 2.30, r2= 2.80, r3= 6.50, r4= 7.00,  /
#
#  58 VAL  HA        59 VAL  QQG        6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 847,  -1, r1= 2.30, r2= 2.80, r3= 7.00, r4= 7.50,
 igr2= 867, 868, 869, 871, 872, 873,
 /
#
#  58 VAL  QG1       60 LYS  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 851, 852, 853,
 /
#
#  58 VAL  QG2       60 LYS  HN         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 855, 856, 857,
 /
#
#  58 VAL  QG1       60 LYS  HA         6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 851, 852, 853,
 /
#
#  59 VAL  QQG       59 VAL  HN         4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 867, 868, 869, 871, 872, 873,
 /
#
#  59 VAL  HA        59 VAL  HN         3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  /
#
#  59 VAL  HN        59 VAL  HB         3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  /
#
#  59 VAL  HA        59 VAL  HB         3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  /
#
#  59 VAL  QQG       59 VAL  HB         3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 867, 868, 869, 871, 872, 873,
 /
#
#  59 VAL  QQG       59 VAL  HA         3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 867, 868, 869, 871, 872, 873,
 /
#
#  59 VAL  HA        60 LYS  HN         4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 877, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  /
#
#  59 VAL  QQG       60 LYS  HN         5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 867, 868, 869, 871, 872, 873,
 /
#
#  59 VAL  QQG       60 LYS  HA         6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 2.30, r2= 2.80, r3= 8.00, r4= 8.50,
 igr1= 867, 868, 869, 871, 872, 873,
 /
#
#  59 VAL  HA        60 LYS  QB         7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr2= 881, 882,
 /
#
#  60 LYS  HN        59 VAL  HB         4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 865, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  /
#
#  60 LYS  HN        60 LYS  QG         5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 884, 885,
 /
#
#  60 LYS  HN        60 LYS  HA         3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 879, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  /
#
#  60 LYS  HA        60 LYS  HB3        4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  /
#
#  60 LYS  QG        60 LYS  QE         4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 884, 885,
 igr2= 890, 891,
 /
#
#  60 LYS  HN        60 LYS  QB         4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 881, 882,
 /
#
#  60 LYS  QG        60 LYS  QD         3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 884, 885,
 igr2= 887, 888,
 /
#
#  60 LYS  HB3       60 LYS  QG         4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 884, 885,
 /
#
#  60 LYS  HA        60 LYS  QD         5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2= 887, 888,
 /
#
#  60 LYS  HA        60 LYS  QG         4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 884, 885,
 /
#
#  60 LYS  QE        60 LYS  QD         4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 890, 891,
 igr2= 887, 888,
 /
#
#  60 LYS  QG        60 LYS  HB2        4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 884, 885,
 /
#
#  60 LYS  HA        60 LYS  HB2        4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  /
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    SER1503           H        SER1503  41.683   4.129  -7.678
    2    HA   SER1503           HA       SER1503  41.246   5.926  -5.899
    3    HB2  SER1503           HB2      SER1503  39.683   4.464  -4.656
    4    HB3  SER1503           HB3      SER1503  41.040   3.435  -4.164
    5    HG   SER1503           HG       SER1503  40.433   5.092  -2.601
    6    H    LEU1504           H        LEU1504  42.905   6.535  -4.378
    7    HA   LEU1504           HA       LEU1504  45.539   5.162  -4.691
    8    HB2  LEU1504           HB2      LEU1504  45.432   6.743  -6.510
    9    HB3  LEU1504           HB3      LEU1504  44.846   8.021  -5.453
   10    HG   LEU1504           HG       LEU1504  47.035   8.058  -4.269
   11   HD11  LEU1504          HD11      LEU1504  47.917   6.158  -6.492
   12   HD12  LEU1504          HD12      LEU1504  47.813   5.747  -4.767
   13   HD13  LEU1504          HD13      LEU1504  48.984   6.956  -5.313
   14   HD21  LEU1504          HD21      LEU1504  47.289   8.407  -7.270
   15   HD22  LEU1504          HD22      LEU1504  48.274   9.186  -6.017
   16   HD23  LEU1504          HD23      LEU1504  46.555   9.585  -6.164
   17    H    VAL1505           H        VAL1505  43.732   7.712  -2.913
   18    HA   VAL1505           HA       VAL1505  45.919   8.129  -1.073
   19    HB   VAL1505           HB       VAL1505  43.166   9.318  -0.707
   20   HG11  VAL1505          HG11      VAL1505  45.977  10.438  -0.248
   21   HG12  VAL1505          HG12      VAL1505  44.914   9.830   1.033
   22   HG13  VAL1505          HG13      VAL1505  44.442  11.254   0.116
   23   HG21  VAL1505          HG21      VAL1505  43.928  11.217  -2.159
   24   HG22  VAL1505          HG22      VAL1505  43.638   9.740  -3.062
   25   HG23  VAL1505          HG23      VAL1505  45.307  10.225  -2.680
   26    H    THR1506           H        THR1506  45.045   5.441  -0.960
   27    HA   THR1506           HA       THR1506  45.228   4.975   1.794
   28    HB   THR1506           HB       THR1506  42.498   4.342   0.584
   29    HG1  THR1506           HG1      THR1506  42.989   6.248   1.943
   30   HG21  THR1506          HG21      THR1506  42.840   2.251   1.487
   31   HG22  THR1506          HG22      THR1506  42.200   3.082   2.896
   32   HG23  THR1506          HG23      THR1506  43.942   2.804   2.748
   33    H    CYS1507           HN       CYS1507  46.405   3.176   1.860
   34    HA   CYS1507           HA       CYS1507  46.227   1.167  -0.337
   35    HB2  CYS1507           HB2      CYS1507  48.417   2.223  -0.029
   36    HB3  CYS1507           HB3      CYS1507  48.462   1.644   1.659
   37    HA   PRO1508           HA       PRO1508  43.990  -0.966   3.081
   38    HB2  PRO1508           HB2      PRO1508  43.478  -2.672   0.623
   39    HB3  PRO1508           HB3      PRO1508  42.384  -2.353   2.004
   40    HG2  PRO1508           HG2      PRO1508  42.070  -0.933  -0.264
   41    HG3  PRO1508           HG3      PRO1508  42.147  -0.027   1.278
   42    HD2  PRO1508           HD2      PRO1508  44.403  -0.588  -0.699
   43    HD3  PRO1508           HD3      PRO1508  43.880   0.970  -0.012
   44    H    ILE1509           H        ILE1509  46.602  -1.993   0.984
   45    HA   ILE1509           HA       ILE1509  46.967  -4.585   2.314
   46    HB   ILE1509           HB       ILE1509  49.155  -3.227   0.737
   47   HG12  ILE1509          HG12      ILE1509  46.809  -4.760  -0.428
   48   HG13  ILE1509          HG13      ILE1509  47.167  -3.056  -0.724
   49   HG21  ILE1509          HG21      ILE1509  49.617  -5.310   2.022
   50   HG22  ILE1509          HG22      ILE1509  49.724  -5.623   0.295
   51   HG23  ILE1509          HG23      ILE1509  48.273  -6.117   1.186
   52   HD11  ILE1509          HD11      ILE1509  47.859  -4.247  -2.647
   53   HD12  ILE1509          HD12      ILE1509  48.754  -5.447  -1.711
   54   HD13  ILE1509          HD13      ILE1509  49.340  -3.771  -1.796
   55    H    CYS1510           HN       CYS1510  48.422  -1.339   2.523
   56    HA   CYS1510           HA       CYS1510  50.099  -2.029   4.819
   57    HB2  CYS1510           HB2      CYS1510  49.564   0.545   3.273
   58    HB3  CYS1510           HB3      CYS1510  50.652   0.414   4.652
   59    H    HIS1511           H        HIS1511  46.849  -1.202   4.457
   60    HA   HIS1511           HA       HIS1511  45.146  -0.485   5.736
   61    HB2  HIS1511           HB2      HIS1511  46.849  -0.634   8.196
   62    HB3  HIS1511           HB3      HIS1511  45.097  -0.657   8.097
   63    HD2  HIS1511           HD2      HIS1511  48.065  -2.977   8.093
   64    HE1  HIS1511           HE1      HIS1511  44.765  -5.423   6.941
   65    HE2  HIS1511           HE2      HIS1511  47.205  -5.434   7.668
   66    H    ALA1512           H        ALA1512  46.564   1.299   4.368
   67    HA   ALA1512           HA       ALA1512  46.476   3.403   3.832
   68    HB1  ALA1512           HB1      ALA1512  44.684   4.682   4.519
   69    HB2  ALA1512           HB2      ALA1512  44.733   4.062   6.186
   70    HB3  ALA1512           HB3      ALA1512  44.187   3.014   4.870
   71    HA   PRO1513           HA       PRO1513  49.280   5.720   6.890
   72    HB2  PRO1513           HB2      PRO1513  51.644   4.481   7.256
   73    HB3  PRO1513           HB3      PRO1513  50.216   4.026   8.224
   74    HG2  PRO1513           HG2      PRO1513  51.220   2.671   5.693
   75    HG3  PRO1513           HG3      PRO1513  50.859   1.913   7.277
   76    HD2  PRO1513           HD2      PRO1513  49.028   2.001   5.241
   77    HD3  PRO1513           HD3      PRO1513  48.560   2.122   6.971
   78    H    TYR1514           H        TYR1514  48.631   6.289   4.469
   79    HA   TYR1514           HA       TYR1514  50.384   5.672   2.325
   80    HB2  TYR1514           HB2      TYR1514  48.025   6.266   2.053
   81    HB3  TYR1514           HB3      TYR1514  48.340   7.901   2.622
   82    HD1  TYR1514           HD1      TYR1514  49.464   9.550   1.195
   83    HD2  TYR1514           HD2      TYR1514  48.786   5.515  -0.188
   84    HE1  TYR1514           HE1      TYR1514  49.977  10.259  -1.135
   85    HE2  TYR1514           HE2      TYR1514  49.331   6.220  -2.508
   86    HH   TYR1514           HH       TYR1514  50.123   9.630  -3.322
   87    H    VAL1515           H        VAL1515  52.056   6.623   1.376
   88    HA   VAL1515           HA       VAL1515  52.879   9.385   1.942
   89    HB   VAL1515           HB       VAL1515  55.261   8.774   2.161
   90   HG11  VAL1515          HG11      VAL1515  53.896   9.300   4.165
   91   HG12  VAL1515          HG12      VAL1515  55.247   8.206   4.510
   92   HG13  VAL1515          HG13      VAL1515  53.595   7.564   4.399
   93   HG21  VAL1515          HG21      VAL1515  55.968   6.536   2.848
   94   HG22  VAL1515          HG22      VAL1515  55.265   6.487   1.226
   95   HG23  VAL1515          HG23      VAL1515  54.324   5.911   2.616
   96    H    GLU1516           H        GLU1516  54.006  10.354   0.244
   97    HA   GLU1516           HA       GLU1516  53.642   9.134  -2.398
   98    HB2  GLU1516           HB2      GLU1516  54.837  11.784  -1.497
   99    HB3  GLU1516           HB3      GLU1516  54.557  11.318  -3.181
  100    HG2  GLU1516           HG2      GLU1516  52.125  11.021  -2.669
  101    HG3  GLU1516           HG3      GLU1516  52.411  11.649  -1.044
  102    H    GLU1517           H        GLU1517  56.260   9.075  -0.155
  103    HA   GLU1517           HA       GLU1517  58.479   9.226  -1.933
  104    HB2  GLU1517           HB2      GLU1517  58.587   9.548   0.512
  105    HB3  GLU1517           HB3      GLU1517  58.181   7.858   0.770
  106    HG2  GLU1517           HG2      GLU1517  60.563   8.255   1.101
  107    HG3  GLU1517           HG3      GLU1517  60.271   7.123  -0.213
  108    H    ASP1518           H        ASP1518  56.529   6.408  -0.953
  109    HA   ASP1518           HA       ASP1518  58.255   4.526  -2.435
  110    HB2  ASP1518           HB2      ASP1518  55.658   4.106  -0.920
  111    HB3  ASP1518           HB3      ASP1518  56.557   2.843  -1.759
  112    H    LEU1519           H        LEU1519  58.004   3.999  -4.502
  113    HA   LEU1519           HA       LEU1519  55.941   5.190  -6.124
  114    HB2  LEU1519           HB2      LEU1519  57.043   4.245  -7.982
  115    HB3  LEU1519           HB3      LEU1519  58.261   4.787  -6.855
  116    HG   LEU1519           HG       LEU1519  57.928   2.089  -6.126
  117   HD11  LEU1519          HD11      LEU1519  57.841   2.347  -9.169
  118   HD12  LEU1519          HD12      LEU1519  56.548   1.685  -8.148
  119   HD13  LEU1519          HD13      LEU1519  58.116   0.849  -8.253
  120   HD21  LEU1519          HD21      LEU1519  60.071   3.241  -6.306
  121   HD22  LEU1519          HD22      LEU1519  59.905   3.342  -8.067
  122   HD23  LEU1519          HD23      LEU1519  60.104   1.758  -7.273
  123    H    LEU1520           H        LEU1520  54.465   4.086  -7.559
  124    HA   LEU1520           HA       LEU1520  53.148   1.774  -6.220
  125    HB2  LEU1520           HB2      LEU1520  51.782   4.233  -7.358
  126    HB3  LEU1520           HB3      LEU1520  51.020   2.873  -6.578
  127    HG   LEU1520           HG       LEU1520  52.786   3.669  -4.586
  128   HD11  LEU1520          HD11      LEU1520  51.671   6.179  -5.943
  129   HD12  LEU1520          HD12      LEU1520  53.388   5.732  -5.886
  130   HD13  LEU1520          HD13      LEU1520  52.532   6.114  -4.391
  131   HD21  LEU1520          HD21      LEU1520  49.945   4.614  -5.085
  132   HD22  LEU1520          HD22      LEU1520  50.793   4.655  -3.518
  133   HD23  LEU1520          HD23      LEU1520  50.425   3.104  -4.282
  134    H    ILE1521           H        ILE1521  51.517   0.719  -7.350
  135    HA   ILE1521           HA       ILE1521  51.601   0.629 -10.299
  136    HB   ILE1521           HB       ILE1521  53.262  -0.976  -9.330
  137   HG12  ILE1521          HG12      ILE1521  50.966  -2.349 -10.781
  138   HG13  ILE1521          HG13      ILE1521  52.183  -1.312 -11.539
  139   HG21  ILE1521          HG21      ILE1521  52.539  -2.985  -8.133
  140   HG22  ILE1521          HG22      ILE1521  50.848  -2.459  -8.201
  141   HG23  ILE1521          HG23      ILE1521  52.036  -1.555  -7.239
  142   HD11  ILE1521          HD11      ILE1521  53.974  -2.857 -10.705
  143   HD12  ILE1521          HD12      ILE1521  52.861  -3.580 -11.883
  144   HD13  ILE1521          HD13      ILE1521  52.704  -3.966 -10.161
  145    H    GLN1522           H        GLN1522  49.618  -0.386 -11.189
  146    HA   GLN1522           HA       GLN1522  47.401  -0.680  -9.213
  147    HB2  GLN1522           HB2      GLN1522  45.870   0.487 -10.729
  148    HB3  GLN1522           HB3      GLN1522  47.130   1.544 -10.114
  149    HG2  GLN1522           HG2      GLN1522  48.330   1.465 -12.213
  150    HG3  GLN1522           HG3      GLN1522  47.291   0.174 -12.825
  151   HE21  GLN1522          HE21      GLN1522  45.146   2.428 -11.364
  152   HE22  GLN1522          HE22      GLN1522  44.809   3.263 -12.875
  153    H    CYS1523           HN       CYS1523  45.604  -1.889  -9.780
  154    HA   CYS1523           HA       CYS1523  46.034  -4.184 -11.458
  155    HB2  CYS1523           HB2      CYS1523  44.694  -4.180  -9.454
  156    HB3  CYS1523           HB3      CYS1523  43.542  -3.023 -10.149
  157    H    ARG1524           H        ARG1524  45.492  -4.571 -13.542
  158    HA   ARG1524           HA       ARG1524  44.753  -2.461 -15.384
  159    HB2  ARG1524           HB2      ARG1524  44.747  -4.197 -17.065
  160    HB3  ARG1524           HB3      ARG1524  46.102  -4.470 -15.968
  161    HG2  ARG1524           HG2      ARG1524  44.603  -6.153 -14.731
  162    HG3  ARG1524           HG3      ARG1524  43.442  -5.986 -16.039
  163    HD2  ARG1524           HD2      ARG1524  44.806  -7.037 -17.597
  164    HD3  ARG1524           HD3      ARG1524  46.299  -6.651 -16.724
  165    HE   ARG1524           HE       ARG1524  45.234  -8.217 -14.887
  166   HH11  ARG1524          HH11      ARG1524  45.190  -9.051 -18.347
  167   HH12  ARG1524          HH12      ARG1524  45.187 -10.753 -17.918
  168   HH21  ARG1524          HH21      ARG1524  45.284 -10.187 -14.534
  169   HH22  ARG1524          HH22      ARG1524  45.116 -11.389 -15.817
  170    H    HIS1525           H        HIS1525  42.807  -4.604 -13.446
  171    HA   HIS1525           HA       HIS1525  40.361  -4.192 -15.094
  172    HB2  HIS1525           HB2      HIS1525  41.003  -6.468 -14.312
  173    HB3  HIS1525           HB3      HIS1525  40.824  -5.920 -12.642
  174    HD2  HIS1525           HD2      HIS1525  38.504  -6.373 -11.613
  175    HE1  HIS1525           HE1      HIS1525  36.141  -6.630 -15.154
  176    HE2  HIS1525           HE2      HIS1525  36.107  -6.835 -12.617
  177    H    CYS1526           HN       CYS1526  41.421  -3.751 -11.696
  178    HA   CYS1526           HA       CYS1526  39.035  -2.240 -11.058
  179    HB2  CYS1526           HB2      CYS1526  41.444  -3.050  -9.375
  180    HB3  CYS1526           HB3      CYS1526  39.885  -2.467  -8.789
  181    H    GLU1527           H        GLU1527  42.276  -1.374 -11.962
  182    HA   GLU1527           HA       GLU1527  43.543   0.460 -11.980
  183    HB2  GLU1527           HB2      GLU1527  40.918   1.963 -11.847
  184    HB3  GLU1527           HB3      GLU1527  42.489   2.715 -12.091
  185    HG2  GLU1527           HG2      GLU1527  42.865   1.295 -14.104
  186    HG3  GLU1527           HG3      GLU1527  41.257   0.603 -13.895
  187    H    ARG1528           H        ARG1528  42.152  -0.408  -9.126
  188    HA   ARG1528           HA       ARG1528  42.897   1.710  -7.359
  189    HB2  ARG1528           HB2      ARG1528  42.983  -1.285  -6.767
  190    HB3  ARG1528           HB3      ARG1528  42.881   0.019  -5.593
  191    HG2  ARG1528           HG2      ARG1528  40.734  -0.893  -7.541
  192    HG3  ARG1528           HG3      ARG1528  40.732  -1.033  -5.786
  193    HD2  ARG1528           HD2      ARG1528  40.678   1.474  -5.641
  194    HD3  ARG1528           HD3      ARG1528  40.564   1.524  -7.421
  195    HE   ARG1528           HE       ARG1528  38.524  -0.158  -6.205
  196   HH11  ARG1528          HH11      ARG1528  37.496   3.604  -7.094
  197   HH12  ARG1528          HH12      ARG1528  39.191   3.202  -7.006
  198   HH21  ARG1528          HH21      ARG1528  36.390   0.436  -6.322
  199   HH22  ARG1528          HH22      ARG1528  35.958   2.075  -6.704
  200    H    TRP1529           H        TRP1529  44.738   2.379  -6.526
  201    HA   TRP1529           HA       TRP1529  47.280   1.249  -7.508
  202    HB2  TRP1529           HB2      TRP1529  46.573   3.784  -6.003
  203    HB3  TRP1529           HB3      TRP1529  48.207   3.321  -6.449
  204    HD1  TRP1529           HD1      TRP1529  44.974   4.635  -7.983
  205    HE1  TRP1529           HE1      TRP1529  45.330   5.215 -10.446
  206    HE3  TRP1529           HE3      TRP1529  49.689   2.762  -8.561
  207    HZ2  TRP1529           HZ2      TRP1529  47.486   5.085 -12.372
  208    HZ3  TRP1529           HZ3      TRP1529  50.846   2.929 -10.746
  209    HH2  TRP1529           HH2      TRP1529  49.776   4.131 -12.647
  210    H    MET1530           H        MET1530  48.944   0.549  -6.281
  211    HA   MET1530           HA       MET1530  48.881   0.598  -3.341
  212    HB2  MET1530           HB2      MET1530  49.296  -1.776  -3.107
  213    HB3  MET1530           HB3      MET1530  47.760  -1.530  -3.920
  214    HG2  MET1530           HG2      MET1530  49.544  -1.738  -6.060
  215    HG3  MET1530           HG3      MET1530  50.245  -2.819  -4.869
  216    HE1  MET1530           HE1      MET1530  46.510  -1.873  -5.930
  217    HE2  MET1530           HE2      MET1530  46.211  -3.213  -7.056
  218    HE3  MET1530           HE3      MET1530  47.520  -2.054  -7.382
  219    H    HIS1531           H        HIS1531  51.055   0.159  -2.442
  220    HA   HIS1531           HA       HIS1531  53.135   1.323  -4.073
  221    HB2  HIS1531           HB2      HIS1531  53.567  -0.151  -1.467
  222    HB3  HIS1531           HB3      HIS1531  54.556   1.097  -2.166
  223    HD2  HIS1531           HD2      HIS1531  53.523   3.683  -2.089
  224    HE1  HIS1531           HE1      HIS1531  50.575   2.846   0.867
  225    HE2  HIS1531           HE2      HIS1531  51.807   4.697  -0.405
  226    H    ALA1532           H        ALA1532  55.198   0.342  -4.638
  227    HA   ALA1532           HA       ALA1532  55.078  -2.255  -5.820
  228    HB1  ALA1532           HB1      ALA1532  56.615  -0.389  -6.433
  229    HB2  ALA1532           HB2      ALA1532  57.475  -1.912  -6.175
  230    HB3  ALA1532           HB3      ALA1532  57.524  -0.652  -4.930
  231    H    GLY1533           H        GLY1533  56.341  -1.214  -2.630
  232    HA2  GLY1533           HA2      GLY1533  57.613  -3.630  -1.903
  233    HA3  GLY1533           HA3      GLY1533  57.107  -2.353  -0.794
  234    H    CYS1534           HN       CYS1534  54.221  -2.591  -1.195
  235    HA   CYS1534           HA       CYS1534  53.674  -4.938   0.410
  236    HB2  CYS1534           HB2      CYS1534  51.321  -4.085   0.275
  237    HB3  CYS1534           HB3      CYS1534  52.478  -3.069   1.069
  238    H    GLU1535           H        GLU1535  54.169  -4.705  -2.830
  239    HA   GLU1535           HA       GLU1535  52.800  -7.312  -3.293
  240    HB2  GLU1535           HB2      GLU1535  53.141  -4.942  -5.148
  241    HB3  GLU1535           HB3      GLU1535  52.939  -6.556  -5.797
  242    HG2  GLU1535           HG2      GLU1535  51.015  -5.218  -3.839
  243    HG3  GLU1535           HG3      GLU1535  50.795  -5.290  -5.571
  244    H    SER1536           H        SER1536  55.555  -6.382  -2.273
  245    HA   SER1536           HA       SER1536  57.693  -7.030  -2.316
  246    HB2  SER1536           HB2      SER1536  56.628  -9.553  -3.612
  247    HB3  SER1536           HB3      SER1536  58.174  -9.371  -2.765
  248    HG   SER1536           HG       SER1536  56.520 -10.251  -1.407
  249    H    LEU1537           H        LEU1537  56.744  -5.600  -4.808
  250    HA   LEU1537           HA       LEU1537  58.632  -6.491  -6.881
  251    HB2  LEU1537           HB2      LEU1537  56.908  -4.002  -6.727
  252    HB3  LEU1537           HB3      LEU1537  57.824  -4.550  -8.135
  253    HG   LEU1537           HG       LEU1537  55.474  -6.028  -6.839
  254   HD11  LEU1537          HD11      LEU1537  55.658  -4.500  -9.447
  255   HD12  LEU1537          HD12      LEU1537  54.816  -3.961  -7.964
  256   HD13  LEU1537          HD13      LEU1537  54.242  -5.386  -8.845
  257   HD21  LEU1537          HD21      LEU1537  56.982  -7.629  -7.948
  258   HD22  LEU1537          HD22      LEU1537  57.012  -6.615  -9.411
  259   HD23  LEU1537          HD23      LEU1537  55.511  -7.414  -8.896
  260    H    PHE1538           H        PHE1538  60.683  -5.818  -7.089
  261    HA   PHE1538           HA       PHE1538  61.837  -4.447  -4.816
  262    HB2  PHE1538           HB2      PHE1538  63.099  -5.558  -7.349
  263    HB3  PHE1538           HB3      PHE1538  63.983  -4.977  -5.936
  264    HD1  PHE1538           HD1      PHE1538  63.723  -6.042  -3.705
  265    HD2  PHE1538           HD2      PHE1538  62.269  -7.849  -7.340
  266    HE1  PHE1538           HE1      PHE1538  63.704  -8.247  -2.598
  267    HE2  PHE1538           HE2      PHE1538  62.236 -10.061  -6.225
  268    HZ   PHE1538           HZ       PHE1538  62.951 -10.278  -3.847
  269    H    THR1539           H        THR1539  61.307  -3.382  -8.186
  270    HA   THR1539           HA       THR1539  62.454  -0.703  -7.535
  271    HB   THR1539           HB       THR1539  63.870  -0.693  -9.470
  272    HG1  THR1539           HG1      THR1539  64.038  -2.668 -10.728
  273   HG21  THR1539          HG21      THR1539  65.560  -2.322  -9.036
  274   HG22  THR1539          HG22      THR1539  64.417  -3.401  -8.216
  275   HG23  THR1539          HG23      THR1539  64.877  -1.846  -7.475
  276    H    GLU1540           H        GLU1540  62.155   0.884  -9.347
  277    HA   GLU1540           HA       GLU1540  59.474   1.023 -10.335
  278    HB2  GLU1540           HB2      GLU1540  61.073   2.913  -9.950
  279    HB3  GLU1540           HB3      GLU1540  61.979   2.403 -11.376
  280    HG2  GLU1540           HG2      GLU1540  59.976   2.762 -12.786
  281    HG3  GLU1540           HG3      GLU1540  59.055   3.264 -11.363
  282    H    ASP1541           H        ASP1541  62.466  -0.270 -11.802
  283    HA   ASP1541           HA       ASP1541  61.311  -0.765 -14.419
  284    HB2  ASP1541           HB2      ASP1541  63.701  -2.062 -13.067
  285    HB3  ASP1541           HB3      ASP1541  63.275  -2.205 -14.765
  286    H    ASP1542           H        ASP1542  61.620  -2.739 -11.435
  287    HA   ASP1542           HA       ASP1542  60.547  -5.151 -12.562
  288    HB2  ASP1542           HB2      ASP1542  61.876  -4.860 -10.417
  289    HB3  ASP1542           HB3      ASP1542  60.417  -4.195  -9.678
  290    H    VAL1543           H        VAL1543  59.072  -2.330 -10.961
  291    HA   VAL1543           HA       VAL1543  56.321  -3.193 -11.108
  292    HB   VAL1543           HB       VAL1543  57.760  -0.591 -10.667
  293   HG11  VAL1543          HG11      VAL1543  56.007   0.226 -12.083
  294   HG12  VAL1543          HG12      VAL1543  55.593   0.608 -10.416
  295   HG13  VAL1543          HG13      VAL1543  54.777  -0.742 -11.242
  296   HG21  VAL1543          HG21      VAL1543  55.585  -2.102  -9.160
  297   HG22  VAL1543          HG22      VAL1543  56.392  -0.639  -8.618
  298   HG23  VAL1543          HG23      VAL1543  57.331  -2.133  -8.794
  299    H    GLU1544           H        GLU1544  58.323  -1.260 -13.431
  300    HA   GLU1544           HA       GLU1544  56.218  -0.967 -15.341
  301    HB2  GLU1544           HB2      GLU1544  58.300   0.335 -15.387
  302    HB3  GLU1544           HB3      GLU1544  59.229  -1.120 -15.779
  303    HG2  GLU1544           HG2      GLU1544  58.073  -1.341 -17.921
  304    HG3  GLU1544           HG3      GLU1544  56.950  -0.054 -17.491
  305    H    GLN1545           H        GLN1545  58.685  -3.565 -14.997
  306    HA   GLN1545           HA       GLN1545  57.768  -5.259 -17.097
  307    HB2  GLN1545           HB2      GLN1545  59.877  -5.555 -16.048
  308    HB3  GLN1545           HB3      GLN1545  59.196  -5.765 -14.458
  309    HG2  GLN1545           HG2      GLN1545  58.588  -7.695 -16.733
  310    HG3  GLN1545           HG3      GLN1545  60.057  -7.817 -15.770
  311   HE21  GLN1545          HE21      GLN1545  58.363  -6.971 -13.193
  312   HE22  GLN1545          HE22      GLN1545  57.625  -8.512 -12.829
  313    H    ALA1546           H        ALA1546  56.684  -5.115 -13.648
  314    HA   ALA1546           HA       ALA1546  54.792  -7.242 -13.900
  315    HB1  ALA1546           HB1      ALA1546  53.979  -6.379 -11.729
  316    HB2  ALA1546           HB2      ALA1546  54.941  -4.906 -11.953
  317    HB3  ALA1546           HB3      ALA1546  55.744  -6.478 -11.772
  318    H    ALA1547           H        ALA1547  54.431  -3.721 -14.412
  319    HA   ALA1547           HA       ALA1547  51.606  -3.717 -14.939
  320    HB1  ALA1547           HB1      ALA1547  52.916  -1.706 -14.355
  321    HB2  ALA1547           HB2      ALA1547  52.100  -1.512 -15.925
  322    HB3  ALA1547           HB3      ALA1547  53.837  -1.871 -15.872
  323    H    ASP1548           H        ASP1548  54.466  -3.971 -17.149
  324    HA   ASP1548           HA       ASP1548  52.967  -4.157 -19.575
  325    HB2  ASP1548           HB2      ASP1548  55.401  -3.618 -19.363
  326    HB3  ASP1548           HB3      ASP1548  55.711  -5.289 -18.885
  327    H    GLU1549           H        GLU1549  53.826  -6.583 -17.174
  328    HA   GLU1549           HA       GLU1549  52.943  -8.915 -18.684
  329    HB2  GLU1549           HB2      GLU1549  53.535  -8.345 -15.765
  330    HB3  GLU1549           HB3      GLU1549  52.868  -9.889 -16.255
  331    HG2  GLU1549           HG2      GLU1549  55.365  -8.826 -17.617
  332    HG3  GLU1549           HG3      GLU1549  55.443  -9.587 -16.036
  333    H    GLY1550           H        GLY1550  51.163  -6.357 -17.400
  334    HA2  GLY1550           HA2      GLY1550  48.853  -6.025 -17.354
  335    HA3  GLY1550           HA3      GLY1550  48.577  -7.737 -17.660
  336    H    PHE1551           H        PHE1551  49.497  -5.371 -15.166
  337    HA   PHE1551           HA       PHE1551  49.646  -7.267 -13.044
  338    HB2  PHE1551           HB2      PHE1551  50.778  -4.988 -13.207
  339    HB3  PHE1551           HB3      PHE1551  49.246  -4.286 -12.706
  340    HD1  PHE1551           HD1      PHE1551  51.757  -6.908 -11.790
  341    HD2  PHE1551           HD2      PHE1551  48.793  -4.136 -10.324
  342    HE1  PHE1551           HE1      PHE1551  52.418  -7.440  -9.453
  343    HE2  PHE1551           HE2      PHE1551  49.456  -4.672  -7.998
  344    HZ   PHE1551           HZ       PHE1551  51.261  -6.316  -7.560
  345    H    ASP1552           H        ASP1552  48.431  -7.330 -11.067
  346    HA   ASP1552           HA       ASP1552  45.488  -6.916 -11.295
  347    HB2  ASP1552           HB2      ASP1552  46.985  -9.485 -10.627
  348    HB3  ASP1552           HB3      ASP1552  45.275  -9.256 -10.377
  349    H    CYS1553           HN       CYS1553  44.513  -6.347  -9.337
  350    HA   CYS1553           HA       CYS1553  46.152  -5.966  -6.995
  351    HB2  CYS1553           HB2      CYS1553  44.273  -5.047  -5.962
  352    HB3  CYS1553           HB3      CYS1553  44.193  -4.500  -7.591
  353    H    VAL1554           H        VAL1554  44.840  -6.660  -4.869
  354    HA   VAL1554           HA       VAL1554  45.803  -9.249  -4.443
  355    HB   VAL1554           HB       VAL1554  43.841  -8.151  -2.466
  356   HG11  VAL1554          HG11      VAL1554  45.127 -10.246  -2.118
  357   HG12  VAL1554          HG12      VAL1554  45.605  -8.996  -0.952
  358   HG13  VAL1554          HG13      VAL1554  46.640  -9.343  -2.364
  359   HG21  VAL1554          HG21      VAL1554  46.574  -6.898  -3.002
  360   HG22  VAL1554          HG22      VAL1554  45.632  -6.680  -1.516
  361   HG23  VAL1554          HG23      VAL1554  44.991  -6.071  -3.043
  362    H    SER1555           H        SER1555  42.377  -8.204  -4.814
  363    HA   SER1555           HA       SER1555  41.269 -10.873  -4.450
  364    HB2  SER1555           HB2      SER1555  40.070  -8.439  -5.826
  365    HB3  SER1555           HB3      SER1555  39.191  -9.872  -5.273
  366    HG   SER1555           HG       SER1555  39.661  -9.320  -3.133
  367    H    CYS1556           HN       CYS1556  42.747  -9.238  -7.170
  368    HA   CYS1556           HA       CYS1556  41.421 -10.893  -9.174
  369    HB2  CYS1556           HB2      CYS1556  43.402  -8.624  -9.191
  370    HB3  CYS1556           HB3      CYS1556  43.078  -9.578 -10.647
  371    H    GLN1557           H        GLN1557  43.987 -11.420  -7.012
  372    HA   GLN1557           HA       GLN1557  45.596 -13.174  -8.625
  373    HB2  GLN1557           HB2      GLN1557  45.259 -13.308  -5.611
  374    HB3  GLN1557           HB3      GLN1557  46.519 -14.016  -6.599
  375    HG2  GLN1557           HG2      GLN1557  45.991 -11.095  -6.091
  376    HG3  GLN1557           HG3      GLN1557  47.347 -12.033  -5.482
  377   HE21  GLN1557          HE21      GLN1557  46.678  -9.651  -7.555
  378   HE22  GLN1557          HE22      GLN1557  47.951  -9.926  -8.714
  379    HA   PRO1558           HA       PRO1558  42.723 -16.770  -7.371
  380    HB2  PRO1558           HB2      PRO1558  40.308 -16.319  -6.144
  381    HB3  PRO1558           HB3      PRO1558  41.832 -16.731  -5.306
  382    HG2  PRO1558           HG2      PRO1558  40.605 -14.008  -5.704
  383    HG3  PRO1558           HG3      PRO1558  41.342 -14.716  -4.231
  384    HD2  PRO1558           HD2      PRO1558  42.757 -13.017  -5.803
  385    HD3  PRO1558           HD3      PRO1558  43.504 -14.426  -5.007
  386    H    TYR1559           H        TYR1559  40.946 -13.669  -8.100
  387    HA   TYR1559           HA       TYR1559  39.006 -15.050  -9.698
  388    HB2  TYR1559           HB2      TYR1559  39.636 -12.090  -9.600
  389    HB3  TYR1559           HB3      TYR1559  38.198 -12.814 -10.291
  390    HD1  TYR1559           HD1      TYR1559  38.017 -10.640  -8.412
  391    HD2  TYR1559           HD2      TYR1559  38.179 -14.889  -7.650
  392    HE1  TYR1559           HE1      TYR1559  36.767 -10.317  -6.285
  393    HE2  TYR1559           HE2      TYR1559  36.954 -14.560  -5.532
  394    HH   TYR1559           HH       TYR1559  35.943 -13.057  -4.112
  395    H    VAL1560           H        VAL1560  41.844 -13.077 -10.818
  396    HA   VAL1560           HA       VAL1560  41.473 -14.248 -13.530
  397    HB   VAL1560           HB       VAL1560  39.948 -12.320 -13.164
  398   HG11  VAL1560          HG11      VAL1560  40.721 -10.039 -13.227
  399   HG12  VAL1560          HG12      VAL1560  42.415 -10.556 -13.247
  400   HG13  VAL1560          HG13      VAL1560  41.407 -10.866 -11.827
  401   HG21  VAL1560          HG21      VAL1560  40.127 -11.358 -15.307
  402   HG22  VAL1560          HG22      VAL1560  40.617 -13.052 -15.439
  403   HG23  VAL1560          HG23      VAL1560  41.837 -11.764 -15.461
  404    H    VAL1561           H        VAL1561  43.779 -14.658 -11.802
  405    HA   VAL1561           HA       VAL1561  45.786 -12.751 -12.242
  406    HB   VAL1561           HB       VAL1561  45.975 -14.307 -10.481
  407   HG11  VAL1561          HG11      VAL1561  46.689 -16.617 -10.719
  408   HG12  VAL1561          HG12      VAL1561  46.673 -16.494 -12.485
  409   HG13  VAL1561          HG13      VAL1561  45.155 -16.397 -11.566
  410   HG21  VAL1561          HG21      VAL1561  48.338 -14.755 -10.568
  411   HG22  VAL1561          HG22      VAL1561  48.005 -13.196 -11.337
  412   HG23  VAL1561          HG23      VAL1561  48.357 -14.624 -12.337
  413    H    LYS1562           H        LYS1562  46.946 -12.108 -13.838
  414    HA   LYS1562           HA       LYS1562  47.770 -11.829 -15.949
  415    HB2  LYS1562           HB2      LYS1562  49.526 -13.156 -14.868
  416    HB3  LYS1562           HB3      LYS1562  48.811 -14.653 -15.483
  417    HG2  LYS1562           HG2      LYS1562  49.234 -13.964 -17.792
  418    HG3  LYS1562           HG3      LYS1562  49.748 -12.350 -17.259
  419    HD2  LYS1562           HD2      LYS1562  51.704 -13.285 -16.134
  420    HD3  LYS1562           HD3      LYS1562  51.186 -14.939 -16.539
  421    HE2  LYS1562           HE2      LYS1562  51.384 -14.473 -18.934
  422    HE3  LYS1562           HE3      LYS1562  51.753 -12.772 -18.613
  423    HZ1  LYS1562           HZ1      LYS1562  53.762 -14.092 -19.055
  424    HZ2  LYS1562           HZ2      LYS1562  53.489 -15.031 -17.744
  425    HZ3  LYS1562           HZ3      LYS1562  53.818 -13.425 -17.567
  426    HA   LYS  12           HA       LYS  12  45.976   4.943 -14.686
  427    H    GLY  13           H        GLY  13  47.185   4.256 -16.865
  428    HA2  GLY  13           HA2      GLY  13  49.114   3.835 -18.061
  429    HA3  GLY  13           HA3      GLY  13  49.982   5.018 -17.084
  430    H    GLY  14           H        GLY  14  48.449   2.529 -15.218
  431    HA2  GLY  14           HA2      GLY  14  49.103   0.445 -14.435
  432    HA3  GLY  14           HA3      GLY  14  50.448   0.461 -15.558
  433    H    ALA  15           H        ALA  15  51.815   2.770 -14.632
  434    HA   ALA  15           HA       ALA  15  52.691   2.062 -11.864
  435    HB1  ALA  15           HB1      ALA  15  54.158   0.988 -13.513
  436    HB2  ALA  15           HB2      ALA  15  55.015   2.298 -12.666
  437    HB3  ALA  15           HB3      ALA  15  54.425   2.552 -14.321
  438   HH31  ALY  16           H26      ALY  16  45.385   7.870  -8.787
  439   HH32  ALY  16           H27      ALY  16  45.000   8.064 -10.516
  440   HH33  ALY  16           H28      ALY  16  44.954   9.469  -9.426
  441    HZ   ALY  16           HZ1      ALY  16  47.290   6.837  -9.845
  442    HE3  ALY  16           HE3      ALY  16  49.300   6.998 -11.134
  443    HE2  ALY  16           HE2      ALY  16  49.399   8.726 -10.797
  444    HD3  ALY  16           HD3      ALY  16  49.869   8.307  -8.431
  445    HD2  ALY  16           HD2      ALY  16  49.674   6.559  -8.650
  446    HG3  ALY  16           HG3      ALY  16  51.767   8.183 -10.176
  447    HG2  ALY  16           HG2      ALY  16  52.080   7.456  -8.587
  448    HB3  ALY  16           HB3      ALY  16  51.622   5.232  -9.427
  449    HB2  ALY  16           HB2      ALY  16  51.098   5.869 -10.983
  450    HA   ALY  16           HA       ALY  16  53.312   6.537 -11.583
  451    H    ALY  16           H        ALY  16  53.521   3.732 -10.596
  452    H    ARG  17           H        ARG  17  54.699   7.925 -10.652
  453    HA   ARG  17           HA       ARG  17  55.680   7.514  -7.905
  454    HB2  ARG  17           HB2      ARG  17  57.250   6.241  -9.419
  455    HB3  ARG  17           HB3      ARG  17  57.642   7.759 -10.235
  456    HG2  ARG  17           HG2      ARG  17  58.535   8.682  -8.116
  457    HG3  ARG  17           HG3      ARG  17  58.060   7.199  -7.261
  458    HD2  ARG  17           HD2      ARG  17  59.553   5.892  -8.787
  459    HD3  ARG  17           HD3      ARG  17  60.070   7.416  -9.539
  460    HE   ARG  17           HE       ARG  17  60.478   7.626  -6.736
  461   HH11  ARG  17          HH11      ARG  17  61.844   5.879  -9.462
  462   HH12  ARG  17          HH12      ARG  17  63.408   5.730  -8.688
  463   HH21  ARG  17          HH21      ARG  17  62.489   7.390  -5.809
  464   HH22  ARG  17          HH22      ARG  17  63.755   6.568  -6.670
  465    H    HIS  18           H        HIS  18  55.687   9.386  -6.880
  466    HA   HIS  18           HA       HIS  18  55.030  11.865  -8.209
  467    HB2  HIS  18           HB2      HIS  18  55.713  11.276  -5.310
  468    HB3  HIS  18           HB3      HIS  18  54.979  12.758  -5.912
  469    HD2  HIS  18           HD2      HIS  18  52.380  12.797  -6.197
  470    HE1  HIS  18           HE1      HIS  18  51.534   8.670  -5.530
  471    HE2  HIS  18           HE2      HIS  18  50.505  10.973  -5.889
  472    H    ARG  19           H        ARG  19  56.123  13.891  -7.983
  473    HA   ARG  19           HA       ARG  19  58.783  14.293  -7.064
  Start of MODEL    2
    1    H    SER1503           H        SER1503  39.954   5.613  -4.892
    2    HA   SER1503           HA       SER1503  41.029   3.003  -5.471
    3    HB2  SER1503           HB2      SER1503  41.418   3.933  -7.714
    4    HB3  SER1503           HB3      SER1503  39.789   4.308  -7.121
    5    HG   SER1503           HG       SER1503  40.790   6.163  -8.055
    6    H    LEU1504           H        LEU1504  42.516   5.618  -3.999
    7    HA   LEU1504           HA       LEU1504  45.227   4.496  -4.461
    8    HB2  LEU1504           HB2      LEU1504  45.127   6.152  -6.181
    9    HB3  LEU1504           HB3      LEU1504  44.375   7.328  -5.124
   10    HG   LEU1504           HG       LEU1504  46.484   7.488  -3.796
   11   HD11  LEU1504          HD11      LEU1504  47.499   5.287  -4.377
   12   HD12  LEU1504          HD12      LEU1504  48.575   6.641  -4.764
   13   HD13  LEU1504          HD13      LEU1504  47.679   5.833  -6.064
   14   HD21  LEU1504          HD21      LEU1504  47.698   8.823  -5.391
   15   HD22  LEU1504          HD22      LEU1504  45.956   9.073  -5.614
   16   HD23  LEU1504          HD23      LEU1504  46.861   8.035  -6.742
   17    H    VAL1505           H        VAL1505  43.397   6.980  -2.569
   18    HA   VAL1505           HA       VAL1505  45.567   7.210  -0.682
   19    HB   VAL1505           HB       VAL1505  44.232   8.888   0.450
   20   HG11  VAL1505          HG11      VAL1505  45.586   9.470  -1.523
   21   HG12  VAL1505          HG12      VAL1505  44.164  10.506  -1.341
   22   HG13  VAL1505          HG13      VAL1505  44.168   9.231  -2.573
   23   HG21  VAL1505          HG21      VAL1505  42.060   9.596  -0.379
   24   HG22  VAL1505          HG22      VAL1505  41.957   7.917   0.161
   25   HG23  VAL1505          HG23      VAL1505  42.026   8.291  -1.573
   26    H    THR1506           H        THR1506  44.307   4.536  -0.767
   27    HA   THR1506           HA       THR1506  44.488   3.984   2.031
   28    HB   THR1506           HB       THR1506  41.874   3.325   0.602
   29    HG1  THR1506           HG1      THR1506  42.017   5.256   1.909
   30   HG21  THR1506          HG21      THR1506  42.158   1.260   1.529
   31   HG22  THR1506          HG22      THR1506  41.471   2.078   2.930
   32   HG23  THR1506          HG23      THR1506  43.221   1.811   2.824
   33    H    CYS1507           HN       CYS1507  45.748   2.268   2.053
   34    HA   CYS1507           HA       CYS1507  45.732   0.314  -0.194
   35    HB2  CYS1507           HB2      CYS1507  47.855   1.468   0.339
   36    HB3  CYS1507           HB3      CYS1507  47.814   0.759   1.971
   37    HA   PRO1508           HA       PRO1508  43.359  -2.088   2.960
   38    HB2  PRO1508           HB2      PRO1508  43.196  -3.641   0.355
   39    HB3  PRO1508           HB3      PRO1508  41.988  -3.556   1.672
   40    HG2  PRO1508           HG2      PRO1508  41.671  -1.961  -0.476
   41    HG3  PRO1508           HG3      PRO1508  41.598  -1.174   1.130
   42    HD2  PRO1508           HD2      PRO1508  43.988  -1.411  -0.748
   43    HD3  PRO1508           HD3      PRO1508  43.314   0.042   0.034
   44    H    ILE1509           H        ILE1509  46.135  -2.890   0.949
   45    HA   ILE1509           HA       ILE1509  46.591  -5.511   2.161
   46    HB   ILE1509           HB       ILE1509  48.701  -3.849   0.743
   47   HG12  ILE1509          HG12      ILE1509  46.905  -5.890  -0.614
   48   HG13  ILE1509          HG13      ILE1509  46.581  -4.157  -0.709
   49   HG21  ILE1509          HG21      ILE1509  49.583  -6.178   0.264
   50   HG22  ILE1509          HG22      ILE1509  48.263  -6.829   1.248
   51   HG23  ILE1509          HG23      ILE1509  49.510  -5.805   1.986
   52   HD11  ILE1509          HD11      ILE1509  47.735  -4.812  -2.697
   53   HD12  ILE1509          HD12      ILE1509  49.059  -5.540  -1.782
   54   HD13  ILE1509          HD13      ILE1509  48.802  -3.782  -1.728
   55    H    CYS1510           HN       CYS1510  47.844  -2.219   2.671
   56    HA   CYS1510           HA       CYS1510  49.412  -2.991   5.026
   57    HB2  CYS1510           HB2      CYS1510  48.935  -0.365   3.548
   58    HB3  CYS1510           HB3      CYS1510  49.967  -0.541   4.971
   59    H    HIS1511           H        HIS1511  46.187  -2.295   4.535
   60    HA   HIS1511           HA       HIS1511  44.388  -1.633   5.711
   61    HB2  HIS1511           HB2      HIS1511  45.930  -1.822   8.266
   62    HB3  HIS1511           HB3      HIS1511  44.194  -1.919   8.044
   63    HD2  HIS1511           HD2      HIS1511  43.188  -4.216   6.930
   64    HE1  HIS1511           HE1      HIS1511  46.697  -6.588   7.467
   65    HE2  HIS1511           HE2      HIS1511  44.218  -6.644   6.885
   66    H    ALA1512           H        ALA1512  45.738   0.264   4.486
   67    HA   ALA1512           HA       ALA1512  45.554   2.392   4.041
   68    HB1  ALA1512           HB1      ALA1512  43.261   1.830   4.987
   69    HB2  ALA1512           HB2      ALA1512  43.678   3.538   4.749
   70    HB3  ALA1512           HB3      ALA1512  43.718   2.820   6.379
   71    HA   PRO1513           HA       PRO1513  48.163   4.678   7.277
   72    HB2  PRO1513           HB2      PRO1513  50.600   3.575   7.568
   73    HB3  PRO1513           HB3      PRO1513  49.198   2.957   8.485
   74    HG2  PRO1513           HG2      PRO1513  50.300   1.854   5.869
   75    HG3  PRO1513           HG3      PRO1513  49.978   0.965   7.396
   76    HD2  PRO1513           HD2      PRO1513  48.150   1.079   5.358
   77    HD3  PRO1513           HD3      PRO1513  47.672   1.060   7.088
   78    H    TYR1514           H        TYR1514  47.501   5.404   4.877
   79    HA   TYR1514           HA       TYR1514  49.352   5.105   2.752
   80    HB2  TYR1514           HB2      TYR1514  46.974   5.622   2.435
   81    HB3  TYR1514           HB3      TYR1514  47.202   7.211   3.159
   82    HD1  TYR1514           HD1      TYR1514  48.331   5.040   0.299
   83    HD2  TYR1514           HD2      TYR1514  47.860   9.061   1.813
   84    HE1  TYR1514           HE1      TYR1514  48.964   5.970  -1.929
   85    HE2  TYR1514           HE2      TYR1514  48.469   9.972  -0.412
   86    HH   TYR1514           HH       TYR1514  49.048   9.492  -2.589
   87    H    VAL1515           H        VAL1515  50.937   6.365   1.855
   88    HA   VAL1515           HA       VAL1515  51.891   8.830   3.065
   89    HB   VAL1515           HB       VAL1515  52.645   7.068   4.674
   90   HG11  VAL1515          HG11      VAL1515  54.451   6.061   2.436
   91   HG12  VAL1515          HG12      VAL1515  53.063   5.189   3.124
   92   HG13  VAL1515          HG13      VAL1515  54.464   5.557   4.134
   93   HG21  VAL1515          HG21      VAL1515  54.971   8.428   3.268
   94   HG22  VAL1515          HG22      VAL1515  54.896   7.853   4.940
   95   HG23  VAL1515          HG23      VAL1515  53.870   9.199   4.430
   96    H    GLU1516           H        GLU1516  53.469   9.872   1.787
   97    HA   GLU1516           HA       GLU1516  53.463   9.106  -1.024
   98    HB2  GLU1516           HB2      GLU1516  54.757  11.429   0.452
   99    HB3  GLU1516           HB3      GLU1516  54.675  11.255  -1.306
  100    HG2  GLU1516           HG2      GLU1516  52.180  11.180  -1.155
  101    HG3  GLU1516           HG3      GLU1516  52.301  11.535   0.568
  102    H    GLU1517           H        GLU1517  55.494   8.034   1.408
  103    HA   GLU1517           HA       GLU1517  58.081   8.542   0.383
  104    HB2  GLU1517           HB2      GLU1517  57.581   8.003   2.711
  105    HB3  GLU1517           HB3      GLU1517  57.106   6.359   2.256
  106    HG2  GLU1517           HG2      GLU1517  59.383   5.816   1.593
  107    HG3  GLU1517           HG3      GLU1517  59.868   7.513   1.729
  108    H    ASP1518           H        ASP1518  56.076   5.564  -0.056
  109    HA   ASP1518           HA       ASP1518  58.197   4.391  -1.749
  110    HB2  ASP1518           HB2      ASP1518  56.795   3.083  -0.011
  111    HB3  ASP1518           HB3      ASP1518  55.489   3.165  -1.182
  112    H    LEU1519           H        LEU1519  57.772   3.549  -3.865
  113    HA   LEU1519           HA       LEU1519  55.982   5.229  -5.515
  114    HB2  LEU1519           HB2      LEU1519  57.043   4.443  -7.404
  115    HB3  LEU1519           HB3      LEU1519  58.320   4.593  -6.222
  116    HG   LEU1519           HG       LEU1519  57.803   1.960  -5.854
  117   HD11  LEU1519          HD11      LEU1519  57.019   2.506  -8.769
  118   HD12  LEU1519          HD12      LEU1519  55.951   1.822  -7.534
  119   HD13  LEU1519          HD13      LEU1519  57.358   0.908  -8.077
  120   HD21  LEU1519          HD21      LEU1519  59.559   1.468  -7.488
  121   HD22  LEU1519          HD22      LEU1519  59.971   2.929  -6.580
  122   HD23  LEU1519          HD23      LEU1519  59.349   3.066  -8.240
  123    H    LEU1520           H        LEU1520  54.411   4.223  -6.936
  124    HA   LEU1520           HA       LEU1520  53.045   1.907  -5.657
  125    HB2  LEU1520           HB2      LEU1520  51.740   4.437  -6.704
  126    HB3  LEU1520           HB3      LEU1520  50.935   3.058  -5.994
  127    HG   LEU1520           HG       LEU1520  52.774   3.705  -3.993
  128   HD11  LEU1520          HD11      LEU1520  53.382   5.822  -5.188
  129   HD12  LEU1520          HD12      LEU1520  52.589   6.129  -3.643
  130   HD13  LEU1520          HD13      LEU1520  51.674   6.312  -5.161
  131   HD21  LEU1520          HD21      LEU1520  50.881   4.646  -2.785
  132   HD22  LEU1520          HD22      LEU1520  50.416   3.168  -3.641
  133   HD23  LEU1520          HD23      LEU1520  49.952   4.756  -4.305
  134    H    ILE1521           H        ILE1521  51.654   0.720  -6.860
  135    HA   ILE1521           HA       ILE1521  52.126   0.641  -9.794
  136    HB   ILE1521           HB       ILE1521  53.379  -1.113  -8.770
  137   HG12  ILE1521          HG12      ILE1521  50.850  -2.380  -9.914
  138   HG13  ILE1521          HG13      ILE1521  52.006  -1.493 -10.898
  139   HG21  ILE1521          HG21      ILE1521  52.141  -1.351  -6.602
  140   HG22  ILE1521          HG22      ILE1521  52.452  -2.894  -7.381
  141   HG23  ILE1521          HG23      ILE1521  50.835  -2.175  -7.477
  142   HD11  ILE1521          HD11      ILE1521  52.467  -3.858 -11.071
  143   HD12  ILE1521          HD12      ILE1521  52.589  -4.035  -9.314
  144   HD13  ILE1521          HD13      ILE1521  53.809  -3.090 -10.194
  145    H    GLN1522           H        GLN1522  50.396   0.522 -11.048
  146    HA   GLN1522           HA       GLN1522  47.713   0.645  -9.855
  147    HB2  GLN1522           HB2      GLN1522  48.406   2.353 -11.461
  148    HB3  GLN1522           HB3      GLN1522  48.874   1.145 -12.634
  149    HG2  GLN1522           HG2      GLN1522  46.868   2.242 -13.331
  150    HG3  GLN1522           HG3      GLN1522  46.493   0.561 -12.985
  151   HE21  GLN1522          HE21      GLN1522  44.986   3.423 -12.804
  152   HE22  GLN1522          HE22      GLN1522  44.155   3.184 -11.261
  153    H    CYS1523           HN       CYS1523  46.126  -0.887 -10.120
  154    HA   CYS1523           HA       CYS1523  46.671  -3.424 -11.433
  155    HB2  CYS1523           HB2      CYS1523  45.201  -3.354  -9.507
  156    HB3  CYS1523           HB3      CYS1523  44.159  -2.163 -10.297
  157    H    ARG1524           H        ARG1524  46.805  -3.547 -13.593
  158    HA   ARG1524           HA       ARG1524  45.518  -1.565 -15.337
  159    HB2  ARG1524           HB2      ARG1524  46.662  -2.642 -17.180
  160    HB3  ARG1524           HB3      ARG1524  47.758  -2.205 -15.882
  161    HG2  ARG1524           HG2      ARG1524  48.108  -4.429 -15.204
  162    HG3  ARG1524           HG3      ARG1524  46.682  -5.044 -16.055
  163    HD2  ARG1524           HD2      ARG1524  49.059  -3.804 -17.502
  164    HD3  ARG1524           HD3      ARG1524  48.951  -5.526 -17.109
  165    HE   ARG1524           HE       ARG1524  46.548  -4.694 -18.441
  166   HH11  ARG1524          HH11      ARG1524  49.894  -5.442 -19.268
  167   HH12  ARG1524          HH12      ARG1524  49.470  -5.779 -20.929
  168   HH21  ARG1524          HH21      ARG1524  46.111  -5.155 -20.550
  169   HH22  ARG1524          HH22      ARG1524  47.385  -5.641 -21.624
  170    H    HIS1525           H        HIS1525  43.891  -3.618 -13.778
  171    HA   HIS1525           HA       HIS1525  42.060  -4.304 -16.058
  172    HB2  HIS1525           HB2      HIS1525  42.351  -5.836 -13.456
  173    HB3  HIS1525           HB3      HIS1525  41.209  -6.168 -14.756
  174    HD2  HIS1525           HD2      HIS1525  44.828  -6.625 -13.763
  175    HE1  HIS1525           HE1      HIS1525  44.457  -8.518 -17.561
  176    HE2  HIS1525           HE2      HIS1525  45.982  -8.195 -15.540
  177    H    CYS1526           HN       CYS1526  42.092  -3.505 -12.528
  178    HA   CYS1526           HA       CYS1526  39.464  -2.194 -12.945
  179    HB2  CYS1526           HB2      CYS1526  38.563  -3.247 -11.177
  180    HB3  CYS1526           HB3      CYS1526  39.598  -4.515 -11.798
  181    H    GLU1527           H        GLU1527  42.474  -1.242 -12.512
  182    HA   GLU1527           HA       GLU1527  43.441   0.656 -11.943
  183    HB2  GLU1527           HB2      GLU1527  40.642   1.699 -12.339
  184    HB3  GLU1527           HB3      GLU1527  42.039   2.757 -12.108
  185    HG2  GLU1527           HG2      GLU1527  43.214   1.645 -13.993
  186    HG3  GLU1527           HG3      GLU1527  41.763   0.721 -14.330
  187    H    ARG1528           H        ARG1528  42.816  -0.892  -9.601
  188    HA   ARG1528           HA       ARG1528  42.757   1.198  -7.465
  189    HB2  ARG1528           HB2      ARG1528  42.743  -1.837  -7.475
  190    HB3  ARG1528           HB3      ARG1528  43.281  -0.954  -6.058
  191    HG2  ARG1528           HG2      ARG1528  40.943  -1.619  -5.863
  192    HG3  ARG1528           HG3      ARG1528  41.142   0.141  -5.786
  193    HD2  ARG1528           HD2      ARG1528  40.335   0.393  -8.067
  194    HD3  ARG1528           HD3      ARG1528  40.337  -1.363  -8.292
  195    HE   ARG1528           HE       ARG1528  38.657  -0.467  -6.075
  196   HH11  ARG1528          HH11      ARG1528  38.660  -1.074  -9.523
  197   HH12  ARG1528          HH12      ARG1528  36.923  -1.269  -9.590
  198   HH21  ARG1528          HH21      ARG1528  36.444  -0.730  -6.217
  199   HH22  ARG1528          HH22      ARG1528  35.706  -1.102  -7.743
  200    H    TRP1529           H        TRP1529  44.577   2.176  -6.899
  201    HA   TRP1529           HA       TRP1529  47.227   1.148  -7.626
  202    HB2  TRP1529           HB2      TRP1529  46.304   3.580  -6.071
  203    HB3  TRP1529           HB3      TRP1529  47.982   3.198  -6.395
  204    HD1  TRP1529           HD1      TRP1529  44.842   4.458  -8.126
  205    HE1  TRP1529           HE1      TRP1529  45.430   5.388 -10.446
  206    HE3  TRP1529           HE3      TRP1529  49.755   3.051  -8.324
  207    HZ2  TRP1529           HZ2      TRP1529  47.784   5.630 -12.103
  208    HZ3  TRP1529           HZ3      TRP1529  51.144   3.611 -10.302
  209    HH2  TRP1529           HH2      TRP1529  50.185   4.924 -12.182
  210    H    MET1530           H        MET1530  48.839   0.530  -6.198
  211    HA   MET1530           HA       MET1530  48.452   0.675  -3.310
  212    HB2  MET1530           HB2      MET1530  48.866  -1.652  -2.834
  213    HB3  MET1530           HB3      MET1530  47.452  -1.534  -3.863
  214    HG2  MET1530           HG2      MET1530  49.652  -1.814  -5.640
  215    HG3  MET1530           HG3      MET1530  49.999  -2.893  -4.301
  216    HE1  MET1530           HE1      MET1530  46.494  -3.098  -7.272
  217    HE2  MET1530           HE2      MET1530  47.854  -1.961  -7.284
  218    HE3  MET1530           HE3      MET1530  46.574  -1.812  -6.057
  219    H    HIS1531           H        HIS1531  50.583   0.013  -2.147
  220    HA   HIS1531           HA       HIS1531  52.772   1.350  -3.466
  221    HB2  HIS1531           HB2      HIS1531  53.112  -0.432  -1.059
  222    HB3  HIS1531           HB3      HIS1531  54.028   0.965  -1.530
  223    HD2  HIS1531           HD2      HIS1531  52.913   3.438  -1.090
  224    HE1  HIS1531           HE1      HIS1531  49.970   2.046   1.650
  225    HE2  HIS1531           HE2      HIS1531  51.159   4.106   0.720
  226    H    ALA1532           H        ALA1532  54.868   0.479  -3.999
  227    HA   ALA1532           HA       ALA1532  54.869  -2.062  -5.378
  228    HB1  ALA1532           HB1      ALA1532  57.288  -1.506  -5.629
  229    HB2  ALA1532           HB2      ALA1532  57.076  -0.131  -4.540
  230    HB3  ALA1532           HB3      ALA1532  56.218  -0.186  -6.105
  231    H    GLY1533           H        GLY1533  56.125  -1.009  -2.162
  232    HA2  GLY1533           HA2      GLY1533  57.543  -3.306  -1.468
  233    HA3  GLY1533           HA3      GLY1533  56.766  -2.208  -0.321
  234    H    CYS1534           HN       CYS1534  54.008  -2.732  -0.906
  235    HA   CYS1534           HA       CYS1534  53.637  -5.341   0.320
  236    HB2  CYS1534           HB2      CYS1534  51.232  -4.687   0.254
  237    HB3  CYS1534           HB3      CYS1534  52.265  -3.632   1.176
  238    H    GLU1535           H        GLU1535  54.434  -4.750  -2.708
  239    HA   GLU1535           HA       GLU1535  53.198  -7.259  -3.667
  240    HB2  GLU1535           HB2      GLU1535  53.515  -4.671  -5.217
  241    HB3  GLU1535           HB3      GLU1535  53.358  -6.217  -6.030
  242    HG2  GLU1535           HG2      GLU1535  51.324  -5.037  -4.098
  243    HG3  GLU1535           HG3      GLU1535  51.203  -5.069  -5.846
  244    H    SER1536           H        SER1536  55.815  -6.347  -2.349
  245    HA   SER1536           HA       SER1536  57.970  -6.976  -2.333
  246    HB2  SER1536           HB2      SER1536  56.963  -9.336  -3.947
  247    HB3  SER1536           HB3      SER1536  58.448  -9.274  -2.978
  248    HG   SER1536           HG       SER1536  56.701 -10.245  -1.818
  249    H    LEU1537           H        LEU1537  57.452  -5.107  -4.418
  250    HA   LEU1537           HA       LEU1537  59.828  -5.632  -6.129
  251    HB2  LEU1537           HB2      LEU1537  58.783  -4.792  -8.053
  252    HB3  LEU1537           HB3      LEU1537  57.760  -6.052  -7.409
  253    HG   LEU1537           HG       LEU1537  56.635  -3.792  -6.250
  254   HD11  LEU1537          HD11      LEU1537  56.433  -2.084  -7.949
  255   HD12  LEU1537          HD12      LEU1537  57.405  -3.029  -9.099
  256   HD13  LEU1537          HD13      LEU1537  58.163  -2.333  -7.659
  257   HD21  LEU1537          HD21      LEU1537  54.864  -3.990  -7.921
  258   HD22  LEU1537          HD22      LEU1537  55.407  -5.593  -7.414
  259   HD23  LEU1537          HD23      LEU1537  55.937  -4.941  -8.980
  260    H    PHE1538           H        PHE1538  60.854  -3.601  -6.959
  261    HA   PHE1538           HA       PHE1538  60.565  -1.418  -4.915
  262    HB2  PHE1538           HB2      PHE1538  63.162  -2.751  -5.726
  263    HB3  PHE1538           HB3      PHE1538  62.931  -1.537  -4.467
  264    HD1  PHE1538           HD1      PHE1538  62.715  -5.114  -5.226
  265    HD2  PHE1538           HD2      PHE1538  61.720  -2.024  -2.383
  266    HE1  PHE1538           HE1      PHE1538  62.295  -6.836  -3.495
  267    HE2  PHE1538           HE2      PHE1538  61.330  -3.739  -0.654
  268    HZ   PHE1538           HZ       PHE1538  61.601  -6.159  -1.198
  269    H    THR1539           H        THR1539  60.855  -1.861  -8.303
  270    HA   THR1539           HA       THR1539  61.767   0.982  -8.579
  271    HB   THR1539           HB       THR1539  63.163   0.469 -10.418
  272    HG1  THR1539           HG1      THR1539  63.433  -1.815 -10.987
  273   HG21  THR1539          HG21      THR1539  64.924  -0.891  -9.507
  274   HG22  THR1539          HG22      THR1539  63.814  -1.700  -8.382
  275   HG23  THR1539          HG23      THR1539  64.206   0.025  -8.173
  276    H    GLU1540           H        GLU1540  61.212   2.044 -10.616
  277    HA   GLU1540           HA       GLU1540  58.537   1.474 -11.561
  278    HB2  GLU1540           HB2      GLU1540  60.750   3.169 -12.789
  279    HB3  GLU1540           HB3      GLU1540  59.066   3.123 -13.326
  280    HG2  GLU1540           HG2      GLU1540  58.323   3.962 -11.114
  281    HG3  GLU1540           HG3      GLU1540  59.990   3.994 -10.551
  282    H    ASP1541           H        ASP1541  61.731   0.333 -12.597
  283    HA   ASP1541           HA       ASP1541  60.843  -0.772 -15.130
  284    HB2  ASP1541           HB2      ASP1541  63.210  -1.546 -13.390
  285    HB3  ASP1541           HB3      ASP1541  62.926  -2.074 -15.041
  286    H    ASP1542           H        ASP1542  61.020  -2.112 -11.760
  287    HA   ASP1542           HA       ASP1542  60.083  -4.729 -12.432
  288    HB2  ASP1542           HB2      ASP1542  59.688  -3.064  -9.914
  289    HB3  ASP1542           HB3      ASP1542  59.293  -4.758 -10.127
  290    H    VAL1543           H        VAL1543  58.356  -1.652 -11.719
  291    HA   VAL1543           HA       VAL1543  55.709  -2.803 -11.889
  292    HB   VAL1543           HB       VAL1543  56.595   0.086 -12.291
  293   HG11  VAL1543          HG11      VAL1543  53.855  -1.237 -12.128
  294   HG12  VAL1543          HG12      VAL1543  54.453  -0.114 -13.363
  295   HG13  VAL1543          HG13      VAL1543  54.096   0.472 -11.735
  296   HG21  VAL1543          HG21      VAL1543  55.639   0.397 -10.033
  297   HG22  VAL1543          HG22      VAL1543  57.013  -0.707 -10.025
  298   HG23  VAL1543          HG23      VAL1543  55.361  -1.352  -9.918
  299    H    GLU1544           H        GLU1544  57.773  -1.208 -14.389
  300    HA   GLU1544           HA       GLU1544  55.930  -1.461 -16.520
  301    HB2  GLU1544           HB2      GLU1544  58.111  -0.175 -16.440
  302    HB3  GLU1544           HB3      GLU1544  58.964  -1.674 -16.727
  303    HG2  GLU1544           HG2      GLU1544  56.771  -0.568 -18.540
  304    HG3  GLU1544           HG3      GLU1544  58.463  -0.131 -18.715
  305    H    GLN1545           H        GLN1545  58.403  -3.798 -15.377
  306    HA   GLN1545           HA       GLN1545  57.760  -5.956 -17.110
  307    HB2  GLN1545           HB2      GLN1545  59.748  -5.971 -15.867
  308    HB3  GLN1545           HB3      GLN1545  58.967  -5.739 -14.333
  309    HG2  GLN1545           HG2      GLN1545  58.446  -8.247 -15.976
  310    HG3  GLN1545           HG3      GLN1545  59.915  -8.077 -15.026
  311   HE21  GLN1545          HE21      GLN1545  57.929  -6.508 -12.889
  312   HE22  GLN1545          HE22      GLN1545  57.339  -7.938 -12.066
  313    H    ALA1546           H        ALA1546  56.316  -5.116 -13.901
  314    HA   ALA1546           HA       ALA1546  54.557  -7.363 -13.820
  315    HB1  ALA1546           HB1      ALA1546  54.258  -4.618 -12.528
  316    HB2  ALA1546           HB2      ALA1546  55.173  -5.985 -11.856
  317    HB3  ALA1546           HB3      ALA1546  53.417  -6.107 -12.045
  318    H    ALA1547           H        ALA1547  54.076  -4.086 -15.191
  319    HA   ALA1547           HA       ALA1547  51.338  -4.409 -15.953
  320    HB1  ALA1547           HB1      ALA1547  53.562  -2.718 -17.171
  321    HB2  ALA1547           HB2      ALA1547  52.528  -2.248 -15.798
  322    HB3  ALA1547           HB3      ALA1547  51.817  -2.484 -17.414
  323    H    ASP1548           H        ASP1548  54.396  -5.081 -17.780
  324    HA   ASP1548           HA       ASP1548  53.090  -6.008 -20.170
  325    HB2  ASP1548           HB2      ASP1548  55.470  -5.273 -19.971
  326    HB3  ASP1548           HB3      ASP1548  55.821  -6.721 -19.028
  327    H    GLU1549           H        GLU1549  53.936  -7.596 -17.145
  328    HA   GLU1549           HA       GLU1549  53.179 -10.307 -17.994
  329    HB2  GLU1549           HB2      GLU1549  53.885  -9.027 -15.339
  330    HB3  GLU1549           HB3      GLU1549  53.397 -10.704 -15.447
  331    HG2  GLU1549           HG2      GLU1549  55.743  -9.518 -17.006
  332    HG3  GLU1549           HG3      GLU1549  55.859 -10.272 -15.430
  333    H    GLY1550           H        GLY1550  51.306  -7.683 -17.505
  334    HA2  GLY1550           HA2      GLY1550  48.973  -7.574 -17.594
  335    HA3  GLY1550           HA3      GLY1550  48.891  -9.305 -17.376
  336    H    PHE1551           H        PHE1551  50.459  -7.162 -14.977
  337    HA   PHE1551           HA       PHE1551  49.520  -8.299 -12.748
  338    HB2  PHE1551           HB2      PHE1551  51.260  -6.666 -12.788
  339    HB3  PHE1551           HB3      PHE1551  50.152  -5.381 -13.245
  340    HD1  PHE1551           HD1      PHE1551  48.737  -4.299 -11.579
  341    HD2  PHE1551           HD2      PHE1551  51.344  -7.549 -10.483
  342    HE1  PHE1551           HE1      PHE1551  48.398  -3.759  -9.177
  343    HE2  PHE1551           HE2      PHE1551  51.029  -6.985  -8.081
  344    HZ   PHE1551           HZ       PHE1551  49.542  -5.108  -7.434
  345    H    ASP1552           H        ASP1552  47.694  -8.752 -11.858
  346    HA   ASP1552           HA       ASP1552  45.404  -6.873 -11.717
  347    HB2  ASP1552           HB2      ASP1552  44.136  -8.922 -11.032
  348    HB3  ASP1552           HB3      ASP1552  44.594  -8.871 -12.710
  349    H    CYS1553           HN       CYS1553  44.395  -6.563  -9.714
  350    HA   CYS1553           HA       CYS1553  46.074  -7.133  -7.351
  351    HB2  CYS1553           HB2      CYS1553  45.131  -5.342  -6.278
  352    HB3  CYS1553           HB3      CYS1553  45.438  -4.815  -7.907
  353    H    VAL1554           H        VAL1554  43.209  -6.587  -6.197
  354    HA   VAL1554           HA       VAL1554  42.340  -9.441  -5.839
  355    HB   VAL1554           HB       VAL1554  42.316  -7.095  -3.921
  356   HG11  VAL1554          HG11      VAL1554  40.171  -8.183  -3.632
  357   HG12  VAL1554          HG12      VAL1554  41.239  -8.630  -2.300
  358   HG13  VAL1554          HG13      VAL1554  40.942  -9.792  -3.619
  359   HG21  VAL1554          HG21      VAL1554  43.515  -9.902  -3.811
  360   HG22  VAL1554          HG22      VAL1554  43.604  -8.686  -2.510
  361   HG23  VAL1554          HG23      VAL1554  44.418  -8.386  -4.046
  362    H    SER1555           H        SER1555  41.176  -6.054  -6.120
  363    HA   SER1555           HA       SER1555  38.419  -6.693  -5.902
  364    HB2  SER1555           HB2      SER1555  39.839  -4.264  -7.038
  365    HB3  SER1555           HB3      SER1555  38.124  -4.315  -6.590
  366    HG   SER1555           HG       SER1555  38.747  -4.629  -4.426
  367    H    CYS1556           HN       CYS1556  40.443  -6.931  -8.723
  368    HA   CYS1556           HA       CYS1556  38.476  -6.534 -10.747
  369    HB2  CYS1556           HB2      CYS1556  40.385  -8.198 -11.841
  370    HB3  CYS1556           HB3      CYS1556  40.455  -6.443 -11.789
  371    H    GLN1557           H        GLN1557  39.649  -9.356  -8.925
  372    HA   GLN1557           HA       GLN1557  38.406 -11.369 -10.416
  373    HB2  GLN1557           HB2      GLN1557  39.183 -11.302  -7.474
  374    HB3  GLN1557           HB3      GLN1557  38.566 -12.720  -8.301
  375    HG2  GLN1557           HG2      GLN1557  40.680 -13.186  -8.832
  376    HG3  GLN1557           HG3      GLN1557  40.541 -11.941 -10.065
  377   HE21  GLN1557          HE21      GLN1557  41.911 -10.076  -9.843
  378   HE22  GLN1557          HE22      GLN1557  42.982  -9.919  -8.465
  379    HA   PRO1558           HA       PRO1558  34.324 -11.152  -7.975
  380    HB2  PRO1558           HB2      PRO1558  33.695  -9.104  -6.302
  381    HB3  PRO1558           HB3      PRO1558  34.546 -10.597  -5.796
  382    HG2  PRO1558           HG2      PRO1558  35.756  -7.904  -6.476
  383    HG3  PRO1558           HG3      PRO1558  36.097  -8.991  -5.087
  384    HD2  PRO1558           HD2      PRO1558  37.664  -8.942  -7.314
  385    HD3  PRO1558           HD3      PRO1558  37.383 -10.435  -6.379
  386    H    TYR1559           H        TYR1559  35.624  -7.915  -8.954
  387    HA   TYR1559           HA       TYR1559  32.911  -7.129  -9.837
  388    HB2  TYR1559           HB2      TYR1559  35.398  -5.432  -9.768
  389    HB3  TYR1559           HB3      TYR1559  33.739  -4.895  -9.936
  390    HD1  TYR1559           HD1      TYR1559  36.021  -4.214  -7.856
  391    HD2  TYR1559           HD2      TYR1559  32.429  -6.606  -7.725
  392    HE1  TYR1559           HE1      TYR1559  35.887  -3.874  -5.410
  393    HE2  TYR1559           HE2      TYR1559  32.302  -6.266  -5.270
  394    HH   TYR1559           HH       TYR1559  34.692  -4.291  -3.470
  395    H    VAL1560           H        VAL1560  36.165  -7.058 -11.414
  396    HA   VAL1560           HA       VAL1560  34.965  -6.151 -13.872
  397    HB   VAL1560           HB       VAL1560  37.417  -5.829 -12.846
  398   HG11  VAL1560          HG11      VAL1560  37.948  -7.890 -15.039
  399   HG12  VAL1560          HG12      VAL1560  38.142  -8.214 -13.305
  400   HG13  VAL1560          HG13      VAL1560  39.134  -6.980 -14.085
  401   HG21  VAL1560          HG21      VAL1560  36.783  -5.830 -15.821
  402   HG22  VAL1560          HG22      VAL1560  38.104  -4.951 -15.026
  403   HG23  VAL1560          HG23      VAL1560  36.426  -4.528 -14.662
  404    H    VAL1561           H        VAL1561  35.710  -9.394 -12.757
  405    HA   VAL1561           HA       VAL1561  36.258 -10.627 -15.221
  406    HB   VAL1561           HB       VAL1561  35.092 -11.795 -12.676
  407   HG11  VAL1561          HG11      VAL1561  35.835 -14.005 -13.536
  408   HG12  VAL1561          HG12      VAL1561  36.165 -13.275 -15.123
  409   HG13  VAL1561          HG13      VAL1561  34.505 -13.352 -14.487
  410   HG21  VAL1561          HG21      VAL1561  37.395 -12.619 -12.364
  411   HG22  VAL1561          HG22      VAL1561  37.408 -10.858 -12.539
  412   HG23  VAL1561          HG23      VAL1561  37.893 -11.881 -13.904
  413    H    LYS1562           H        LYS1562  35.166 -10.996 -16.942
  414    HA   LYS1562           HA       LYS1562  33.525 -10.917 -18.505
  415    HB2  LYS1562           HB2      LYS1562  32.198 -12.793 -16.498
  416    HB3  LYS1562           HB3      LYS1562  31.688 -12.586 -18.177
  417    HG2  LYS1562           HG2      LYS1562  33.916 -13.368 -18.961
  418    HG3  LYS1562           HG3      LYS1562  34.439 -13.565 -17.286
  419    HD2  LYS1562           HD2      LYS1562  33.853 -15.720 -18.136
  420    HD3  LYS1562           HD3      LYS1562  32.653 -15.259 -16.920
  421    HE2  LYS1562           HE2      LYS1562  31.072 -14.606 -18.727
  422    HE3  LYS1562           HE3      LYS1562  32.296 -15.004 -19.945
  423    HZ1  LYS1562           HZ1      LYS1562  30.721 -16.837 -19.634
  424    HZ2  LYS1562           HZ2      LYS1562  31.089 -16.962 -18.048
  425    HZ3  LYS1562           HZ3      LYS1562  32.211 -17.323 -19.184
  426    HA   LYS  12           HA       LYS  12  58.030   2.325 -15.505
  427    H    GLY  13           H        GLY  13  55.607   2.608 -18.132
  428    HA2  GLY  13           HA2      GLY  13  53.473   1.736 -18.364
  429    HA3  GLY  13           HA3      GLY  13  53.959   0.442 -17.269
  430    H    GLY  14           H        GLY  14  52.354   0.293 -15.791
  431    HA2  GLY  14           HA2      GLY  14  50.750   2.500 -14.809
  432    HA3  GLY  14           HA3      GLY  14  50.691   0.823 -14.279
  433    H    ALA  15           H        ALA  15  53.396   3.182 -14.148
  434    HA   ALA  15           HA       ALA  15  53.706   2.676 -11.230
  435    HB1  ALA  15           HB1      ALA  15  55.658   2.222 -12.696
  436    HB2  ALA  15           HB2      ALA  15  55.974   3.520 -11.529
  437    HB3  ALA  15           HB3      ALA  15  55.641   3.914 -13.229
  438   HH31  ALY  16           H26      ALY  16  45.179   8.233 -10.249
  439   HH32  ALY  16           H27      ALY  16  44.895   9.441  -8.973
  440   HH33  ALY  16           H28      ALY  16  45.327   7.767  -8.543
  441    HZ   ALY  16           HZ1      ALY  16  47.429   7.004  -9.408
  442    HE3  ALY  16           HE3      ALY  16  49.554   7.403 -10.372
  443    HE2  ALY  16           HE2      ALY  16  49.513   9.087  -9.859
  444    HD3  ALY  16           HD3      ALY  16  49.789   8.455  -7.511
  445    HD2  ALY  16           HD2      ALY  16  49.698   6.737  -7.899
  446    HG3  ALY  16           HG3      ALY  16  51.838   8.585  -9.060
  447    HG2  ALY  16           HG2      ALY  16  52.046   7.699  -7.542
  448    HB3  ALY  16           HB3      ALY  16  51.770   5.562  -8.655
  449    HB2  ALY  16           HB2      ALY  16  51.357   6.346 -10.177
  450    HA   ALY  16           HA       ALY  16  53.564   7.151 -10.520
  451    H    ALY  16           H        ALY  16  53.878   4.292  -9.735
  452    H    ARG  17           H        ARG  17  54.870   8.480  -9.339
  453    HA   ARG  17           HA       ARG  17  55.826   7.661  -6.661
  454    HB2  ARG  17           HB2      ARG  17  57.388   6.636  -8.339
  455    HB3  ARG  17           HB3      ARG  17  57.754   8.251  -8.953
  456    HG2  ARG  17           HG2      ARG  17  58.715   8.888  -6.781
  457    HG3  ARG  17           HG3      ARG  17  58.197   7.346  -6.071
  458    HD2  ARG  17           HD2      ARG  17  60.636   7.416  -6.632
  459    HD3  ARG  17           HD3      ARG  17  59.757   6.097  -7.389
  460    HE   ARG  17           HE       ARG  17  60.170   6.957  -9.493
  461   HH11  ARG  17          HH11      ARG  17  61.000   8.090 -10.969
  462   HH12  ARG  17          HH12      ARG  17  61.769   9.654 -10.673
  463   HH21  ARG  17          HH21      ARG  17  61.089   9.530  -7.266
  464   HH22  ARG  17          HH22      ARG  17  61.799  10.456  -8.561
  465    H    HIS  18           H        HIS  18  56.074   9.323  -5.333
  466    HA   HIS  18           HA       HIS  18  55.275  11.999  -6.226
  467    HB2  HIS  18           HB2      HIS  18  55.915  10.902  -3.467
  468    HB3  HIS  18           HB3      HIS  18  55.221  12.485  -3.806
  469    HD2  HIS  18           HD2      HIS  18  54.229   8.848  -3.380
  470    HE1  HIS  18           HE1      HIS  18  50.684  10.856  -4.644
  471    HE2  HIS  18           HE2      HIS  18  51.611   8.693  -3.686
  472    H    ARG  19           H        ARG  19  56.368  13.957  -5.598
  473    HA   ARG  19           HA       ARG  19  59.056  14.148  -4.670
  Start of MODEL    3
    1    H    SER1503           H        SER1503  41.379   5.210  -3.337
    2    HA   SER1503           HA       SER1503  43.142   3.352  -2.264
    3    HB2  SER1503           HB2      SER1503  44.131   2.160  -4.053
    4    HB3  SER1503           HB3      SER1503  42.395   1.904  -4.165
    5    HG   SER1503           HG       SER1503  42.340   3.533  -5.817
    6    H    LEU1504           H        LEU1504  45.371   3.736  -4.085
    7    HA   LEU1504           HA       LEU1504  47.148   5.049  -4.308
    8    HB2  LEU1504           HB2      LEU1504  46.049   6.004  -6.125
    9    HB3  LEU1504           HB3      LEU1504  45.045   7.047  -5.170
   10    HG   LEU1504           HG       LEU1504  47.060   8.379  -4.506
   11   HD11  LEU1504          HD11      LEU1504  48.832   6.711  -4.662
   12   HD12  LEU1504          HD12      LEU1504  49.172   8.022  -5.782
   13   HD13  LEU1504          HD13      LEU1504  48.519   6.488  -6.406
   14   HD21  LEU1504          HD21      LEU1504  45.727   8.985  -6.497
   15   HD22  LEU1504          HD22      LEU1504  46.766   7.941  -7.495
   16   HD23  LEU1504          HD23      LEU1504  47.444   9.385  -6.704
   17    H    VAL1505           H        VAL1505  45.117   7.523  -2.557
   18    HA   VAL1505           HA       VAL1505  47.411   8.123  -0.834
   19    HB   VAL1505           HB       VAL1505  45.976   9.805   0.185
   20   HG11  VAL1505          HG11      VAL1505  45.774  11.279  -1.720
   21   HG12  VAL1505          HG12      VAL1505  45.840   9.914  -2.854
   22   HG13  VAL1505          HG13      VAL1505  47.258  10.321  -1.865
   23   HG21  VAL1505          HG21      VAL1505  43.771   8.659   0.014
   24   HG22  VAL1505          HG22      VAL1505  43.800   8.893  -1.749
   25   HG23  VAL1505          HG23      VAL1505  43.743  10.291  -0.662
   26    H    THR1506           H        THR1506  45.588   5.524  -0.806
   27    HA   THR1506           HA       THR1506  46.134   4.884   1.938
   28    HB   THR1506           HB       THR1506  43.292   4.735   0.845
   29    HG1  THR1506           HG1      THR1506  43.868   6.551   2.140
   30   HG21  THR1506          HG21      THR1506  44.606   2.888   2.810
   31   HG22  THR1506          HG22      THR1506  43.286   2.619   1.672
   32   HG23  THR1506          HG23      THR1506  42.974   3.474   3.179
   33    H    CYS1507           HN       CYS1507  47.120   3.013   1.752
   34    HA   CYS1507           HA       CYS1507  46.511   1.149  -0.488
   35    HB2  CYS1507           HB2      CYS1507  48.842   1.872  -0.253
   36    HB3  CYS1507           HB3      CYS1507  48.872   1.266   1.415
   37    HA   PRO1508           HA       PRO1508  44.111  -0.768   3.005
   38    HB2  PRO1508           HB2      PRO1508  43.366  -2.331   0.503
   39    HB3  PRO1508           HB3      PRO1508  42.356  -1.983   1.937
   40    HG2  PRO1508           HG2      PRO1508  42.091  -0.429  -0.239
   41    HG3  PRO1508           HG3      PRO1508  42.337   0.404   1.335
   42    HD2  PRO1508           HD2      PRO1508  44.423  -0.294  -0.776
   43    HD3  PRO1508           HD3      PRO1508  44.116   1.271   0.018
   44    H    ILE1509           H        ILE1509  46.428  -2.095   0.729
   45    HA   ILE1509           HA       ILE1509  46.559  -4.753   1.925
   46    HB   ILE1509           HB       ILE1509  48.710  -3.479   0.205
   47   HG12  ILE1509          HG12      ILE1509  46.202  -4.938  -0.759
   48   HG13  ILE1509          HG13      ILE1509  46.524  -3.214  -0.971
   49   HG21  ILE1509          HG21      ILE1509  49.248  -5.610   1.364
   50   HG22  ILE1509          HG22      ILE1509  49.164  -5.845  -0.371
   51   HG23  ILE1509          HG23      ILE1509  47.799  -6.355   0.647
   52   HD11  ILE1509          HD11      ILE1509  48.542  -3.765  -2.327
   53   HD12  ILE1509          HD12      ILE1509  46.995  -4.281  -3.031
   54   HD13  ILE1509          HD13      ILE1509  48.055  -5.477  -2.278
   55    H    CYS1510           HN       CYS1510  48.347  -1.704   2.324
   56    HA   CYS1510           HA       CYS1510  50.050  -2.852   4.455
   57    HB2  CYS1510           HB2      CYS1510  50.104  -0.217   2.933
   58    HB3  CYS1510           HB3      CYS1510  51.235  -0.669   4.211
   59    H    HIS1511           H        HIS1511  47.054  -1.487   4.403
   60    HA   HIS1511           HA       HIS1511  45.644  -0.440   5.832
   61    HB2  HIS1511           HB2      HIS1511  47.626  -0.726   8.061
   62    HB3  HIS1511           HB3      HIS1511  45.896  -0.507   8.182
   63    HD2  HIS1511           HD2      HIS1511  45.296  -2.945   5.899
   64    HE1  HIS1511           HE1      HIS1511  46.603  -5.384   9.141
   65    HE2  HIS1511           HE2      HIS1511  45.362  -5.367   6.916
   66    H    ALA1512           H        ALA1512  47.018   1.082   4.188
   67    HA   ALA1512           HA       ALA1512  47.160   3.177   3.589
   68    HB1  ALA1512           HB1      ALA1512  45.644   4.686   4.499
   69    HB2  ALA1512           HB2      ALA1512  45.846   4.048   6.146
   70    HB3  ALA1512           HB3      ALA1512  44.995   3.091   4.924
   71    HA   PRO1513           HA       PRO1513  50.672   5.113   6.104
   72    HB2  PRO1513           HB2      PRO1513  52.930   3.714   5.525
   73    HB3  PRO1513           HB3      PRO1513  51.918   3.339   6.956
   74    HG2  PRO1513           HG2      PRO1513  51.895   1.961   4.244
   75    HG3  PRO1513           HG3      PRO1513  51.952   1.218   5.870
   76    HD2  PRO1513           HD2      PRO1513  49.618   1.505   4.487
   77    HD3  PRO1513           HD3      PRO1513  49.692   1.652   6.274
   78    H    TYR1514           H        TYR1514  51.643   6.731   4.815
   79    HA   TYR1514           HA       TYR1514  52.062   6.209   1.931
   80    HB2  TYR1514           HB2      TYR1514  49.608   6.720   2.340
   81    HB3  TYR1514           HB3      TYR1514  50.091   8.328   2.859
   82    HD1  TYR1514           HD1      TYR1514  50.226   5.891   0.027
   83    HD2  TYR1514           HD2      TYR1514  50.481  10.041   1.195
   84    HE1  TYR1514           HE1      TYR1514  50.216   6.560  -2.358
   85    HE2  TYR1514           HE2      TYR1514  50.452  10.715  -1.205
   86    HH   TYR1514           HH       TYR1514  50.429   9.998  -3.396
   87    H    VAL1515           H        VAL1515  53.531   7.378   0.989
   88    HA   VAL1515           HA       VAL1515  54.352  10.044   1.854
   89    HB   VAL1515           HB       VAL1515  56.781   9.466   1.748
   90   HG11  VAL1515          HG11      VAL1515  55.387   8.103   4.075
   91   HG12  VAL1515          HG12      VAL1515  55.624   9.856   3.914
   92   HG13  VAL1515          HG13      VAL1515  57.024   8.779   4.039
   93   HG21  VAL1515          HG21      VAL1515  55.888   6.579   2.136
   94   HG22  VAL1515          HG22      VAL1515  57.547   7.190   2.214
   95   HG23  VAL1515          HG23      VAL1515  56.672   7.235   0.680
   96    H    GLU1516           H        GLU1516  55.293  11.238   0.162
   97    HA   GLU1516           HA       GLU1516  54.362  10.485  -2.428
   98    HB2  GLU1516           HB2      GLU1516  54.490  12.776  -1.557
   99    HB3  GLU1516           HB3      GLU1516  56.257  12.703  -1.577
  100    HG2  GLU1516           HG2      GLU1516  56.290  12.606  -3.997
  101    HG3  GLU1516           HG3      GLU1516  54.547  12.325  -4.059
  102    H    GLU1517           H        GLU1517  57.583  10.149  -0.989
  103    HA   GLU1517           HA       GLU1517  58.995   9.832  -3.475
  104    HB2  GLU1517           HB2      GLU1517  60.904   9.295  -2.147
  105    HB3  GLU1517           HB3      GLU1517  60.037  10.646  -1.411
  106    HG2  GLU1517           HG2      GLU1517  58.978   9.007   0.198
  107    HG3  GLU1517           HG3      GLU1517  60.017   7.744  -0.470
  108    H    ASP1518           H        ASP1518  57.049   7.502  -1.783
  109    HA   ASP1518           HA       ASP1518  58.462   5.160  -2.902
  110    HB2  ASP1518           HB2      ASP1518  55.917   5.427  -1.277
  111    HB3  ASP1518           HB3      ASP1518  56.449   3.916  -2.010
  112    H    LEU1519           H        LEU1519  58.153   4.380  -4.865
  113    HA   LEU1519           HA       LEU1519  56.109   5.487  -6.606
  114    HB2  LEU1519           HB2      LEU1519  57.170   4.401  -8.370
  115    HB3  LEU1519           HB3      LEU1519  58.433   4.946  -7.291
  116    HG   LEU1519           HG       LEU1519  57.963   2.317  -6.399
  117   HD11  LEU1519          HD11      LEU1519  57.912   2.402  -9.455
  118   HD12  LEU1519          HD12      LEU1519  56.560   1.898  -8.420
  119   HD13  LEU1519          HD13      LEU1519  58.064   0.946  -8.441
  120   HD21  LEU1519          HD21      LEU1519  60.114   1.809  -7.479
  121   HD22  LEU1519          HD22      LEU1519  60.156   3.373  -6.655
  122   HD23  LEU1519          HD23      LEU1519  60.000   3.319  -8.424
  123    H    LEU1520           H        LEU1520  54.621   4.245  -7.892
  124    HA   LEU1520           HA       LEU1520  53.266   2.088  -6.335
  125    HB2  LEU1520           HB2      LEU1520  52.009   4.543  -7.612
  126    HB3  LEU1520           HB3      LEU1520  51.150   3.247  -6.817
  127    HG   LEU1520           HG       LEU1520  53.000   4.096  -4.849
  128   HD11  LEU1520          HD11      LEU1520  52.637   6.530  -4.713
  129   HD12  LEU1520          HD12      LEU1520  51.720   6.509  -6.231
  130   HD13  LEU1520          HD13      LEU1520  53.460   6.132  -6.228
  131   HD21  LEU1520          HD21      LEU1520  50.708   3.409  -4.421
  132   HD22  LEU1520          HD22      LEU1520  50.089   4.835  -5.281
  133   HD23  LEU1520          HD23      LEU1520  50.992   5.013  -3.751
  134    H    ILE1521           H        ILE1521  51.627   0.967  -7.396
  135    HA   ILE1521           HA       ILE1521  51.703   0.777 -10.353
  136    HB   ILE1521           HB       ILE1521  53.254  -0.884  -9.373
  137   HG12  ILE1521          HG12      ILE1521  50.823  -2.208 -10.642
  138   HG13  ILE1521          HG13      ILE1521  52.035  -1.262 -11.515
  139   HG21  ILE1521          HG21      ILE1521  52.518  -2.774  -8.050
  140   HG22  ILE1521          HG22      ILE1521  50.832  -2.233  -8.115
  141   HG23  ILE1521          HG23      ILE1521  52.042  -1.297  -7.216
  142   HD11  ILE1521          HD11      ILE1521  53.801  -2.852 -10.671
  143   HD12  ILE1521          HD12      ILE1521  52.610  -3.570 -11.777
  144   HD13  ILE1521          HD13      ILE1521  52.501  -3.875 -10.035
  145    H    GLN1522           H        GLN1522  49.708   0.074 -11.258
  146    HA   GLN1522           HA       GLN1522  47.479  -0.304  -9.299
  147    HB2  GLN1522           HB2      GLN1522  45.907   0.508 -10.968
  148    HB3  GLN1522           HB3      GLN1522  46.978   1.763 -10.373
  149    HG2  GLN1522           HG2      GLN1522  48.246   1.769 -12.407
  150    HG3  GLN1522           HG3      GLN1522  47.501   0.269 -12.965
  151   HE21  GLN1522          HE21      GLN1522  45.051   2.368 -11.645
  152   HE22  GLN1522          HE22      GLN1522  44.523   2.921 -13.242
  153    H    CYS1523           HN       CYS1523  45.909  -1.743  -9.726
  154    HA   CYS1523           HA       CYS1523  46.490  -4.160 -11.131
  155    HB2  CYS1523           HB2      CYS1523  45.008  -3.885  -9.193
  156    HB3  CYS1523           HB3      CYS1523  43.909  -2.865 -10.129
  157    H    ARG1524           H        ARG1524  46.361  -4.562 -13.297
  158    HA   ARG1524           HA       ARG1524  45.374  -2.504 -15.158
  159    HB2  ARG1524           HB2      ARG1524  46.231  -5.347 -15.823
  160    HB3  ARG1524           HB3      ARG1524  46.105  -3.982 -16.928
  161    HG2  ARG1524           HG2      ARG1524  48.184  -4.442 -14.778
  162    HG3  ARG1524           HG3      ARG1524  48.412  -4.339 -16.514
  163    HD2  ARG1524           HD2      ARG1524  47.698  -2.048 -14.645
  164    HD3  ARG1524           HD3      ARG1524  49.265  -2.355 -15.365
  165    HE   ARG1524           HE       ARG1524  46.901  -1.166 -16.663
  166   HH11  ARG1524          HH11      ARG1524  49.983  -2.714 -17.516
  167   HH12  ARG1524          HH12      ARG1524  50.247  -1.518 -18.774
  168   HH21  ARG1524          HH21      ARG1524  47.318   0.114 -18.474
  169   HH22  ARG1524          HH22      ARG1524  48.809  -0.144 -19.350
  170    H    HIS1525           H        HIS1525  43.635  -4.498 -13.297
  171    HA   HIS1525           HA       HIS1525  41.526  -5.074 -15.339
  172    HB2  HIS1525           HB2      HIS1525  42.031  -6.496 -12.710
  173    HB3  HIS1525           HB3      HIS1525  40.913  -6.957 -13.986
  174    HD2  HIS1525           HD2      HIS1525  44.662  -6.920 -13.118
  175    HE1  HIS1525           HE1      HIS1525  44.350  -9.094 -16.766
  176    HE2  HIS1525           HE2      HIS1525  45.936  -8.381 -14.896
  177    H    CYS1526           HN       CYS1526  42.020  -3.748 -12.037
  178    HA   CYS1526           HA       CYS1526  39.366  -2.443 -12.330
  179    HB2  CYS1526           HB2      CYS1526  38.734  -2.956 -10.173
  180    HB3  CYS1526           HB3      CYS1526  39.414  -4.466 -10.778
  181    H    GLU1527           H        GLU1527  42.514  -1.671 -12.338
  182    HA   GLU1527           HA       GLU1527  43.706   0.202 -12.157
  183    HB2  GLU1527           HB2      GLU1527  40.969   1.498 -12.181
  184    HB3  GLU1527           HB3      GLU1527  42.459   2.408 -12.153
  185    HG2  GLU1527           HG2      GLU1527  43.079   0.749 -14.197
  186    HG3  GLU1527           HG3      GLU1527  41.327   0.710 -14.339
  187    H    ARG1528           H        ARG1528  42.262  -0.783  -9.335
  188    HA   ARG1528           HA       ARG1528  42.841   1.448  -7.622
  189    HB2  ARG1528           HB2      ARG1528  42.540  -1.537  -7.150
  190    HB3  ARG1528           HB3      ARG1528  43.145  -0.499  -5.866
  191    HG2  ARG1528           HG2      ARG1528  40.742  -0.842  -5.648
  192    HG3  ARG1528           HG3      ARG1528  41.143   0.862  -5.874
  193    HD2  ARG1528           HD2      ARG1528  40.474   0.747  -8.232
  194    HD3  ARG1528           HD3      ARG1528  40.134  -0.989  -8.057
  195    HE   ARG1528           HE       ARG1528  38.609   0.457  -6.128
  196   HH11  ARG1528          HH11      ARG1528  38.678  -0.067  -9.594
  197   HH12  ARG1528          HH12      ARG1528  36.961   0.221  -9.766
  198   HH21  ARG1528          HH21      ARG1528  36.425   0.808  -6.414
  199   HH22  ARG1528          HH22      ARG1528  35.722   0.699  -8.001
  200    H    TRP1529           H        TRP1529  44.576   2.193  -6.661
  201    HA   TRP1529           HA       TRP1529  47.225   1.297  -7.602
  202    HB2  TRP1529           HB2      TRP1529  46.231   3.744  -6.126
  203    HB3  TRP1529           HB3      TRP1529  47.926   3.476  -6.520
  204    HD1  TRP1529           HD1      TRP1529  44.653   4.571  -8.064
  205    HE1  TRP1529           HE1      TRP1529  45.012   5.316 -10.490
  206    HE3  TRP1529           HE3      TRP1529  49.498   3.040  -8.644
  207    HZ2  TRP1529           HZ2      TRP1529  47.142   5.253 -12.441
  208    HZ3  TRP1529           HZ3      TRP1529  50.643   3.307 -10.831
  209    HH2  TRP1529           HH2      TRP1529  49.493   4.446 -12.722
  210    H    MET1530           H        MET1530  48.952   0.795  -6.334
  211    HA   MET1530           HA       MET1530  48.883   0.935  -3.397
  212    HB2  MET1530           HB2      MET1530  49.403  -1.413  -3.072
  213    HB3  MET1530           HB3      MET1530  47.866  -1.256  -3.894
  214    HG2  MET1530           HG2      MET1530  49.656  -1.461  -6.030
  215    HG3  MET1530           HG3      MET1530  50.403  -2.471  -4.807
  216    HE1  MET1530           HE1      MET1530  47.590  -1.865  -7.271
  217    HE2  MET1530           HE2      MET1530  46.586  -1.753  -5.812
  218    HE3  MET1530           HE3      MET1530  46.365  -3.107  -6.934
  219    H    HIS1531           H        HIS1531  51.126   0.394  -2.502
  220    HA   HIS1531           HA       HIS1531  53.195   1.747  -3.970
  221    HB2  HIS1531           HB2      HIS1531  53.751  -0.205  -1.724
  222    HB3  HIS1531           HB3      HIS1531  54.615   1.240  -2.152
  223    HD2  HIS1531           HD2      HIS1531  53.751   3.560  -1.110
  224    HE1  HIS1531           HE1      HIS1531  51.009   1.826   1.631
  225    HE2  HIS1531           HE2      HIS1531  52.246   3.940   1.018
  226    H    ALA1532           H        ALA1532  55.355   0.730  -4.557
  227    HA   ALA1532           HA       ALA1532  55.088  -1.764  -6.025
  228    HB1  ALA1532           HB1      ALA1532  57.615  -0.263  -5.217
  229    HB2  ALA1532           HB2      ALA1532  56.597   0.119  -6.619
  230    HB3  ALA1532           HB3      ALA1532  57.425  -1.446  -6.536
  231    H    GLY1533           H        GLY1533  55.959  -1.095  -2.670
  232    HA2  GLY1533           HA2      GLY1533  57.531  -3.483  -2.252
  233    HA3  GLY1533           HA3      GLY1533  56.940  -2.366  -1.027
  234    H    CYS1534           HN       CYS1534  54.038  -2.905  -2.000
  235    HA   CYS1534           HA       CYS1534  53.308  -4.681  -0.011
  236    HB2  CYS1534           HB2      CYS1534  51.503  -4.502  -2.366
  237    HB3  CYS1534           HB3      CYS1534  51.148  -4.274  -0.666
  238    H    GLU1535           H        GLU1535  53.577  -5.356  -3.486
  239    HA   GLU1535           HA       GLU1535  53.520  -8.302  -3.030
  240    HB2  GLU1535           HB2      GLU1535  53.166  -6.666  -5.565
  241    HB3  GLU1535           HB3      GLU1535  53.125  -8.429  -5.488
  242    HG2  GLU1535           HG2      GLU1535  51.193  -6.512  -4.118
  243    HG3  GLU1535           HG3      GLU1535  50.856  -7.516  -5.511
  244    H    SER1536           H        SER1536  55.859  -6.491  -2.467
  245    HA   SER1536           HA       SER1536  58.095  -6.502  -2.590
  246    HB2  SER1536           HB2      SER1536  57.483  -8.766  -1.739
  247    HB3  SER1536           HB3      SER1536  57.813  -9.420  -3.350
  248    HG   SER1536           HG       SER1536  59.966  -8.729  -3.137
  249    H    LEU1537           H        LEU1537  56.933  -5.569  -5.060
  250    HA   LEU1537           HA       LEU1537  58.763  -6.375  -7.237
  251    HB2  LEU1537           HB2      LEU1537  56.981  -3.913  -7.046
  252    HB3  LEU1537           HB3      LEU1537  57.722  -4.564  -8.487
  253    HG   LEU1537           HG       LEU1537  55.575  -6.011  -6.857
  254   HD11  LEU1537          HD11      LEU1537  55.320  -4.441  -9.433
  255   HD12  LEU1537          HD12      LEU1537  54.708  -3.933  -7.832
  256   HD13  LEU1537          HD13      LEU1537  54.037  -5.361  -8.623
  257   HD21  LEU1537          HD21      LEU1537  56.673  -6.512  -9.652
  258   HD22  LEU1537          HD22      LEU1537  55.327  -7.382  -8.881
  259   HD23  LEU1537          HD23      LEU1537  56.970  -7.532  -8.224
  260    H    PHE1538           H        PHE1538  58.212  -3.492  -5.350
  261    HA   PHE1538           HA       PHE1538  59.401  -1.948  -4.256
  262    HB2  PHE1538           HB2      PHE1538  60.420  -3.834  -3.135
  263    HB3  PHE1538           HB3      PHE1538  61.659  -3.953  -4.385
  264    HD1  PHE1538           HD1      PHE1538  60.388  -1.732  -1.661
  265    HD2  PHE1538           HD2      PHE1538  63.620  -2.660  -4.367
  266    HE1  PHE1538           HE1      PHE1538  61.872  -0.155  -0.445
  267    HE2  PHE1538           HE2      PHE1538  65.090  -1.100  -3.151
  268    HZ   PHE1538           HZ       PHE1538  64.229   0.166  -1.177
  269    H    THR1539           H        THR1539  61.506  -3.127  -6.926
  270    HA   THR1539           HA       THR1539  62.636  -0.459  -7.368
  271    HB   THR1539           HB       THR1539  63.771  -1.419  -9.256
  272    HG1  THR1539           HG1      THR1539  63.385  -3.688  -9.715
  273   HG21  THR1539          HG21      THR1539  64.655  -1.979  -6.968
  274   HG22  THR1539          HG22      THR1539  65.081  -3.163  -8.216
  275   HG23  THR1539          HG23      THR1539  63.790  -3.529  -7.053
  276    H    GLU1540           H        GLU1540  62.362   0.788  -9.316
  277    HA   GLU1540           HA       GLU1540  59.657   1.004 -10.307
  278    HB2  GLU1540           HB2      GLU1540  61.393   2.823 -10.182
  279    HB3  GLU1540           HB3      GLU1540  62.232   2.069 -11.538
  280    HG2  GLU1540           HG2      GLU1540  60.323   2.441 -12.999
  281    HG3  GLU1540           HG3      GLU1540  59.320   2.956 -11.645
  282    H    ASP1541           H        ASP1541  62.557  -0.709 -11.426
  283    HA   ASP1541           HA       ASP1541  61.622  -1.463 -14.006
  284    HB2  ASP1541           HB2      ASP1541  63.582  -2.887 -12.173
  285    HB3  ASP1541           HB3      ASP1541  63.360  -3.210 -13.887
  286    H    ASP1542           H        ASP1542  61.187  -3.241 -10.789
  287    HA   ASP1542           HA       ASP1542  59.933  -5.460 -12.199
  288    HB2  ASP1542           HB2      ASP1542  60.234  -4.653  -9.305
  289    HB3  ASP1542           HB3      ASP1542  59.225  -6.000  -9.806
  290    H    VAL1543           H        VAL1543  58.785  -2.404 -10.839
  291    HA   VAL1543           HA       VAL1543  55.951  -3.077 -11.096
  292    HB   VAL1543           HB       VAL1543  57.522  -0.536 -10.728
  293   HG11  VAL1543          HG11      VAL1543  55.814   0.255 -12.200
  294   HG12  VAL1543          HG12      VAL1543  55.354   0.720 -10.567
  295   HG13  VAL1543          HG13      VAL1543  54.546  -0.657 -11.350
  296   HG21  VAL1543          HG21      VAL1543  56.073  -0.441  -8.686
  297   HG22  VAL1543          HG22      VAL1543  57.072  -1.911  -8.762
  298   HG23  VAL1543          HG23      VAL1543  55.337  -1.971  -9.148
  299    H    GLU1544           H        GLU1544  58.253  -1.291 -13.230
  300    HA   GLU1544           HA       GLU1544  56.440  -0.870 -15.382
  301    HB2  GLU1544           HB2      GLU1544  59.454  -1.183 -15.159
  302    HB3  GLU1544           HB3      GLU1544  58.709  -1.014 -16.735
  303    HG2  GLU1544           HG2      GLU1544  58.404   0.962 -14.433
  304    HG3  GLU1544           HG3      GLU1544  59.546   1.122 -15.763
  305    H    GLN1545           H        GLN1545  58.529  -3.714 -14.697
  306    HA   GLN1545           HA       GLN1545  57.638  -5.244 -16.989
  307    HB2  GLN1545           HB2      GLN1545  59.230  -5.775 -14.526
  308    HB3  GLN1545           HB3      GLN1545  58.264  -7.135 -15.048
  309    HG2  GLN1545           HG2      GLN1545  60.518  -7.208 -16.007
  310    HG3  GLN1545           HG3      GLN1545  59.249  -7.189 -17.229
  311   HE21  GLN1545          HE21      GLN1545  60.454  -4.261 -15.496
  312   HE22  GLN1545          HE22      GLN1545  61.140  -3.549 -16.960
  313    H    ALA1546           H        ALA1546  56.508  -5.270 -13.512
  314    HA   ALA1546           HA       ALA1546  54.698  -7.354 -14.043
  315    HB1  ALA1546           HB1      ALA1546  54.638  -5.236 -11.849
  316    HB2  ALA1546           HB2      ALA1546  55.466  -6.811 -11.787
  317    HB3  ALA1546           HB3      ALA1546  53.703  -6.750 -11.834
  318    H    ALA1547           H        ALA1547  54.206  -3.817 -14.167
  319    HA   ALA1547           HA       ALA1547  51.390  -3.839 -14.603
  320    HB1  ALA1547           HB1      ALA1547  51.779  -1.536 -15.359
  321    HB2  ALA1547           HB2      ALA1547  53.528  -1.854 -15.485
  322    HB3  ALA1547           HB3      ALA1547  52.723  -1.870 -13.894
  323    H    ASP1548           H        ASP1548  54.139  -3.885 -16.990
  324    HA   ASP1548           HA       ASP1548  52.427  -3.948 -19.310
  325    HB2  ASP1548           HB2      ASP1548  54.829  -3.279 -19.288
  326    HB3  ASP1548           HB3      ASP1548  55.278  -4.941 -18.913
  327    H    GLU1549           H        GLU1549  53.671  -6.442 -17.152
  328    HA   GLU1549           HA       GLU1549  52.753  -8.722 -18.742
  329    HB2  GLU1549           HB2      GLU1549  53.796  -8.441 -15.912
  330    HB3  GLU1549           HB3      GLU1549  53.363  -9.990 -16.606
  331    HG2  GLU1549           HG2      GLU1549  55.363  -8.249 -18.074
  332    HG3  GLU1549           HG3      GLU1549  55.822  -9.119 -16.621
  333    H    GLY1550           H        GLY1550  50.922  -6.508 -17.290
  334    HA2  GLY1550           HA2      GLY1550  48.611  -6.521 -16.975
  335    HA3  GLY1550           HA3      GLY1550  48.597  -8.251 -17.253
  336    H    PHE1551           H        PHE1551  50.420  -6.624 -14.631
  337    HA   PHE1551           HA       PHE1551  49.815  -8.120 -12.484
  338    HB2  PHE1551           HB2      PHE1551  51.375  -6.285 -12.467
  339    HB3  PHE1551           HB3      PHE1551  50.091  -5.100 -12.668
  340    HD1  PHE1551           HD1      PHE1551  48.700  -4.423 -10.753
  341    HD2  PHE1551           HD2      PHE1551  51.823  -7.370 -10.314
  342    HE1  PHE1551           HE1      PHE1551  48.627  -4.139  -8.304
  343    HE2  PHE1551           HE2      PHE1551  51.758  -7.064  -7.849
  344    HZ   PHE1551           HZ       PHE1551  50.160  -5.445  -6.843
  345    H    ASP1552           H        ASP1552  48.280  -8.496 -11.007
  346    HA   ASP1552           HA       ASP1552  45.720  -7.008 -11.042
  347    HB2  ASP1552           HB2      ASP1552  44.727  -9.247 -10.309
  348    HB3  ASP1552           HB3      ASP1552  45.051  -8.969 -12.001
  349    H    CYS1553           HN       CYS1553  44.793  -6.453  -9.125
  350    HA   CYS1553           HA       CYS1553  46.390  -6.572  -6.748
  351    HB2  CYS1553           HB2      CYS1553  44.737  -5.253  -5.752
  352    HB3  CYS1553           HB3      CYS1553  44.775  -4.744  -7.405
  353    H    VAL1554           H        VAL1554  45.104  -7.067  -4.682
  354    HA   VAL1554           HA       VAL1554  45.165  -9.883  -4.426
  355    HB   VAL1554           HB       VAL1554  43.890  -8.271  -2.247
  356   HG11  VAL1554          HG11      VAL1554  44.406 -10.697  -2.080
  357   HG12  VAL1554          HG12      VAL1554  45.376  -9.748  -0.928
  358   HG13  VAL1554          HG13      VAL1554  46.108 -10.345  -2.443
  359   HG21  VAL1554          HG21      VAL1554  46.833  -8.005  -3.024
  360   HG22  VAL1554          HG22      VAL1554  46.154  -7.559  -1.442
  361   HG23  VAL1554          HG23      VAL1554  45.641  -6.687  -2.882
  362    H    SER1555           H        SER1555  42.437  -7.658  -4.761
  363    HA   SER1555           HA       SER1555  40.356  -9.617  -4.114
  364    HB2  SER1555           HB2      SER1555  40.162  -7.154  -3.745
  365    HB3  SER1555           HB3      SER1555  40.174  -6.919  -5.504
  366    HG   SER1555           HG       SER1555  38.040  -7.000  -4.587
  367    H    CYS1556           HN       CYS1556  42.081  -8.634  -7.047
  368    HA   CYS1556           HA       CYS1556  40.077  -9.687  -8.850
  369    HB2  CYS1556           HB2      CYS1556  42.790  -8.426  -9.111
  370    HB3  CYS1556           HB3      CYS1556  42.095  -9.312 -10.478
  371    H    GLN1557           H        GLN1557  42.735 -11.092  -7.060
  372    HA   GLN1557           HA       GLN1557  43.299 -13.328  -8.680
  373    HB2  GLN1557           HB2      GLN1557  43.206 -13.425  -5.647
  374    HB3  GLN1557           HB3      GLN1557  44.113 -14.438  -6.750
  375    HG2  GLN1557           HG2      GLN1557  44.526 -11.498  -6.211
  376    HG3  GLN1557           HG3      GLN1557  45.539 -12.803  -5.627
  377   HE21  GLN1557          HE21      GLN1557  45.814 -10.343  -7.591
  378   HE22  GLN1557          HE22      GLN1557  46.776 -11.055  -8.869
  379    HA   PRO1558           HA       PRO1558  39.480 -15.735  -7.149
  380    HB2  PRO1558           HB2      PRO1558  37.514 -14.554  -5.665
  381    HB3  PRO1558           HB3      PRO1558  38.890 -15.476  -4.994
  382    HG2  PRO1558           HG2      PRO1558  38.611 -12.481  -5.284
  383    HG3  PRO1558           HG3      PRO1558  39.202 -13.440  -3.887
  384    HD2  PRO1558           HD2      PRO1558  40.956 -12.279  -5.607
  385    HD3  PRO1558           HD3      PRO1558  41.252 -13.873  -4.873
  386    H    TYR1559           H        TYR1559  38.611 -12.175  -7.562
  387    HA   TYR1559           HA       TYR1559  36.242 -12.953  -8.998
  388    HB2  TYR1559           HB2      TYR1559  37.550 -10.257  -8.611
  389    HB3  TYR1559           HB3      TYR1559  36.055 -10.482  -9.502
  390    HD1  TYR1559           HD1      TYR1559  37.209  -9.555  -6.365
  391    HD2  TYR1559           HD2      TYR1559  34.255 -12.090  -8.222
  392    HE1  TYR1559           HE1      TYR1559  35.865  -9.498  -4.286
  393    HE2  TYR1559           HE2      TYR1559  32.903 -12.034  -6.135
  394    HH   TYR1559           HH       TYR1559  33.929 -10.201  -3.226
  395    H    VAL1560           H        VAL1560  39.376 -11.782 -10.326
  396    HA   VAL1560           HA       VAL1560  38.239 -11.665 -12.992
  397    HB   VAL1560           HB       VAL1560  40.193 -10.255 -11.849
  398   HG11  VAL1560          HG11      VAL1560  42.378 -10.715 -12.717
  399   HG12  VAL1560          HG12      VAL1560  41.812 -12.108 -13.648
  400   HG13  VAL1560          HG13      VAL1560  41.872 -12.188 -11.884
  401   HG21  VAL1560          HG21      VAL1560  40.767  -9.471 -14.095
  402   HG22  VAL1560          HG22      VAL1560  39.025  -9.722 -13.923
  403   HG23  VAL1560          HG23      VAL1560  40.008 -10.914 -14.804
  404    H    VAL1561           H        VAL1561  39.900 -14.251 -11.316
  405    HA   VAL1561           HA       VAL1561  39.895 -15.880 -13.787
  406    HB   VAL1561           HB       VAL1561  42.005 -14.612 -13.829
  407   HG11  VAL1561          HG11      VAL1561  42.848 -16.183 -11.357
  408   HG12  VAL1561          HG12      VAL1561  42.442 -14.453 -11.370
  409   HG13  VAL1561          HG13      VAL1561  43.821 -15.045 -12.304
  410   HG21  VAL1561          HG21      VAL1561  42.491 -17.579 -13.395
  411   HG22  VAL1561          HG22      VAL1561  43.486 -16.446 -14.326
  412   HG23  VAL1561          HG23      VAL1561  41.853 -16.842 -14.883
  413    H    LYS1562           H        LYS1562  40.435 -15.815 -10.266
  414    HA   LYS1562           HA       LYS1562  40.373 -17.401  -8.648
  415    HB2  LYS1562           HB2      LYS1562  37.969 -17.459  -9.497
  416    HB3  LYS1562           HB3      LYS1562  38.395 -18.912 -10.401
  417    HG2  LYS1562           HG2      LYS1562  39.025 -20.049  -8.283
  418    HG3  LYS1562           HG3      LYS1562  38.662 -18.567  -7.375
  419    HD2  LYS1562           HD2      LYS1562  36.295 -18.695  -8.120
  420    HD3  LYS1562           HD3      LYS1562  36.660 -20.181  -9.023
  421    HE2  LYS1562           HE2      LYS1562  37.366 -21.288  -6.907
  422    HE3  LYS1562           HE3      LYS1562  36.991 -19.814  -6.005
  423    HZ1  LYS1562           HZ1      LYS1562  35.153 -21.410  -5.909
  424    HZ2  LYS1562           HZ2      LYS1562  35.004 -21.424  -7.535
  425    HZ3  LYS1562           HZ3      LYS1562  34.657 -20.067  -6.692
  426    HA   LYS  12           HA       LYS  12  52.379  -0.962 -21.587
  427    H    GLY  13           H        GLY  13  53.096   1.980 -19.690
  428    HA2  GLY  13           HA2      GLY  13  51.825   3.237 -18.214
  429    HA3  GLY  13           HA3      GLY  13  50.381   2.425 -18.814
  430    H    GLY  14           H        GLY  14  49.696   2.578 -16.560
  431    HA2  GLY  14           HA2      GLY  14  48.964   1.373 -14.754
  432    HA3  GLY  14           HA3      GLY  14  50.004   0.030 -15.215
  433    H    ALA  15           H        ALA  15  51.774   2.941 -14.774
  434    HA   ALA  15           HA       ALA  15  52.523   2.264 -11.965
  435    HB1  ALA  15           HB1      ALA  15  54.078   1.195 -13.559
  436    HB2  ALA  15           HB2      ALA  15  54.873   2.477 -12.616
  437    HB3  ALA  15           HB3      ALA  15  54.402   2.776 -14.300
  438   HH31  ALY  16           H26      ALY  16  45.544  10.831  -9.525
  439   HH32  ALY  16           H27      ALY  16  45.354   9.114  -9.116
  440   HH33  ALY  16           H28      ALY  16  45.291   9.628 -10.811
  441    HZ   ALY  16           HZ1      ALY  16  46.976   7.640 -10.202
  442    HE3  ALY  16           HE3      ALY  16  49.022   7.121 -11.134
  443    HE2  ALY  16           HE2      ALY  16  49.483   8.823 -11.116
  444    HD3  ALY  16           HD3      ALY  16  49.798   8.639  -8.599
  445    HD2  ALY  16           HD2      ALY  16  49.534   6.892  -8.738
  446    HG3  ALY  16           HG3      ALY  16  51.689   8.424 -10.278
  447    HG2  ALY  16           HG2      ALY  16  51.960   7.661  -8.700
  448    HB3  ALY  16           HB3      ALY  16  51.471   5.466  -9.586
  449    HB2  ALY  16           HB2      ALY  16  50.949   6.138 -11.130
  450    HA   ALY  16           HA       ALY  16  53.161   6.763 -11.751
  451    H    ALY  16           H        ALY  16  53.439   3.977 -10.731
  452    H    ARG  17           H        ARG  17  54.300   8.301 -10.605
  453    HA   ARG  17           HA       ARG  17  55.488   7.669  -7.985
  454    HB2  ARG  17           HB2      ARG  17  57.033   6.666  -9.730
  455    HB3  ARG  17           HB3      ARG  17  57.369   8.302 -10.306
  456    HG2  ARG  17           HG2      ARG  17  58.308   8.908  -8.107
  457    HG3  ARG  17           HG3      ARG  17  57.804   7.344  -7.440
  458    HD2  ARG  17           HD2      ARG  17  59.278   6.209  -9.153
  459    HD3  ARG  17           HD3      ARG  17  59.875   7.813  -9.626
  460    HE   ARG  17           HE       ARG  17  60.209   7.661  -6.842
  461   HH11  ARG  17          HH11      ARG  17  63.323   6.218  -6.687
  462   HH12  ARG  17          HH12      ARG  17  62.117   7.145  -5.848
  463   HH21  ARG  17          HH21      ARG  17  61.483   5.857  -9.590
  464   HH22  ARG  17          HH22      ARG  17  62.983   5.518  -8.760
  465    H    HIS  18           H        HIS  18  55.474  10.011 -10.668
  466    HA   HIS  18           HA       HIS  18  55.400  12.269 -10.791
  467    HB2  HIS  18           HB2      HIS  18  54.162  12.188  -8.024
  468    HB3  HIS  18           HB3      HIS  18  54.161  13.556  -9.121
  469    HD2  HIS  18           HD2      HIS  18  51.771  11.215  -7.993
  470    HE1  HIS  18           HE1      HIS  18  50.690  11.724 -12.086
  471    HE2  HIS  18           HE2      HIS  18  49.872  10.939  -9.813
  472    H    ARG  19           H        ARG  19  56.031  14.419  -9.598
  473    HA   ARG  19           HA       ARG  19  57.774  15.762  -8.907
  Start of MODEL    4
    1    H    SER1503           H        SER1503  42.864  10.190   0.756
    2    HA   SER1503           HA       SER1503  45.323   9.110  -0.372
    3    HB2  SER1503           HB2      SER1503  43.687   7.353   1.500
    4    HB3  SER1503           HB3      SER1503  45.001   6.789   0.454
    5    HG   SER1503           HG       SER1503  45.226   8.706   2.563
    6    H    LEU1504           H        LEU1504  44.985   7.673  -2.106
    7    HA   LEU1504           HA       LEU1504  42.277   7.718  -3.360
    8    HB2  LEU1504           HB2      LEU1504  45.021   6.846  -4.383
    9    HB3  LEU1504           HB3      LEU1504  43.516   6.538  -5.236
   10    HG   LEU1504           HG       LEU1504  43.088   9.023  -5.329
   11   HD11  LEU1504          HD11      LEU1504  45.995   9.154  -4.438
   12   HD12  LEU1504          HD12      LEU1504  44.603   9.874  -3.590
   13   HD13  LEU1504          HD13      LEU1504  45.094  10.497  -5.162
   14   HD21  LEU1504          HD21      LEU1504  45.594   7.869  -6.625
   15   HD22  LEU1504          HD22      LEU1504  44.747   9.334  -7.184
   16   HD23  LEU1504          HD23      LEU1504  43.928   7.775  -7.248
   17    H    VAL1505           H        VAL1505  44.639   5.558  -1.988
   18    HA   VAL1505           HA       VAL1505  42.660   3.522  -1.362
   19    HB   VAL1505           HB       VAL1505  45.275   2.783  -2.748
   20   HG11  VAL1505          HG11      VAL1505  43.141   1.031  -1.435
   21   HG12  VAL1505          HG12      VAL1505  44.823   1.235  -0.883
   22   HG13  VAL1505          HG13      VAL1505  44.500   0.434  -2.412
   23   HG21  VAL1505          HG21      VAL1505  42.361   2.312  -3.539
   24   HG22  VAL1505          HG22      VAL1505  43.763   1.572  -4.337
   25   HG23  VAL1505          HG23      VAL1505  43.549   3.329  -4.394
   26    H    THR1506           H        THR1506  42.821   3.447   0.739
   27    HA   THR1506           HA       THR1506  44.873   4.828   2.214
   28    HB   THR1506           HB       THR1506  42.371   3.299   2.910
   29    HG1  THR1506           HG1      THR1506  41.489   5.348   2.980
   30   HG21  THR1506          HG21      THR1506  42.210   4.664   5.013
   31   HG22  THR1506          HG22      THR1506  43.903   5.137   4.791
   32   HG23  THR1506          HG23      THR1506  43.463   3.435   5.099
   33    H    CYS1507           HN       CYS1507  45.826   2.373   0.858
   34    HA   CYS1507           HA       CYS1507  46.161   0.070   1.415
   35    HB2  CYS1507           HB2      CYS1507  48.025   1.538   0.459
   36    HB3  CYS1507           HB3      CYS1507  48.722   1.526   2.098
   37    HA   PRO1508           HA       PRO1508  45.651  -0.300   6.004
   38    HB2  PRO1508           HB2      PRO1508  44.403  -2.787   4.776
   39    HB3  PRO1508           HB3      PRO1508  43.968  -1.960   6.297
   40    HG2  PRO1508           HG2      PRO1508  42.528  -1.410   4.073
   41    HG3  PRO1508           HG3      PRO1508  43.157  -0.015   5.016
   42    HD2  PRO1508           HD2      PRO1508  44.373  -1.323   2.550
   43    HD3  PRO1508           HD3      PRO1508  44.046   0.401   2.856
   44    H    ILE1509           H        ILE1509  47.066  -2.373   3.542
   45    HA   ILE1509           HA       ILE1509  48.332  -4.315   5.211
   46    HB   ILE1509           HB       ILE1509  49.567  -3.281   2.645
   47   HG12  ILE1509          HG12      ILE1509  47.272  -5.287   2.759
   48   HG13  ILE1509          HG13      ILE1509  47.121  -3.628   2.166
   49   HG21  ILE1509          HG21      ILE1509  49.351  -6.036   3.934
   50   HG22  ILE1509          HG22      ILE1509  50.768  -4.967   4.031
   51   HG23  ILE1509          HG23      ILE1509  50.301  -5.644   2.478
   52   HD11  ILE1509          HD11      ILE1509  47.287  -5.044   0.265
   53   HD12  ILE1509          HD12      ILE1509  48.758  -5.819   0.869
   54   HD13  ILE1509          HD13      ILE1509  48.789  -4.107   0.381
   55    H    CYS1510           HN       CYS1510  49.254  -1.056   4.219
   56    HA   CYS1510           HA       CYS1510  51.761  -1.108   5.800
   57    HB2  CYS1510           HB2      CYS1510  50.710   0.710   3.593
   58    HB3  CYS1510           HB3      CYS1510  52.276   0.885   4.393
   59    H    HIS1511           H        HIS1511  48.610  -0.204   6.204
   60    HA   HIS1511           HA       HIS1511  47.346   1.200   7.335
   61    HB2  HIS1511           HB2      HIS1511  47.979   2.048   9.544
   62    HB3  HIS1511           HB3      HIS1511  48.067   0.324   9.290
   63    HD2  HIS1511           HD2      HIS1511  50.343   3.370   9.939
   64    HE1  HIS1511           HE1      HIS1511  52.684  -0.113  10.699
   65    HE2  HIS1511           HE2      HIS1511  52.633   2.425  10.854
   66    H    ALA1512           H        ALA1512  47.853   2.214   5.206
   67    HA   ALA1512           HA       ALA1512  47.537   4.000   4.003
   68    HB1  ALA1512           HB1      ALA1512  46.849   5.446   6.565
   69    HB2  ALA1512           HB2      ALA1512  45.837   4.199   5.812
   70    HB3  ALA1512           HB3      ALA1512  46.185   5.707   4.937
   71    HA   PRO1513           HA       PRO1513  51.252   6.861   4.748
   72    HB2  PRO1513           HB2      PRO1513  53.537   5.563   4.129
   73    HB3  PRO1513           HB3      PRO1513  52.804   5.431   5.752
   74    HG2  PRO1513           HG2      PRO1513  52.487   3.489   3.431
   75    HG3  PRO1513           HG3      PRO1513  52.977   3.127   5.116
   76    HD2  PRO1513           HD2      PRO1513  50.379   2.888   4.288
   77    HD3  PRO1513           HD3      PRO1513  50.813   3.471   5.927
   78    H    TYR1514           H        TYR1514  49.636   7.268   2.865
   79    HA   TYR1514           HA       TYR1514  50.484   6.395   0.216
   80    HB2  TYR1514           HB2      TYR1514  48.107   6.801   1.040
   81    HB3  TYR1514           HB3      TYR1514  48.408   8.514   0.771
   82    HD1  TYR1514           HD1      TYR1514  48.659   9.373  -1.570
   83    HD2  TYR1514           HD2      TYR1514  48.046   5.173  -0.785
   84    HE1  TYR1514           HE1      TYR1514  48.301   8.965  -3.988
   85    HE2  TYR1514           HE2      TYR1514  47.642   4.773  -3.200
   86    HH   TYR1514           HH       TYR1514  47.436   5.758  -5.316
   87    H    VAL1515           H        VAL1515  52.711   7.312   0.975
   88    HA   VAL1515           HA       VAL1515  53.252  10.144   0.499
   89    HB   VAL1515           HB       VAL1515  55.071   7.725   0.797
   90   HG11  VAL1515          HG11      VAL1515  56.879   9.415   1.207
   91   HG12  VAL1515          HG12      VAL1515  55.771  10.695   0.659
   92   HG13  VAL1515          HG13      VAL1515  56.304   9.408  -0.456
   93   HG21  VAL1515          HG21      VAL1515  54.359   9.985   2.723
   94   HG22  VAL1515          HG22      VAL1515  55.544   8.696   3.025
   95   HG23  VAL1515          HG23      VAL1515  53.834   8.290   2.863
   96    H    GLU1516           H        GLU1516  53.437  11.084  -1.436
   97    HA   GLU1516           HA       GLU1516  52.969   9.676  -3.834
   98    HB2  GLU1516           HB2      GLU1516  54.094  12.497  -3.523
   99    HB3  GLU1516           HB3      GLU1516  53.276  11.815  -4.919
  100    HG2  GLU1516           HG2      GLU1516  51.481  12.847  -4.101
  101    HG3  GLU1516           HG3      GLU1516  51.305  11.383  -3.143
  102    H    GLU1517           H        GLU1517  56.075  10.456  -2.384
  103    HA   GLU1517           HA       GLU1517  57.632   9.898  -4.801
  104    HB2  GLU1517           HB2      GLU1517  58.446  11.465  -3.108
  105    HB3  GLU1517           HB3      GLU1517  58.390  10.220  -1.874
  106    HG2  GLU1517           HG2      GLU1517  60.676  10.722  -2.665
  107    HG3  GLU1517           HG3      GLU1517  60.224   9.036  -2.820
  108    H    ASP1518           H        ASP1518  56.233   7.907  -2.277
  109    HA   ASP1518           HA       ASP1518  58.003   5.597  -2.801
  110    HB2  ASP1518           HB2      ASP1518  55.506   5.878  -1.091
  111    HB3  ASP1518           HB3      ASP1518  56.405   4.382  -1.344
  112    H    LEU1519           H        LEU1519  57.813   5.188  -4.924
  113    HA   LEU1519           HA       LEU1519  55.636   5.569  -6.517
  114    HB2  LEU1519           HB2      LEU1519  56.795   4.502  -8.255
  115    HB3  LEU1519           HB3      LEU1519  57.980   5.242  -7.208
  116    HG   LEU1519           HG       LEU1519  57.928   2.682  -6.156
  117   HD11  LEU1519          HD11      LEU1519  58.003   1.125  -8.065
  118   HD12  LEU1519          HD12      LEU1519  57.568   2.436  -9.184
  119   HD13  LEU1519          HD13      LEU1519  56.398   1.882  -7.970
  120   HD21  LEU1519          HD21      LEU1519  60.002   2.315  -7.460
  121   HD22  LEU1519          HD22      LEU1519  59.938   3.917  -6.712
  122   HD23  LEU1519          HD23      LEU1519  59.608   3.746  -8.449
  123    H    LEU1520           H        LEU1520  54.050   4.500  -7.497
  124    HA   LEU1520           HA       LEU1520  53.041   2.098  -6.051
  125    HB2  LEU1520           HB2      LEU1520  51.430   4.363  -7.268
  126    HB3  LEU1520           HB3      LEU1520  50.796   2.942  -6.469
  127    HG   LEU1520           HG       LEU1520  52.499   3.944  -4.510
  128   HD11  LEU1520          HD11      LEU1520  51.980   6.330  -4.301
  129   HD12  LEU1520          HD12      LEU1520  51.044   6.306  -5.810
  130   HD13  LEU1520          HD13      LEU1520  52.810   6.056  -5.838
  131   HD21  LEU1520          HD21      LEU1520  50.443   4.675  -3.388
  132   HD22  LEU1520          HD22      LEU1520  50.209   3.110  -4.171
  133   HD23  LEU1520          HD23      LEU1520  49.558   4.585  -4.927
  134    H    ILE1521           H        ILE1521  51.775   0.645  -7.081
  135    HA   ILE1521           HA       ILE1521  51.917   0.397 -10.039
  136    HB   ILE1521           HB       ILE1521  53.298  -1.306  -8.910
  137   HG12  ILE1521          HG12      ILE1521  50.773  -2.616 -10.009
  138   HG13  ILE1521          HG13      ILE1521  51.965  -1.781 -11.017
  139   HG21  ILE1521          HG21      ILE1521  50.753  -2.221  -7.500
  140   HG22  ILE1521          HG22      ILE1521  52.145  -1.439  -6.728
  141   HG23  ILE1521          HG23      ILE1521  52.333  -3.027  -7.442
  142   HD11  ILE1521          HD11      ILE1521  52.416  -4.272  -9.332
  143   HD12  ILE1521          HD12      ILE1521  53.721  -3.370 -10.145
  144   HD13  ILE1521          HD13      ILE1521  52.420  -4.132 -11.094
  145    H    GLN1522           H        GLN1522  49.918  -0.515 -10.957
  146    HA   GLN1522           HA       GLN1522  47.611  -0.632  -9.080
  147    HB2  GLN1522           HB2      GLN1522  46.168   0.373 -10.828
  148    HB3  GLN1522           HB3      GLN1522  47.319   1.501 -10.153
  149    HG2  GLN1522           HG2      GLN1522  48.462   1.731 -12.147
  150    HG3  GLN1522           HG3      GLN1522  48.273   0.048 -12.577
  151   HE21  GLN1522          HE21      GLN1522  46.117   2.943 -12.219
  152   HE22  GLN1522          HE22      GLN1522  45.237   2.581 -13.708
  153    H    CYS1523           HN       CYS1523  45.879  -1.938  -9.676
  154    HA   CYS1523           HA       CYS1523  46.455  -4.292 -11.249
  155    HB2  CYS1523           HB2      CYS1523  44.838  -4.354  -9.433
  156    HB3  CYS1523           HB3      CYS1523  43.849  -3.106 -10.215
  157    H    ARG1524           H        ARG1524  46.459  -4.455 -13.392
  158    HA   ARG1524           HA       ARG1524  45.770  -2.198 -15.126
  159    HB2  ARG1524           HB2      ARG1524  46.617  -5.040 -15.830
  160    HB3  ARG1524           HB3      ARG1524  46.588  -3.661 -16.934
  161    HG2  ARG1524           HG2      ARG1524  48.381  -3.953 -14.472
  162    HG3  ARG1524           HG3      ARG1524  48.878  -4.153 -16.140
  163    HD2  ARG1524           HD2      ARG1524  47.834  -1.544 -14.956
  164    HD3  ARG1524           HD3      ARG1524  49.529  -1.970 -15.137
  165    HE   ARG1524           HE       ARG1524  49.159  -2.155 -17.601
  166   HH11  ARG1524          HH11      ARG1524  48.557  -1.031 -19.386
  167   HH12  ARG1524          HH12      ARG1524  47.422   0.272 -19.258
  168   HH21  ARG1524          HH21      ARG1524  46.942   0.033 -15.866
  169   HH22  ARG1524          HH22      ARG1524  46.528   0.828 -17.350
  170    H    HIS1525           H        HIS1525  43.744  -4.158 -13.626
  171    HA   HIS1525           HA       HIS1525  41.724  -4.232 -15.836
  172    HB2  HIS1525           HB2      HIS1525  41.888  -6.137 -13.482
  173    HB3  HIS1525           HB3      HIS1525  40.882  -6.263 -14.923
  174    HD2  HIS1525           HD2      HIS1525  44.461  -6.843 -13.681
  175    HE1  HIS1525           HE1      HIS1525  44.444  -8.165 -17.728
  176    HE2  HIS1525           HE2      HIS1525  45.826  -8.038 -15.581
  177    H    CYS1526           HN       CYS1526  42.289  -3.529 -12.403
  178    HA   CYS1526           HA       CYS1526  39.560  -2.407 -12.109
  179    HB2  CYS1526           HB2      CYS1526  41.653  -3.195 -10.037
  180    HB3  CYS1526           HB3      CYS1526  40.008  -2.647  -9.703
  181    H    GLU1527           H        GLU1527  42.877  -1.401 -12.295
  182    HA   GLU1527           HA       GLU1527  44.042   0.462 -12.025
  183    HB2  GLU1527           HB2      GLU1527  41.447   1.962 -12.454
  184    HB3  GLU1527           HB3      GLU1527  43.075   2.630 -12.513
  185    HG2  GLU1527           HG2      GLU1527  43.474   0.636 -14.257
  186    HG3  GLU1527           HG3      GLU1527  41.728   0.769 -14.444
  187    H    ARG1528           H        ARG1528  42.615  -0.685  -9.551
  188    HA   ARG1528           HA       ARG1528  42.876   1.493  -7.575
  189    HB2  ARG1528           HB2      ARG1528  42.451  -1.507  -7.497
  190    HB3  ARG1528           HB3      ARG1528  43.048  -0.709  -6.059
  191    HG2  ARG1528           HG2      ARG1528  40.556  -1.106  -6.198
  192    HG3  ARG1528           HG3      ARG1528  41.085   0.479  -5.686
  193    HD2  ARG1528           HD2      ARG1528  40.350   0.004  -8.582
  194    HD3  ARG1528           HD3      ARG1528  39.094   0.197  -7.368
  195    HE   ARG1528           HE       ARG1528  40.412   2.363  -6.740
  196   HH11  ARG1528          HH11      ARG1528  40.263   4.409  -7.537
  197   HH12  ARG1528          HH12      ARG1528  39.881   4.668  -9.209
  198   HH21  ARG1528          HH21      ARG1528  39.747   1.347 -10.056
  199   HH22  ARG1528          HH22      ARG1528  39.526   2.994 -10.577
  200    H    TRP1529           H        TRP1529  44.650   2.011  -6.411
  201    HA   TRP1529           HA       TRP1529  47.256   1.076  -7.432
  202    HB2  TRP1529           HB2      TRP1529  46.429   3.503  -5.804
  203    HB3  TRP1529           HB3      TRP1529  48.079   3.138  -6.286
  204    HD1  TRP1529           HD1      TRP1529  44.806   4.441  -7.704
  205    HE1  TRP1529           HE1      TRP1529  45.111   5.194 -10.134
  206    HE3  TRP1529           HE3      TRP1529  49.597   2.829  -8.440
  207    HZ2  TRP1529           HZ2      TRP1529  47.221   5.190 -12.119
  208    HZ3  TRP1529           HZ3      TRP1529  50.723   3.191 -10.607
  209    HH2  TRP1529           HH2      TRP1529  49.558   4.393 -12.456
  210    H    MET1530           H        MET1530  48.987   0.467  -6.199
  211    HA   MET1530           HA       MET1530  48.813   0.135  -3.253
  212    HB2  MET1530           HB2      MET1530  50.058  -2.019  -4.963
  213    HB3  MET1530           HB3      MET1530  49.518  -2.084  -3.291
  214    HG2  MET1530           HG2      MET1530  47.987  -3.404  -4.367
  215    HG3  MET1530           HG3      MET1530  47.117  -1.876  -4.288
  216    HE1  MET1530           HE1      MET1530  45.779  -3.272  -7.631
  217    HE2  MET1530           HE2      MET1530  45.405  -2.466  -6.090
  218    HE3  MET1530           HE3      MET1530  46.071  -4.117  -6.088
  219    H    HIS1531           H        HIS1531  51.009   0.028  -2.262
  220    HA   HIS1531           HA       HIS1531  53.093   1.461  -3.718
  221    HB2  HIS1531           HB2      HIS1531  53.490  -0.258  -1.251
  222    HB3  HIS1531           HB3      HIS1531  54.493   1.050  -1.806
  223    HD2  HIS1531           HD2      HIS1531  53.529   3.611  -1.429
  224    HE1  HIS1531           HE1      HIS1531  50.775   2.476   1.598
  225    HE2  HIS1531           HE2      HIS1531  52.034   4.419   0.563
  226    H    ALA1532           H        ALA1532  55.122   0.588  -4.508
  227    HA   ALA1532           HA       ALA1532  54.992  -1.935  -5.818
  228    HB1  ALA1532           HB1      ALA1532  57.379  -1.555  -6.251
  229    HB2  ALA1532           HB2      ALA1532  57.440  -0.312  -4.982
  230    HB3  ALA1532           HB3      ALA1532  56.464  -0.046  -6.439
  231    H    GLY1533           H        GLY1533  56.286  -1.126  -2.587
  232    HA2  GLY1533           HA2      GLY1533  57.689  -3.558  -2.122
  233    HA3  GLY1533           HA3      GLY1533  57.190  -2.392  -0.900
  234    H    CYS1534           HN       CYS1534  54.318  -2.629  -1.100
  235    HA   CYS1534           HA       CYS1534  53.913  -5.103   0.321
  236    HB2  CYS1534           HB2      CYS1534  51.555  -4.361   0.448
  237    HB3  CYS1534           HB3      CYS1534  52.749  -3.292   1.152
  238    H    GLU1535           H        GLU1535  53.546  -4.254  -3.016
  239    HA   GLU1535           HA       GLU1535  52.432  -6.944  -3.608
  240    HB2  GLU1535           HB2      GLU1535  52.978  -4.612  -5.472
  241    HB3  GLU1535           HB3      GLU1535  52.174  -6.130  -5.897
  242    HG2  GLU1535           HG2      GLU1535  51.185  -4.009  -3.944
  243    HG3  GLU1535           HG3      GLU1535  50.511  -4.405  -5.495
  244    H    SER1536           H        SER1536  55.323  -6.108  -2.724
  245    HA   SER1536           HA       SER1536  57.336  -7.020  -2.816
  246    HB2  SER1536           HB2      SER1536  55.992  -9.361  -4.189
  247    HB3  SER1536           HB3      SER1536  57.522  -9.392  -3.309
  248    HG   SER1536           HG       SER1536  56.432  -8.941  -1.393
  249    H    LEU1537           H        LEU1537  56.686  -5.349  -5.259
  250    HA   LEU1537           HA       LEU1537  58.637  -6.456  -7.204
  251    HB2  LEU1537           HB2      LEU1537  57.206  -3.779  -7.150
  252    HB3  LEU1537           HB3      LEU1537  58.393  -4.262  -8.339
  253    HG   LEU1537           HG       LEU1537  56.503  -4.625  -9.493
  254   HD11  LEU1537          HD11      LEU1537  57.731  -6.720  -9.569
  255   HD12  LEU1537          HD12      LEU1537  55.997  -6.991  -9.726
  256   HD13  LEU1537          HD13      LEU1537  56.791  -7.345  -8.188
  257   HD21  LEU1537          HD21      LEU1537  55.063  -5.742  -7.093
  258   HD22  LEU1537          HD22      LEU1537  54.404  -5.519  -8.731
  259   HD23  LEU1537          HD23      LEU1537  54.886  -4.106  -7.767
  260    H    PHE1538           H        PHE1538  60.723  -5.950  -7.342
  261    HA   PHE1538           HA       PHE1538  62.021  -4.889  -5.000
  262    HB2  PHE1538           HB2      PHE1538  62.886  -6.751  -6.336
  263    HB3  PHE1538           HB3      PHE1538  63.073  -5.699  -7.734
  264    HD1  PHE1538           HD1      PHE1538  65.130  -4.742  -8.198
  265    HD2  PHE1538           HD2      PHE1538  64.234  -5.979  -4.157
  266    HE1  PHE1538           HE1      PHE1538  67.434  -4.178  -7.517
  267    HE2  PHE1538           HE2      PHE1538  66.556  -5.424  -3.480
  268    HZ   PHE1538           HZ       PHE1538  68.164  -4.516  -5.156
  269    H    THR1539           H        THR1539  61.331  -3.434  -8.169
  270    HA   THR1539           HA       THR1539  62.185  -0.776  -7.307
  271    HB   THR1539           HB       THR1539  64.347  -1.825  -7.860
  272    HG1  THR1539           HG1      THR1539  65.037  -0.156  -9.126
  273   HG21  THR1539          HG21      THR1539  64.968  -2.374 -10.148
  274   HG22  THR1539          HG22      THR1539  63.325  -2.026 -10.725
  275   HG23  THR1539          HG23      THR1539  63.621  -3.408  -9.647
  276    H    GLU1540           H        GLU1540  62.126   0.743  -9.330
  277    HA   GLU1540           HA       GLU1540  59.424   0.831 -10.255
  278    HB2  GLU1540           HB2      GLU1540  61.045   2.722  -9.887
  279    HB3  GLU1540           HB3      GLU1540  61.875   2.261 -11.366
  280    HG2  GLU1540           HG2      GLU1540  59.810   2.669 -12.672
  281    HG3  GLU1540           HG3      GLU1540  58.946   3.082 -11.193
  282    H    ASP1541           H        ASP1541  62.411  -0.274 -11.905
  283    HA   ASP1541           HA       ASP1541  61.167  -0.858 -14.438
  284    HB2  ASP1541           HB2      ASP1541  63.588  -2.169 -13.154
  285    HB3  ASP1541           HB3      ASP1541  63.124  -2.276 -14.850
  286    H    ASP1542           H        ASP1542  61.300  -2.697 -11.411
  287    HA   ASP1542           HA       ASP1542  60.380  -5.191 -12.600
  288    HB2  ASP1542           HB2      ASP1542  61.782  -4.855 -10.467
  289    HB3  ASP1542           HB3      ASP1542  60.277  -4.397  -9.676
  290    H    VAL1543           H        VAL1543  58.902  -2.366 -11.031
  291    HA   VAL1543           HA       VAL1543  56.139  -3.308 -11.103
  292    HB   VAL1543           HB       VAL1543  57.394  -0.550 -10.937
  293   HG11  VAL1543          HG11      VAL1543  54.439  -1.252 -10.979
  294   HG12  VAL1543          HG12      VAL1543  55.315  -0.170 -12.069
  295   HG13  VAL1543          HG13      VAL1543  55.098   0.297 -10.384
  296   HG21  VAL1543          HG21      VAL1543  56.419  -0.594  -8.675
  297   HG22  VAL1543          HG22      VAL1543  57.570  -1.914  -8.904
  298   HG23  VAL1543          HG23      VAL1543  55.812  -2.230  -8.952
  299    H    GLU1544           H        GLU1544  58.144  -1.410 -13.408
  300    HA   GLU1544           HA       GLU1544  56.104  -1.175 -15.407
  301    HB2  GLU1544           HB2      GLU1544  58.179   0.144 -15.394
  302    HB3  GLU1544           HB3      GLU1544  59.135  -1.311 -15.712
  303    HG2  GLU1544           HG2      GLU1544  58.076  -1.584 -17.902
  304    HG3  GLU1544           HG3      GLU1544  56.925  -0.300 -17.541
  305    H    GLN1545           H        GLN1545  58.410  -3.815 -14.706
  306    HA   GLN1545           HA       GLN1545  57.703  -5.491 -16.940
  307    HB2  GLN1545           HB2      GLN1545  59.716  -5.888 -15.790
  308    HB3  GLN1545           HB3      GLN1545  58.970  -5.975 -14.223
  309    HG2  GLN1545           HG2      GLN1545  58.390  -8.010 -16.416
  310    HG3  GLN1545           HG3      GLN1545  59.771  -8.143 -15.327
  311   HE21  GLN1545          HE21      GLN1545  58.158  -7.138 -12.874
  312   HE22  GLN1545          HE22      GLN1545  57.164  -8.534 -12.522
  313    H    ALA1546           H        ALA1546  56.388  -5.313 -13.579
  314    HA   ALA1546           HA       ALA1546  54.428  -7.354 -13.972
  315    HB1  ALA1546           HB1      ALA1546  53.462  -6.431 -11.898
  316    HB2  ALA1546           HB2      ALA1546  54.456  -4.964 -12.076
  317    HB3  ALA1546           HB3      ALA1546  55.224  -6.536 -11.791
  318    H    ALA1547           H        ALA1547  54.264  -3.826 -14.550
  319    HA   ALA1547           HA       ALA1547  51.496  -3.703 -15.257
  320    HB1  ALA1547           HB1      ALA1547  52.875  -1.740 -14.678
  321    HB2  ALA1547           HB2      ALA1547  52.168  -1.559 -16.312
  322    HB3  ALA1547           HB3      ALA1547  53.875  -2.007 -16.133
  323    H    ASP1548           H        ASP1548  54.434  -4.180 -17.321
  324    HA   ASP1548           HA       ASP1548  53.005  -4.366 -19.807
  325    HB2  ASP1548           HB2      ASP1548  55.441  -3.881 -19.528
  326    HB3  ASP1548           HB3      ASP1548  55.701  -5.538 -18.993
  327    H    GLU1549           H        GLU1549  53.764  -6.731 -17.312
  328    HA   GLU1549           HA       GLU1549  52.774  -9.058 -18.819
  329    HB2  GLU1549           HB2      GLU1549  53.654  -8.592 -15.957
  330    HB3  GLU1549           HB3      GLU1549  53.015 -10.136 -16.484
  331    HG2  GLU1549           HG2      GLU1549  55.421  -8.760 -17.757
  332    HG3  GLU1549           HG3      GLU1549  55.497  -9.968 -16.494
  333    H    GLY1550           H        GLY1550  51.165  -6.525 -17.484
  334    HA2  GLY1550           HA2      GLY1550  48.880  -6.162 -17.256
  335    HA3  GLY1550           HA3      GLY1550  48.594  -7.829 -17.722
  336    H    PHE1551           H        PHE1551  50.381  -6.601 -14.865
  337    HA   PHE1551           HA       PHE1551  49.604  -8.282 -12.913
  338    HB2  PHE1551           HB2      PHE1551  51.237  -6.526 -12.640
  339    HB3  PHE1551           HB3      PHE1551  50.012  -5.277 -12.769
  340    HD1  PHE1551           HD1      PHE1551  48.522  -4.763 -10.880
  341    HD2  PHE1551           HD2      PHE1551  51.566  -7.802 -10.567
  342    HE1  PHE1551           HE1      PHE1551  48.308  -4.720  -8.407
  343    HE2  PHE1551           HE2      PHE1551  51.357  -7.744  -8.089
  344    HZ   PHE1551           HZ       PHE1551  49.720  -6.212  -7.018
  345    H    ASP1552           H        ASP1552  47.954  -8.789 -11.641
  346    HA   ASP1552           HA       ASP1552  45.422  -7.259 -11.709
  347    HB2  ASP1552           HB2      ASP1552  44.281  -9.429 -11.526
  348    HB3  ASP1552           HB3      ASP1552  45.075  -9.184 -13.059
  349    H    CYS1553           HN       CYS1553  44.234  -7.063  -9.853
  350    HA   CYS1553           HA       CYS1553  45.499  -7.925  -7.333
  351    HB2  CYS1553           HB2      CYS1553  44.322  -6.293  -6.236
  352    HB3  CYS1553           HB3      CYS1553  44.888  -5.572  -7.713
  353    H    VAL1554           H        VAL1554  42.535  -7.637  -6.407
  354    HA   VAL1554           HA       VAL1554  42.056 -10.584  -6.479
  355    HB   VAL1554           HB       VAL1554  41.158  -8.940  -4.142
  356   HG11  VAL1554          HG11      VAL1554  42.091 -11.809  -4.599
  357   HG12  VAL1554          HG12      VAL1554  40.402 -11.278  -4.429
  358   HG13  VAL1554          HG13      VAL1554  41.507 -11.154  -3.046
  359   HG21  VAL1554          HG21      VAL1554  43.962 -10.089  -4.524
  360   HG22  VAL1554          HG22      VAL1554  43.271  -9.579  -2.966
  361   HG23  VAL1554          HG23      VAL1554  43.548  -8.385  -4.232
  362    H    SER1555           H        SER1555  40.385  -7.434  -6.646
  363    HA   SER1555           HA       SER1555  37.710  -8.521  -6.561
  364    HB2  SER1555           HB2      SER1555  38.701  -5.849  -7.615
  365    HB3  SER1555           HB3      SER1555  37.024  -6.266  -7.215
  366    HG   SER1555           HG       SER1555  38.068  -5.164  -5.469
  367    H    CYS1556           HN       CYS1556  40.008  -8.122  -9.182
  368    HA   CYS1556           HA       CYS1556  38.208  -8.076 -11.378
  369    HB2  CYS1556           HB2      CYS1556  40.477  -9.053 -12.438
  370    HB3  CYS1556           HB3      CYS1556  40.260  -7.362 -12.001
  371    H    GLN1557           H        GLN1557  39.796 -10.646  -9.571
  372    HA   GLN1557           HA       GLN1557  39.335 -12.816 -11.207
  373    HB2  GLN1557           HB2      GLN1557  39.252 -13.118  -8.206
  374    HB3  GLN1557           HB3      GLN1557  39.865 -14.213  -9.417
  375    HG2  GLN1557           HG2      GLN1557  41.108 -11.560  -8.602
  376    HG3  GLN1557           HG3      GLN1557  41.635 -13.152  -8.089
  377   HE21  GLN1557          HE21      GLN1557  43.288 -11.190  -9.328
  378   HE22  GLN1557          HE22      GLN1557  43.836 -11.891 -10.841
  379    HA   PRO1558           HA       PRO1558  34.972 -13.703  -9.493
  380    HB2  PRO1558           HB2      PRO1558  33.630 -12.040  -7.823
  381    HB3  PRO1558           HB3      PRO1558  34.764 -13.310  -7.262
  382    HG2  PRO1558           HG2      PRO1558  35.330 -10.354  -7.655
  383    HG3  PRO1558           HG3      PRO1558  35.712 -11.414  -6.256
  384    HD2  PRO1558           HD2      PRO1558  37.562 -10.873  -8.169
  385    HD3  PRO1558           HD3      PRO1558  37.458 -12.455  -7.350
  386    H    TYR1559           H        TYR1559  35.624 -10.203 -10.122
  387    HA   TYR1559           HA       TYR1559  32.963  -9.979 -11.391
  388    HB2  TYR1559           HB2      TYR1559  34.950  -7.782 -10.838
  389    HB3  TYR1559           HB3      TYR1559  33.260  -7.618 -11.288
  390    HD1  TYR1559           HD1      TYR1559  32.008  -9.700  -9.426
  391    HD2  TYR1559           HD2      TYR1559  34.989  -6.641  -8.787
  392    HE1  TYR1559           HE1      TYR1559  31.392  -9.599  -7.035
  393    HE2  TYR1559           HE2      TYR1559  34.368  -6.542  -6.387
  394    HH   TYR1559           HH       TYR1559  31.784  -8.612  -4.989
  395    H    VAL1560           H        VAL1560  36.066  -8.562 -12.498
  396    HA   VAL1560           HA       VAL1560  34.945  -8.295 -15.139
  397    HB   VAL1560           HB       VAL1560  36.551  -6.743 -13.937
  398   HG11  VAL1560          HG11      VAL1560  38.736  -8.369 -15.263
  399   HG12  VAL1560          HG12      VAL1560  38.276  -8.637 -13.585
  400   HG13  VAL1560          HG13      VAL1560  38.868  -7.045 -14.086
  401   HG21  VAL1560          HG21      VAL1560  37.519  -5.882 -16.004
  402   HG22  VAL1560          HG22      VAL1560  35.840  -6.383 -16.269
  403   HG23  VAL1560          HG23      VAL1560  37.174  -7.410 -16.840
  404    H    VAL1561           H        VAL1561  37.147 -10.736 -13.856
  405    HA   VAL1561           HA       VAL1561  37.025 -12.106 -16.523
  406    HB   VAL1561           HB       VAL1561  38.950 -13.409 -15.945
  407   HG11  VAL1561          HG11      VAL1561  39.580 -10.455 -15.664
  408   HG12  VAL1561          HG12      VAL1561  39.214 -11.289 -17.191
  409   HG13  VAL1561          HG13      VAL1561  40.652 -11.732 -16.254
  410   HG21  VAL1561          HG21      VAL1561  39.338 -11.639 -13.500
  411   HG22  VAL1561          HG22      VAL1561  40.402 -12.937 -14.065
  412   HG23  VAL1561          HG23      VAL1561  38.794 -13.337 -13.445
  413    H    LYS1562           H        LYS1562  35.099 -11.960 -14.226
  414    HA   LYS1562           HA       LYS1562  33.713 -13.226 -12.991
  415    HB2  LYS1562           HB2      LYS1562  33.044 -13.483 -15.387
  416    HB3  LYS1562           HB3      LYS1562  33.882 -15.039 -15.434
  417    HG2  LYS1562           HG2      LYS1562  32.357 -15.930 -13.701
  418    HG3  LYS1562           HG3      LYS1562  31.572 -14.343 -13.556
  419    HD2  LYS1562           HD2      LYS1562  30.826 -14.493 -15.913
  420    HD3  LYS1562           HD3      LYS1562  31.625 -16.076 -16.071
  421    HE2  LYS1562           HE2      LYS1562  30.187 -16.979 -14.255
  422    HE3  LYS1562           HE3      LYS1562  29.391 -15.408 -14.098
  423    HZ1  LYS1562           HZ1      LYS1562  29.330 -17.130 -16.533
  424    HZ2  LYS1562           HZ2      LYS1562  28.604 -15.668 -16.408
  425    HZ3  LYS1562           HZ3      LYS1562  28.093 -16.915 -15.494
  426    HA   LYS  12           HA       LYS  12  53.592   6.320 -15.927
  427    H    GLY  13           H        GLY  13  50.133   6.085 -16.803
  428    HA2  GLY  13           HA2      GLY  13  48.762   4.306 -17.335
  429    HA3  GLY  13           HA3      GLY  13  50.208   3.460 -17.885
  430    H    GLY  14           H        GLY  14  50.973   1.773 -16.691
  431    HA2  GLY  14           HA2      GLY  14  49.377   0.685 -14.529
  432    HA3  GLY  14           HA3      GLY  14  50.858   0.009 -15.201
  433    H    ALA  15           H        ALA  15  51.921   2.972 -14.444
  434    HA   ALA  15           HA       ALA  15  52.544   2.401 -11.591
  435    HB1  ALA  15           HB1      ALA  15  54.907   2.673 -12.046
  436    HB2  ALA  15           HB2      ALA  15  54.585   3.075 -13.747
  437    HB3  ALA  15           HB3      ALA  15  54.263   1.436 -13.150
  438   HH31  ALY  16           H26      ALY  16  47.797  10.366  -5.828
  439   HH32  ALY  16           H27      ALY  16  47.665   8.866  -6.773
  440   HH33  ALY  16           H28      ALY  16  47.760  10.443  -7.596
  441    HZ   ALY  16           HZ1      ALY  16  51.195   9.129  -7.798
  442    HE3  ALY  16           HE3      ALY  16  48.473   8.835  -9.033
  443    HE2  ALY  16           HE2      ALY  16  49.977   9.010  -9.919
  444    HD3  ALY  16           HD3      ALY  16  49.273   6.665  -8.082
  445    HD2  ALY  16           HD2      ALY  16  49.085   6.671  -9.832
  446    HG3  ALY  16           HG3      ALY  16  51.723   6.905  -8.332
  447    HG2  ALY  16           HG2      ALY  16  51.100   5.469  -9.138
  448    HB3  ALY  16           HB3      ALY  16  51.099   6.733 -11.314
  449    HB2  ALY  16           HB2      ALY  16  51.906   8.068 -10.492
  450    HA   ALY  16           HA       ALY  16  53.541   6.817 -11.680
  451    H    ALY  16           H        ALY  16  53.236   4.237 -10.332
  452    H    ARG  17           H        ARG  17  54.581   8.422 -10.545
  453    HA   ARG  17           HA       ARG  17  55.555   8.043  -7.769
  454    HB2  ARG  17           HB2      ARG  17  57.082   6.746  -9.307
  455    HB3  ARG  17           HB3      ARG  17  57.486   8.248 -10.137
  456    HG2  ARG  17           HG2      ARG  17  58.436   9.156  -8.007
  457    HG3  ARG  17           HG3      ARG  17  57.962   7.669  -7.168
  458    HD2  ARG  17           HD2      ARG  17  59.396   6.365  -8.750
  459    HD3  ARG  17           HD3      ARG  17  59.903   7.883  -9.514
  460    HE   ARG  17           HE       ARG  17  60.499   8.244  -6.818
  461   HH11  ARG  17          HH11      ARG  17  61.532   5.866  -9.225
  462   HH12  ARG  17          HH12      ARG  17  63.042   5.610  -8.384
  463   HH21  ARG  17          HH21      ARG  17  62.332   7.918  -5.897
  464   HH22  ARG  17          HH22      ARG  17  63.519   6.761  -6.499
  465    H    HIS  18           H        HIS  18  53.904   9.809  -7.912
  466    HA   HIS  18           HA       HIS  18  54.367  12.206  -9.438
  467    HB2  HIS  18           HB2      HIS  18  52.159  11.362  -8.777
  468    HB3  HIS  18           HB3      HIS  18  52.518  11.680  -7.082
  469    HD2  HIS  18           HD2      HIS  18  51.793  14.018  -6.205
  470    HE1  HIS  18           HE1      HIS  18  51.226  16.042  -9.916
  471    HE2  HIS  18           HE2      HIS  18  50.992  16.234  -7.388
  472    H    ARG  19           H        ARG  19  55.459  11.322  -6.218
  473    HA   ARG  19           HA       ARG  19  56.853  12.404  -4.714
  Start of MODEL    5
    1    H    SER1503           H        SER1503  40.061   3.402  -2.155
    2    HA   SER1503           HA       SER1503  41.208   2.408  -3.934
    3    HB2  SER1503           HB2      SER1503  39.958   4.889  -5.191
    4    HB3  SER1503           HB3      SER1503  40.518   3.472  -6.093
    5    HG   SER1503           HG       SER1503  38.464   3.564  -4.106
    6    H    LEU1504           H        LEU1504  42.343   5.403  -2.970
    7    HA   LEU1504           HA       LEU1504  44.976   5.036  -4.287
    8    HB2  LEU1504           HB2      LEU1504  43.065   7.247  -4.865
    9    HB3  LEU1504           HB3      LEU1504  44.686   7.802  -4.467
   10    HG   LEU1504           HG       LEU1504  44.357   5.607  -6.505
   11   HD11  LEU1504          HD11      LEU1504  44.235   7.321  -8.279
   12   HD12  LEU1504          HD12      LEU1504  44.050   8.586  -7.031
   13   HD13  LEU1504          HD13      LEU1504  42.803   7.341  -7.241
   14   HD21  LEU1504          HD21      LEU1504  46.431   6.597  -7.386
   15   HD22  LEU1504          HD22      LEU1504  46.633   6.275  -5.653
   16   HD23  LEU1504          HD23      LEU1504  46.330   7.927  -6.217
   17    H    VAL1505           H        VAL1505  43.298   7.416  -2.122
   18    HA   VAL1505           HA       VAL1505  45.776   7.944  -0.763
   19    HB   VAL1505           HB       VAL1505  43.990   9.562  -1.443
   20   HG11  VAL1505          HG11      VAL1505  42.037   8.395  -0.437
   21   HG12  VAL1505          HG12      VAL1505  42.190  10.089   0.071
   22   HG13  VAL1505          HG13      VAL1505  42.663   8.793   1.180
   23   HG21  VAL1505          HG21      VAL1505  44.452  11.156   0.272
   24   HG22  VAL1505          HG22      VAL1505  45.913  10.206  -0.039
   25   HG23  VAL1505          HG23      VAL1505  44.939   9.894   1.416
   26    H    THR1506           H        THR1506  44.574   5.171  -0.314
   27    HA   THR1506           HA       THR1506  45.339   4.982   2.449
   28    HB   THR1506           HB       THR1506  42.546   4.063   1.636
   29    HG1  THR1506           HG1      THR1506  42.747   6.171   2.558
   30   HG21  THR1506          HG21      THR1506  42.658   3.215   4.177
   31   HG22  THR1506          HG22      THR1506  44.360   2.955   3.757
   32   HG23  THR1506          HG23      THR1506  43.084   2.195   2.807
   33    H    CYS1507           HN       CYS1507  46.715   3.413   2.414
   34    HA   CYS1507           HA       CYS1507  46.362   1.074   0.605
   35    HB2  CYS1507           HB2      CYS1507  48.475   2.347   0.395
   36    HB3  CYS1507           HB3      CYS1507  48.833   2.015   2.111
   37    HA   PRO1508           HA       PRO1508  44.933  -0.675   4.640
   38    HB2  PRO1508           HB2      PRO1508  44.240  -2.757   2.541
   39    HB3  PRO1508           HB3      PRO1508  43.352  -2.357   4.045
   40    HG2  PRO1508           HG2      PRO1508  42.505  -1.295   1.717
   41    HG3  PRO1508           HG3      PRO1508  42.746  -0.173   3.092
   42    HD2  PRO1508           HD2      PRO1508  44.681  -0.840   0.831
   43    HD3  PRO1508           HD3      PRO1508  44.115   0.763   1.380
   44    H    ILE1509           H        ILE1509  47.238  -1.772   2.255
   45    HA   ILE1509           HA       ILE1509  48.140  -4.106   3.785
   46    HB   ILE1509           HB       ILE1509  49.830  -2.737   1.691
   47   HG12  ILE1509          HG12      ILE1509  47.820  -4.895   0.980
   48   HG13  ILE1509          HG13      ILE1509  47.424  -3.191   0.753
   49   HG21  ILE1509          HG21      ILE1509  50.817  -4.566   3.031
   50   HG22  ILE1509          HG22      ILE1509  50.569  -5.143   1.384
   51   HG23  ILE1509          HG23      ILE1509  49.435  -5.616   2.657
   52   HD11  ILE1509          HD11      ILE1509  48.197  -4.105  -1.334
   53   HD12  ILE1509          HD12      ILE1509  49.721  -4.636  -0.612
   54   HD13  ILE1509          HD13      ILE1509  49.346  -2.901  -0.747
   55    H    CYS1510           HN       CYS1510  49.102  -0.707   3.463
   56    HA   CYS1510           HA       CYS1510  51.243  -0.949   5.477
   57    HB2  CYS1510           HB2      CYS1510  50.284   1.284   3.636
   58    HB3  CYS1510           HB3      CYS1510  51.574   1.464   4.822
   59    H    HIS1511           H        HIS1511  47.941  -0.422   5.567
   60    HA   HIS1511           HA       HIS1511  46.398   0.453   6.934
   61    HB2  HIS1511           HB2      HIS1511  48.457   0.806   9.079
   62    HB3  HIS1511           HB3      HIS1511  46.718   0.680   9.275
   63    HD2  HIS1511           HD2      HIS1511  45.579  -1.756   9.047
   64    HE1  HIS1511           HE1      HIS1511  49.182  -4.041   9.018
   65    HE2  HIS1511           HE2      HIS1511  46.641  -4.161   9.212
   66    H    ALA1512           H        ALA1512  47.333   2.053   5.085
   67    HA   ALA1512           HA       ALA1512  46.974   4.052   4.260
   68    HB1  ALA1512           HB1      ALA1512  44.926   3.601   5.720
   69    HB2  ALA1512           HB2      ALA1512  45.160   5.236   5.070
   70    HB3  ALA1512           HB3      ALA1512  45.539   4.879   6.772
   71    HA   PRO1513           HA       PRO1513  49.900   6.883   6.828
   72    HB2  PRO1513           HB2      PRO1513  52.453   6.159   6.168
   73    HB3  PRO1513           HB3      PRO1513  51.578   5.491   7.578
   74    HG2  PRO1513           HG2      PRO1513  51.879   4.253   4.822
   75    HG3  PRO1513           HG3      PRO1513  52.146   3.483   6.414
   76    HD2  PRO1513           HD2      PRO1513  49.792   3.184   5.089
   77    HD3  PRO1513           HD3      PRO1513  49.841   3.385   6.871
   78    H    TYR1514           H        TYR1514  50.220   5.463   3.602
   79    HA   TYR1514           HA       TYR1514  50.596   6.291   1.542
   80    HB2  TYR1514           HB2      TYR1514  48.233   6.838   2.213
   81    HB3  TYR1514           HB3      TYR1514  48.745   8.502   2.457
   82    HD1  TYR1514           HD1      TYR1514  48.769   5.725  -0.093
   83    HD2  TYR1514           HD2      TYR1514  48.699   9.990   0.577
   84    HE1  TYR1514           HE1      TYR1514  48.551   6.105  -2.535
   85    HE2  TYR1514           HE2      TYR1514  48.443  10.368  -1.867
   86    HH   TYR1514           HH       TYR1514  48.351   9.396  -3.960
   87    H    VAL1515           H        VAL1515  52.903   6.729   2.433
   88    HA   VAL1515           HA       VAL1515  53.822   9.503   2.164
   89    HB   VAL1515           HB       VAL1515  55.315   6.853   2.115
   90   HG11  VAL1515          HG11      VAL1515  56.407   9.705   2.105
   91   HG12  VAL1515          HG12      VAL1515  56.628   8.472   0.837
   92   HG13  VAL1515          HG13      VAL1515  57.366   8.242   2.420
   93   HG21  VAL1515          HG21      VAL1515  54.351   7.434   4.322
   94   HG22  VAL1515          HG22      VAL1515  55.112   9.033   4.240
   95   HG23  VAL1515          HG23      VAL1515  56.111   7.567   4.342
   96    H    GLU1516           H        GLU1516  53.679  10.554   0.282
   97    HA   GLU1516           HA       GLU1516  53.003   9.315  -2.156
   98    HB2  GLU1516           HB2      GLU1516  53.059  11.492  -3.105
   99    HB3  GLU1516           HB3      GLU1516  52.397  11.621  -1.489
  100    HG2  GLU1516           HG2      GLU1516  55.211  12.395  -2.389
  101    HG3  GLU1516           HG3      GLU1516  53.887  13.492  -2.060
  102    H    GLU1517           H        GLU1517  56.221   9.953  -0.918
  103    HA   GLU1517           HA       GLU1517  57.643   9.839  -3.416
  104    HB2  GLU1517           HB2      GLU1517  58.545  10.814  -1.363
  105    HB3  GLU1517           HB3      GLU1517  58.541   9.230  -0.575
  106    HG2  GLU1517           HG2      GLU1517  60.294   8.417  -1.980
  107    HG3  GLU1517           HG3      GLU1517  60.085   9.733  -3.137
  108    H    ASP1518           H        ASP1518  56.144   7.288  -1.532
  109    HA   ASP1518           HA       ASP1518  57.826   5.127  -2.519
  110    HB2  ASP1518           HB2      ASP1518  55.084   5.077  -1.237
  111    HB3  ASP1518           HB3      ASP1518  56.017   3.650  -1.682
  112    H    LEU1519           H        LEU1519  57.622   3.865  -4.251
  113    HA   LEU1519           HA       LEU1519  56.228   4.810  -6.565
  114    HB2  LEU1519           HB2      LEU1519  58.434   3.432  -6.257
  115    HB3  LEU1519           HB3      LEU1519  57.377   2.035  -6.141
  116    HG   LEU1519           HG       LEU1519  57.959   3.838  -8.510
  117   HD11  LEU1519          HD11      LEU1519  58.064   0.822  -8.030
  118   HD12  LEU1519          HD12      LEU1519  59.453   1.931  -8.030
  119   HD13  LEU1519          HD13      LEU1519  58.540   1.664  -9.526
  120   HD21  LEU1519          HD21      LEU1519  55.695   1.803  -8.373
  121   HD22  LEU1519          HD22      LEU1519  56.386   2.470  -9.871
  122   HD23  LEU1519          HD23      LEU1519  55.585   3.545  -8.749
  123    H    LEU1520           H        LEU1520  54.134   4.462  -7.196
  124    HA   LEU1520           HA       LEU1520  52.628   2.191  -6.007
  125    HB2  LEU1520           HB2      LEU1520  51.514   4.659  -7.341
  126    HB3  LEU1520           HB3      LEU1520  50.610   3.337  -6.621
  127    HG   LEU1520           HG       LEU1520  52.278   4.105  -4.518
  128   HD11  LEU1520          HD11      LEU1520  52.911   6.169  -5.808
  129   HD12  LEU1520          HD12      LEU1520  52.030   6.528  -4.318
  130   HD13  LEU1520          HD13      LEU1520  51.192   6.619  -5.884
  131   HD21  LEU1520          HD21      LEU1520  49.459   5.080  -5.109
  132   HD22  LEU1520          HD22      LEU1520  50.260   5.009  -3.521
  133   HD23  LEU1520          HD23      LEU1520  49.887   3.510  -4.379
  134    H    ILE1521           H        ILE1521  51.407   0.854  -7.170
  135    HA   ILE1521           HA       ILE1521  51.696   0.668 -10.108
  136    HB   ILE1521           HB       ILE1521  53.418  -0.729  -9.246
  137   HG12  ILE1521          HG12      ILE1521  52.452  -3.132  -9.725
  138   HG13  ILE1521          HG13      ILE1521  51.007  -2.279 -10.215
  139   HG21  ILE1521          HG21      ILE1521  53.045  -2.566  -7.613
  140   HG22  ILE1521          HG22      ILE1521  51.405  -1.948  -7.320
  141   HG23  ILE1521          HG23      ILE1521  52.844  -0.964  -6.932
  142   HD11  ILE1521          HD11      ILE1521  52.332  -2.658 -12.176
  143   HD12  ILE1521          HD12      ILE1521  53.799  -2.084 -11.376
  144   HD13  ILE1521          HD13      ILE1521  52.520  -0.931 -11.805
  145    H    GLN1522           H        GLN1522  49.913  -0.055 -11.154
  146    HA   GLN1522           HA       GLN1522  47.408  -0.035  -9.572
  147    HB2  GLN1522           HB2      GLN1522  48.029   1.714 -11.323
  148    HB3  GLN1522           HB3      GLN1522  47.815   0.447 -12.530
  149    HG2  GLN1522           HG2      GLN1522  45.448   0.161 -11.724
  150    HG3  GLN1522           HG3      GLN1522  45.716   1.494 -10.592
  151   HE21  GLN1522          HE21      GLN1522  43.946   2.646 -11.644
  152   HE22  GLN1522          HE22      GLN1522  44.206   3.381 -13.229
  153    H    CYS1523           HN       CYS1523  45.849  -1.624  -9.675
  154    HA   CYS1523           HA       CYS1523  46.425  -4.152 -11.003
  155    HB2  CYS1523           HB2      CYS1523  45.309  -4.184  -8.912
  156    HB3  CYS1523           HB3      CYS1523  44.000  -3.123  -9.493
  157    H    ARG1524           H        ARG1524  45.839  -4.844 -12.965
  158    HA   ARG1524           HA       ARG1524  44.733  -3.054 -14.946
  159    HB2  ARG1524           HB2      ARG1524  44.918  -4.895 -16.483
  160    HB3  ARG1524           HB3      ARG1524  46.336  -4.885 -15.435
  161    HG2  ARG1524           HG2      ARG1524  45.278  -6.727 -14.072
  162    HG3  ARG1524           HG3      ARG1524  43.929  -6.771 -15.200
  163    HD2  ARG1524           HD2      ARG1524  45.146  -7.720 -16.897
  164    HD3  ARG1524           HD3      ARG1524  46.663  -6.964 -16.394
  165    HE   ARG1524           HE       ARG1524  46.067  -8.755 -14.335
  166   HH11  ARG1524          HH11      ARG1524  46.606  -9.201 -17.801
  167   HH12  ARG1524          HH12      ARG1524  47.429 -10.705 -17.543
  168   HH21  ARG1524          HH21      ARG1524  47.705 -11.499 -15.468
  169   HH22  ARG1524          HH22      ARG1524  47.222 -10.512 -14.095
  170    H    HIS1525           H        HIS1525  43.162  -5.268 -12.773
  171    HA   HIS1525           HA       HIS1525  40.659  -5.343 -14.378
  172    HB2  HIS1525           HB2      HIS1525  41.546  -7.421 -13.410
  173    HB3  HIS1525           HB3      HIS1525  41.442  -6.738 -11.792
  174    HD2  HIS1525           HD2      HIS1525  39.178  -7.084 -10.541
  175    HE1  HIS1525           HE1      HIS1525  36.709  -8.258 -13.816
  176    HE2  HIS1525           HE2      HIS1525  36.807  -7.955 -11.286
  177    H    CYS1526           HN       CYS1526  41.740  -4.261 -11.138
  178    HA   CYS1526           HA       CYS1526  39.170  -3.055 -10.549
  179    HB2  CYS1526           HB2      CYS1526  41.809  -3.294  -9.041
  180    HB3  CYS1526           HB3      CYS1526  40.299  -2.661  -8.362
  181    H    GLU1527           H        GLU1527  42.222  -1.858 -11.764
  182    HA   GLU1527           HA       GLU1527  43.162   0.141 -12.097
  183    HB2  GLU1527           HB2      GLU1527  40.336   1.211 -12.006
  184    HB3  GLU1527           HB3      GLU1527  41.742   2.213 -12.334
  185    HG2  GLU1527           HG2      GLU1527  42.351   0.890 -14.267
  186    HG3  GLU1527           HG3      GLU1527  41.091  -0.283 -13.915
  187    H    ARG1528           H        ARG1528  42.466  -0.871  -9.244
  188    HA   ARG1528           HA       ARG1528  42.847   1.556  -7.608
  189    HB2  ARG1528           HB2      ARG1528  42.354  -1.385  -7.043
  190    HB3  ARG1528           HB3      ARG1528  43.126  -0.403  -5.803
  191    HG2  ARG1528           HG2      ARG1528  40.736  -0.424  -5.405
  192    HG3  ARG1528           HG3      ARG1528  41.293   1.195  -5.819
  193    HD2  ARG1528           HD2      ARG1528  40.502   0.754  -8.195
  194    HD3  ARG1528           HD3      ARG1528  39.733  -0.724  -7.579
  195    HE   ARG1528           HE       ARG1528  38.929   1.521  -5.993
  196   HH11  ARG1528          HH11      ARG1528  38.417   0.355  -9.273
  197   HH12  ARG1528          HH12      ARG1528  36.902   1.217  -9.417
  198   HH21  ARG1528          HH21      ARG1528  37.124   2.649  -6.279
  199   HH22  ARG1528          HH22      ARG1528  36.161   2.484  -7.727
  200    H    TRP1529           H        TRP1529  44.570   2.013  -6.318
  201    HA   TRP1529           HA       TRP1529  47.178   1.083  -7.378
  202    HB2  TRP1529           HB2      TRP1529  46.311   3.634  -5.986
  203    HB3  TRP1529           HB3      TRP1529  47.957   3.250  -6.500
  204    HD1  TRP1529           HD1      TRP1529  44.474   3.924  -8.017
  205    HE1  TRP1529           HE1      TRP1529  44.751   4.679 -10.450
  206    HE3  TRP1529           HE3      TRP1529  49.479   3.046  -8.555
  207    HZ2  TRP1529           HZ2      TRP1529  46.907   5.067 -12.299
  208    HZ3  TRP1529           HZ3      TRP1529  50.627   3.580 -10.684
  209    HH2  TRP1529           HH2      TRP1529  49.375   4.648 -12.548
  210    H    MET1530           H        MET1530  48.665   0.160  -6.223
  211    HA   MET1530           HA       MET1530  48.696   0.222  -3.235
  212    HB2  MET1530           HB2      MET1530  49.266  -2.084  -5.167
  213    HB3  MET1530           HB3      MET1530  49.650  -2.093  -3.456
  214    HG2  MET1530           HG2      MET1530  47.672  -3.327  -3.727
  215    HG3  MET1530           HG3      MET1530  47.294  -1.843  -2.876
  216    HE1  MET1530           HE1      MET1530  47.132  -3.671  -6.308
  217    HE2  MET1530           HE2      MET1530  47.604  -2.039  -6.838
  218    HE3  MET1530           HE3      MET1530  45.990  -2.660  -7.237
  219    H    HIS1531           H        HIS1531  50.918   0.242  -2.330
  220    HA   HIS1531           HA       HIS1531  52.933   1.311  -4.118
  221    HB2  HIS1531           HB2      HIS1531  53.603   0.175  -1.418
  222    HB3  HIS1531           HB3      HIS1531  54.427   1.406  -2.328
  223    HD2  HIS1531           HD2      HIS1531  53.237   3.913  -2.391
  224    HE1  HIS1531           HE1      HIS1531  50.741   3.196   0.983
  225    HE2  HIS1531           HE2      HIS1531  51.692   4.992  -0.577
  226    H    ALA1532           H        ALA1532  54.876   0.335  -4.842
  227    HA   ALA1532           HA       ALA1532  54.733  -2.417  -5.624
  228    HB1  ALA1532           HB1      ALA1532  57.066  -2.045  -6.372
  229    HB2  ALA1532           HB2      ALA1532  57.126  -0.525  -5.460
  230    HB3  ALA1532           HB3      ALA1532  56.011  -0.697  -6.838
  231    H    GLY1533           H        GLY1533  56.406  -0.870  -2.849
  232    HA2  GLY1533           HA2      GLY1533  57.952  -3.090  -2.040
  233    HA3  GLY1533           HA3      GLY1533  57.484  -1.731  -1.017
  234    H    CYS1534           HN       CYS1534  54.679  -2.100  -0.824
  235    HA   CYS1534           HA       CYS1534  54.525  -4.247   1.072
  236    HB2  CYS1534           HB2      CYS1534  52.148  -3.566   1.249
  237    HB3  CYS1534           HB3      CYS1534  53.312  -2.320   1.578
  238    H    GLU1535           H        GLU1535  53.495  -3.981  -2.293
  239    HA   GLU1535           HA       GLU1535  52.422  -6.696  -2.398
  240    HB2  GLU1535           HB2      GLU1535  53.090  -4.610  -4.498
  241    HB3  GLU1535           HB3      GLU1535  52.429  -6.185  -4.915
  242    HG2  GLU1535           HG2      GLU1535  50.975  -4.498  -2.852
  243    HG3  GLU1535           HG3      GLU1535  50.875  -4.089  -4.542
  244    H    SER1536           H        SER1536  55.521  -5.860  -1.862
  245    HA   SER1536           HA       SER1536  57.549  -6.760  -2.131
  246    HB2  SER1536           HB2      SER1536  56.080  -9.345  -2.724
  247    HB3  SER1536           HB3      SER1536  57.777  -9.186  -2.247
  248    HG   SER1536           HG       SER1536  55.477  -8.514  -0.694
  249    H    LEU1537           H        LEU1537  56.331  -5.594  -4.547
  250    HA   LEU1537           HA       LEU1537  57.446  -7.020  -6.853
  251    HB2  LEU1537           HB2      LEU1537  55.242  -5.760  -6.759
  252    HB3  LEU1537           HB3      LEU1537  56.167  -4.279  -6.573
  253    HG   LEU1537           HG       LEU1537  57.226  -4.736  -8.830
  254   HD11  LEU1537          HD11      LEU1537  54.969  -6.787  -9.072
  255   HD12  LEU1537          HD12      LEU1537  56.673  -7.216  -8.913
  256   HD13  LEU1537          HD13      LEU1537  56.136  -6.311 -10.329
  257   HD21  LEU1537          HD21      LEU1537  54.179  -4.563  -8.690
  258   HD22  LEU1537          HD22      LEU1537  55.184  -4.038 -10.051
  259   HD23  LEU1537          HD23      LEU1537  55.297  -3.206  -8.482
  260    H    PHE1538           H        PHE1538  59.534  -6.764  -7.546
  261    HA   PHE1538           HA       PHE1538  61.292  -5.176  -5.896
  262    HB2  PHE1538           HB2      PHE1538  61.801  -7.457  -6.611
  263    HB3  PHE1538           HB3      PHE1538  61.939  -6.926  -8.282
  264    HD1  PHE1538           HD1      PHE1538  63.946  -6.052  -9.143
  265    HD2  PHE1538           HD2      PHE1538  63.431  -6.421  -4.874
  266    HE1  PHE1538           HE1      PHE1538  66.318  -5.492  -8.812
  267    HE2  PHE1538           HE2      PHE1538  65.823  -5.845  -4.544
  268    HZ   PHE1538           HZ       PHE1538  67.277  -5.371  -6.512
  269    H    THR1539           H        THR1539  60.833  -3.025  -6.238
  270    HA   THR1539           HA       THR1539  61.356  -0.936  -6.960
  271    HB   THR1539           HB       THR1539  63.431  -0.488  -7.920
  272    HG1  THR1539           HG1      THR1539  63.284  -3.075  -9.015
  273   HG21  THR1539          HG21      THR1539  63.898  -3.193  -6.604
  274   HG22  THR1539          HG22      THR1539  63.638  -1.665  -5.728
  275   HG23  THR1539          HG23      THR1539  65.048  -1.856  -6.784
  276    H    GLU1540           H        GLU1540  62.085   0.353  -9.241
  277    HA   GLU1540           HA       GLU1540  59.676   0.291 -10.771
  278    HB2  GLU1540           HB2      GLU1540  61.097   2.268 -10.316
  279    HB3  GLU1540           HB3      GLU1540  62.278   1.669 -11.485
  280    HG2  GLU1540           HG2      GLU1540  60.854   2.070 -13.311
  281    HG3  GLU1540           HG3      GLU1540  59.387   1.932 -12.339
  282    H    ASP1541           H        ASP1541  62.630  -1.525 -11.136
  283    HA   ASP1541           HA       ASP1541  62.450  -2.215 -13.912
  284    HB2  ASP1541           HB2      ASP1541  64.420  -2.558 -12.414
  285    HB3  ASP1541           HB3      ASP1541  63.532  -3.796 -11.548
  286    H    ASP1542           H        ASP1542  61.350  -4.057 -11.005
  287    HA   ASP1542           HA       ASP1542  59.878  -5.985 -12.555
  288    HB2  ASP1542           HB2      ASP1542  60.880  -6.137 -10.193
  289    HB3  ASP1542           HB3      ASP1542  59.392  -5.344  -9.652
  290    H    VAL1543           H        VAL1543  59.018  -2.795 -11.258
  291    HA   VAL1543           HA       VAL1543  56.150  -3.010 -11.723
  292    HB   VAL1543           HB       VAL1543  58.082  -0.726 -11.498
  293   HG11  VAL1543          HG11      VAL1543  56.522   0.159 -13.123
  294   HG12  VAL1543          HG12      VAL1543  56.177   0.867 -11.550
  295   HG13  VAL1543          HG13      VAL1543  55.142  -0.434 -12.176
  296   HG21  VAL1543          HG21      VAL1543  55.608  -1.492  -9.906
  297   HG22  VAL1543          HG22      VAL1543  56.726  -0.191  -9.515
  298   HG23  VAL1543          HG23      VAL1543  57.283  -1.867  -9.427
  299    H    GLU1544           H        GLU1544  58.868  -1.854 -13.839
  300    HA   GLU1544           HA       GLU1544  57.159  -1.365 -16.095
  301    HB2  GLU1544           HB2      GLU1544  59.431  -0.439 -15.855
  302    HB3  GLU1544           HB3      GLU1544  60.126  -2.060 -16.008
  303    HG2  GLU1544           HG2      GLU1544  59.327  -2.250 -18.297
  304    HG3  GLU1544           HG3      GLU1544  58.348  -0.786 -18.123
  305    H    GLN1545           H        GLN1545  58.903  -4.317 -15.034
  306    HA   GLN1545           HA       GLN1545  58.116  -6.027 -17.174
  307    HB2  GLN1545           HB2      GLN1545  59.755  -6.555 -15.278
  308    HB3  GLN1545           HB3      GLN1545  58.378  -6.738 -14.218
  309    HG2  GLN1545           HG2      GLN1545  59.033  -8.916 -14.899
  310    HG3  GLN1545           HG3      GLN1545  57.480  -8.575 -15.656
  311   HE21  GLN1545          HE21      GLN1545  60.507  -7.182 -16.905
  312   HE22  GLN1545          HE22      GLN1545  60.563  -8.180 -18.359
  313    H    ALA1546           H        ALA1546  56.455  -5.391 -14.032
  314    HA   ALA1546           HA       ALA1546  54.212  -7.046 -14.636
  315    HB1  ALA1546           HB1      ALA1546  53.337  -6.075 -12.564
  316    HB2  ALA1546           HB2      ALA1546  54.587  -4.809 -12.605
  317    HB3  ALA1546           HB3      ALA1546  55.047  -6.516 -12.398
  318    H    ALA1547           H        ALA1547  54.810  -3.621 -15.379
  319    HA   ALA1547           HA       ALA1547  52.123  -2.917 -16.087
  320    HB1  ALA1547           HB1      ALA1547  53.973  -1.303 -15.708
  321    HB2  ALA1547           HB2      ALA1547  53.243  -1.097 -17.320
  322    HB3  ALA1547           HB3      ALA1547  54.798  -1.940 -17.155
  323    H    ASP1548           H        ASP1548  54.845  -4.243 -18.053
  324    HA   ASP1548           HA       ASP1548  53.335  -4.407 -20.507
  325    HB2  ASP1548           HB2      ASP1548  55.840  -4.291 -20.264
  326    HB3  ASP1548           HB3      ASP1548  55.822  -5.940 -19.637
  327    H    GLU1549           H        GLU1549  53.959  -6.680 -17.849
  328    HA   GLU1549           HA       GLU1549  52.599  -8.942 -19.152
  329    HB2  GLU1549           HB2      GLU1549  53.723  -8.506 -16.365
  330    HB3  GLU1549           HB3      GLU1549  52.913  -9.988 -16.838
  331    HG2  GLU1549           HG2      GLU1549  55.418  -8.855 -18.157
  332    HG3  GLU1549           HG3      GLU1549  55.368 -10.166 -16.990
  333    H    GLY1550           H        GLY1550  51.534  -6.356 -17.076
  334    HA2  GLY1550           HA2      GLY1550  49.301  -5.757 -16.590
  335    HA3  GLY1550           HA3      GLY1550  48.765  -7.398 -16.950
  336    H    PHE1551           H        PHE1551  49.572  -5.219 -14.481
  337    HA   PHE1551           HA       PHE1551  50.213  -7.189 -12.406
  338    HB2  PHE1551           HB2      PHE1551  51.287  -4.976 -12.485
  339    HB3  PHE1551           HB3      PHE1551  49.727  -4.207 -12.272
  340    HD1  PHE1551           HD1      PHE1551  48.750  -3.954 -10.080
  341    HD2  PHE1551           HD2      PHE1551  52.217  -6.464 -10.605
  342    HE1  PHE1551           HE1      PHE1551  49.051  -4.060  -7.625
  343    HE2  PHE1551           HE2      PHE1551  52.493  -6.584  -8.140
  344    HZ   PHE1551           HZ       PHE1551  50.913  -5.365  -6.659
  345    H    ASP1552           H        ASP1552  48.994  -7.348 -10.395
  346    HA   ASP1552           HA       ASP1552  46.040  -7.061 -10.621
  347    HB2  ASP1552           HB2      ASP1552  47.568  -9.589  -9.914
  348    HB3  ASP1552           HB3      ASP1552  45.838  -9.397  -9.840
  349    H    CYS1553           HN       CYS1553  45.088  -6.479  -8.664
  350    HA   CYS1553           HA       CYS1553  46.730  -5.841  -6.442
  351    HB2  CYS1553           HB2      CYS1553  44.768  -5.026  -5.413
  352    HB3  CYS1553           HB3      CYS1553  44.596  -4.666  -7.104
  353    H    VAL1554           H        VAL1554  45.705  -6.370  -4.238
  354    HA   VAL1554           HA       VAL1554  46.637  -8.794  -3.254
  355    HB   VAL1554           HB       VAL1554  44.492  -6.971  -2.086
  356   HG11  VAL1554          HG11      VAL1554  46.319  -8.993  -0.745
  357   HG12  VAL1554          HG12      VAL1554  44.539  -9.058  -0.845
  358   HG13  VAL1554          HG13      VAL1554  45.313  -7.797   0.113
  359   HG21  VAL1554          HG21      VAL1554  46.359  -5.928  -0.828
  360   HG22  VAL1554          HG22      VAL1554  46.545  -5.691  -2.560
  361   HG23  VAL1554          HG23      VAL1554  47.521  -6.921  -1.735
  362    H    SER1555           H        SER1555  43.307  -8.094  -4.394
  363    HA   SER1555           HA       SER1555  42.355 -10.771  -3.503
  364    HB2  SER1555           HB2      SER1555  40.891  -8.498  -4.884
  365    HB3  SER1555           HB3      SER1555  40.169 -10.004  -4.280
  366    HG   SER1555           HG       SER1555  39.953  -8.265  -2.763
  367    H    CYS1556           HN       CYS1556  43.133  -8.963  -6.483
  368    HA   CYS1556           HA       CYS1556  42.110 -10.924  -8.288
  369    HB2  CYS1556           HB2      CYS1556  43.993  -8.574  -8.500
  370    HB3  CYS1556           HB3      CYS1556  43.689  -9.664  -9.871
  371    H    GLN1557           H        GLN1557  45.167 -10.557  -6.535
  372    HA   GLN1557           HA       GLN1557  46.683 -12.509  -7.832
  373    HB2  GLN1557           HB2      GLN1557  46.672 -11.411  -5.062
  374    HB3  GLN1557           HB3      GLN1557  47.713 -12.795  -5.454
  375    HG2  GLN1557           HG2      GLN1557  48.940 -11.570  -7.066
  376    HG3  GLN1557           HG3      GLN1557  47.672 -10.362  -7.256
  377   HE21  GLN1557          HE21      GLN1557  48.599  -8.446  -6.639
  378   HE22  GLN1557          HE22      GLN1557  49.373  -8.230  -5.081
  379    HA   PRO1558           HA       PRO1558  44.721 -16.106  -5.151
  380    HB2  PRO1558           HB2      PRO1558  42.191 -14.583  -4.446
  381    HB3  PRO1558           HB3      PRO1558  42.902 -16.012  -3.627
  382    HG2  PRO1558           HG2      PRO1558  43.328 -13.533  -2.632
  383    HG3  PRO1558           HG3      PRO1558  44.683 -14.702  -2.723
  384    HD2  PRO1558           HD2      PRO1558  44.093 -12.371  -4.526
  385    HD3  PRO1558           HD3      PRO1558  45.646 -13.004  -3.948
  386    H    TYR1559           H        TYR1559  42.598 -13.807  -6.996
  387    HA   TYR1559           HA       TYR1559  41.174 -15.940  -8.339
  388    HB2  TYR1559           HB2      TYR1559  41.522 -13.100  -9.299
  389    HB3  TYR1559           HB3      TYR1559  40.230 -14.214  -9.710
  390    HD1  TYR1559           HD1      TYR1559  39.953 -15.108  -6.574
  391    HD2  TYR1559           HD2      TYR1559  39.859 -11.401  -8.787
  392    HE1  TYR1559           HE1      TYR1559  38.625 -14.061  -4.770
  393    HE2  TYR1559           HE2      TYR1559  38.490 -10.374  -7.002
  394    HH   TYR1559           HH       TYR1559  37.351 -10.715  -5.008
  395    H    VAL1560           H        VAL1560  44.133 -14.232  -9.177
  396    HA   VAL1560           HA       VAL1560  44.216 -15.421 -11.865
  397    HB   VAL1560           HB       VAL1560  44.472 -12.900 -11.210
  398   HG11  VAL1560          HG11      VAL1560  47.414 -13.709 -11.093
  399   HG12  VAL1560          HG12      VAL1560  46.449 -13.447  -9.648
  400   HG13  VAL1560          HG13      VAL1560  46.693 -12.108 -10.760
  401   HG21  VAL1560          HG21      VAL1560  46.351 -14.100 -13.264
  402   HG22  VAL1560          HG22      VAL1560  45.763 -12.424 -13.176
  403   HG23  VAL1560          HG23      VAL1560  44.627 -13.737 -13.502
  404    H    VAL1561           H        VAL1561  46.284 -15.755  -8.967
  405    HA   VAL1561           HA       VAL1561  48.621 -16.401 -10.426
  406    HB   VAL1561           HB       VAL1561  49.518 -17.376  -8.407
  407   HG11  VAL1561          HG11      VAL1561  49.522 -15.338  -7.036
  408   HG12  VAL1561          HG12      VAL1561  48.152 -14.703  -7.964
  409   HG13  VAL1561          HG13      VAL1561  49.700 -14.992  -8.762
  410   HG21  VAL1561          HG21      VAL1561  46.805 -16.910  -7.117
  411   HG22  VAL1561          HG22      VAL1561  48.302 -17.321  -6.264
  412   HG23  VAL1561          HG23      VAL1561  47.592 -18.473  -7.404
  413    H    LYS1562           H        LYS1562  45.894 -18.403  -9.726
  414    HA   LYS1562           HA       LYS1562  46.984 -20.375 -11.569
  415    HB2  LYS1562           HB2      LYS1562  45.830 -21.175  -8.840
  416    HB3  LYS1562           HB3      LYS1562  46.048 -22.298 -10.184
  417    HG2  LYS1562           HG2      LYS1562  48.509 -21.837 -10.152
  418    HG3  LYS1562           HG3      LYS1562  48.264 -20.820  -8.714
  419    HD2  LYS1562           HD2      LYS1562  47.353 -22.761  -7.473
  420    HD3  LYS1562           HD3      LYS1562  47.479 -23.755  -8.923
  421    HE2  LYS1562           HE2      LYS1562  49.316 -24.332  -7.529
  422    HE3  LYS1562           HE3      LYS1562  49.958 -23.457  -8.917
  423    HZ1  LYS1562           HZ1      LYS1562  50.950 -22.722  -6.800
  424    HZ2  LYS1562           HZ2      LYS1562  49.499 -22.269  -6.218
  425    HZ3  LYS1562           HZ3      LYS1562  50.158 -21.478  -7.493
  426    HA   LYS  12           HA       LYS  12  49.899   8.979 -15.318
  427    H    GLY  13           H        GLY  13  48.300   6.270 -17.010
  428    HA2  GLY  13           HA2      GLY  13  47.555   4.861 -14.574
  429    HA3  GLY  13           HA3      GLY  13  47.344   4.302 -16.229
  430    H    GLY  14           H        GLY  14  47.992   2.487 -14.398
  431    HA2  GLY  14           HA2      GLY  14  49.316   0.592 -14.325
  432    HA3  GLY  14           HA3      GLY  14  50.430   1.328 -15.468
  433    H    ALA  15           H        ALA  15  51.598   3.381 -14.290
  434    HA   ALA  15           HA       ALA  15  52.642   2.526 -11.634
  435    HB1  ALA  15           HB1      ALA  15  54.329   3.073 -14.111
  436    HB2  ALA  15           HB2      ALA  15  54.059   1.487 -13.353
  437    HB3  ALA  15           HB3      ALA  15  54.945   2.757 -12.477
  438   HH31  ALY  16           H26      ALY  16  44.919   9.000 -10.456
  439   HH32  ALY  16           H27      ALY  16  45.145  10.738 -10.178
  440   HH33  ALY  16           H28      ALY  16  45.362   9.588  -8.835
  441    HZ   ALY  16           HZ1      ALY  16  46.851   7.633  -9.881
  442    HE3  ALY  16           HE3      ALY  16  48.872   7.058 -10.941
  443    HE2  ALY  16           HE2      ALY  16  49.277   8.767 -11.149
  444    HD3  ALY  16           HD3      ALY  16  49.529   8.908  -8.609
  445    HD2  ALY  16           HD2      ALY  16  49.365   7.140  -8.561
  446    HG3  ALY  16           HG3      ALY  16  51.500   8.647 -10.150
  447    HG2  ALY  16           HG2      ALY  16  51.737   8.010  -8.515
  448    HB3  ALY  16           HB3      ALY  16  51.297   5.730  -9.296
  449    HB2  ALY  16           HB2      ALY  16  50.941   6.318 -10.916
  450    HA   ALY  16           HA       ALY  16  53.220   6.994 -11.281
  451    H    ALY  16           H        ALY  16  53.288   4.180 -10.293
  452    H    ARG  17           H        ARG  17  54.312   8.443 -10.169
  453    HA   ARG  17           HA       ARG  17  55.104   8.105  -7.348
  454    HB2  ARG  17           HB2      ARG  17  57.077   8.470  -9.648
  455    HB3  ARG  17           HB3      ARG  17  57.431   9.082  -8.032
  456    HG2  ARG  17           HG2      ARG  17  57.072   6.816  -7.085
  457    HG3  ARG  17           HG3      ARG  17  56.885   6.168  -8.724
  458    HD2  ARG  17           HD2      ARG  17  59.371   7.631  -7.706
  459    HD3  ARG  17           HD3      ARG  17  59.163   5.887  -7.672
  460    HE   ARG  17           HE       ARG  17  59.276   5.741 -10.038
  461   HH11  ARG  17          HH11      ARG  17  60.298   6.207 -11.809
  462   HH12  ARG  17          HH12      ARG  17  60.878   7.833 -12.139
  463   HH21  ARG  17          HH21      ARG  17  59.917   9.074  -9.064
  464   HH22  ARG  17          HH22      ARG  17  60.674   9.424 -10.594
  465    H    HIS  18           H        HIS  18  55.941  10.176  -6.455
  466    HA   HIS  18           HA       HIS  18  54.160  12.362  -6.976
  467    HB2  HIS  18           HB2      HIS  18  55.425  13.475  -5.248
  468    HB3  HIS  18           HB3      HIS  18  55.170  11.802  -4.781
  469    HD2  HIS  18           HD2      HIS  18  57.691  14.166  -4.242
  470    HE1  HIS  18           HE1      HIS  18  60.070  10.813  -5.379
  471    HE2  HIS  18           HE2      HIS  18  60.105  13.109  -4.268
  472    H    ARG  19           H        ARG  19  57.489  11.748  -8.047
  473    HA   ARG  19           HA       ARG  19  58.818  12.749  -9.660
  Start of MODEL    6
    1    H    SER1503           H        SER1503  39.146   5.362  -4.316
    2    HA   SER1503           HA       SER1503  40.455   3.120  -4.720
    3    HB2  SER1503           HB2      SER1503  40.733   5.539  -6.539
    4    HB3  SER1503           HB3      SER1503  41.015   3.864  -7.043
    5    HG   SER1503           HG       SER1503  38.793   4.908  -7.324
    6    H    LEU1504           H        LEU1504  42.103   5.531  -3.254
    7    HA   LEU1504           HA       LEU1504  44.772   4.259  -3.751
    8    HB2  LEU1504           HB2      LEU1504  44.352   7.276  -3.514
    9    HB3  LEU1504           HB3      LEU1504  45.864   6.420  -3.709
   10    HG   LEU1504           HG       LEU1504  44.555   5.542  -5.937
   11   HD11  LEU1504          HD11      LEU1504  43.682   8.441  -5.572
   12   HD12  LEU1504          HD12      LEU1504  42.591   7.042  -5.515
   13   HD13  LEU1504          HD13      LEU1504  43.443   7.433  -7.016
   14   HD21  LEU1504          HD21      LEU1504  46.818   6.469  -5.904
   15   HD22  LEU1504          HD22      LEU1504  46.171   8.102  -5.664
   16   HD23  LEU1504          HD23      LEU1504  45.860   7.225  -7.185
   17    H    VAL1505           H        VAL1505  42.757   6.166  -1.507
   18    HA   VAL1505           HA       VAL1505  44.825   6.370   0.471
   19    HB   VAL1505           HB       VAL1505  41.970   7.011   1.146
   20   HG11  VAL1505          HG11      VAL1505  43.780   7.469   2.830
   21   HG12  VAL1505          HG12      VAL1505  43.034   8.955   2.253
   22   HG13  VAL1505          HG13      VAL1505  44.618   8.461   1.632
   23   HG21  VAL1505          HG21      VAL1505  42.252   9.251   0.085
   24   HG22  VAL1505          HG22      VAL1505  42.112   7.962  -1.099
   25   HG23  VAL1505          HG23      VAL1505  43.716   8.658  -0.730
   26    H    THR1506           H        THR1506  43.886   3.528  -0.171
   27    HA   THR1506           HA       THR1506  44.163   2.612   2.536
   28    HB   THR1506           HB       THR1506  41.860   1.399   0.959
   29    HG1  THR1506           HG1      THR1506  41.189   3.398   1.779
   30   HG21  THR1506          HG21      THR1506  41.442   0.110   2.953
   31   HG22  THR1506          HG22      THR1506  42.633   1.025   3.891
   32   HG23  THR1506          HG23      THR1506  43.167  -0.074   2.612
   33    H    CYS1507           HN       CYS1507  45.899   1.438   2.263
   34    HA   CYS1507           HA       CYS1507  46.086  -0.505   0.008
   35    HB2  CYS1507           HB2      CYS1507  47.816   1.269  -0.051
   36    HB3  CYS1507           HB3      CYS1507  48.338   0.790   1.569
   37    HA   PRO1508           HA       PRO1508  44.982  -2.763   3.883
   38    HB2  PRO1508           HB2      PRO1508  44.657  -4.844   1.684
   39    HB3  PRO1508           HB3      PRO1508  43.703  -4.648   3.183
   40    HG2  PRO1508           HG2      PRO1508  42.728  -3.607   0.890
   41    HG3  PRO1508           HG3      PRO1508  42.767  -2.538   2.327
   42    HD2  PRO1508           HD2      PRO1508  44.791  -2.749   0.057
   43    HD3  PRO1508           HD3      PRO1508  43.997  -1.296   0.723
   44    H    ILE1509           H        ILE1509  47.487  -3.303   1.609
   45    HA   ILE1509           HA       ILE1509  48.559  -5.752   2.816
   46    HB   ILE1509           HB       ILE1509  49.905  -3.904   0.819
   47   HG12  ILE1509          HG12      ILE1509  49.124  -6.077  -0.653
   48   HG13  ILE1509          HG13      ILE1509  47.778  -6.035   0.473
   49   HG21  ILE1509          HG21      ILE1509  51.441  -5.448   1.937
   50   HG22  ILE1509          HG22      ILE1509  51.163  -6.011   0.289
   51   HG23  ILE1509          HG23      ILE1509  50.322  -6.808   1.638
   52   HD11  ILE1509          HD11      ILE1509  47.308  -3.673  -0.261
   53   HD12  ILE1509          HD12      ILE1509  47.312  -4.808  -1.616
   54   HD13  ILE1509          HD13      ILE1509  48.716  -3.760  -1.343
   55    H    CYS1510           HN       CYS1510  49.233  -2.266   3.138
   56    HA   CYS1510           HA       CYS1510  51.023  -2.843   5.443
   57    HB2  CYS1510           HB2      CYS1510  51.737  -0.501   5.193
   58    HB3  CYS1510           HB3      CYS1510  52.178  -1.536   3.823
   59    H    HIS1511           H        HIS1511  47.880  -2.297   4.847
   60    HA   HIS1511           HA       HIS1511  46.052  -1.684   5.997
   61    HB2  HIS1511           HB2      HIS1511  47.646  -1.380   8.514
   62    HB3  HIS1511           HB3      HIS1511  45.927  -1.641   8.355
   63    HD2  HIS1511           HD2      HIS1511  45.041  -4.118   7.876
   64    HE1  HIS1511           HE1      HIS1511  48.781  -6.144   8.190
   65    HE2  HIS1511           HE2      HIS1511  46.262  -6.452   8.031
   66    H    ALA1512           H        ALA1512  47.192   0.110   4.473
   67    HA   ALA1512           HA       ALA1512  46.627   2.043   3.685
   68    HB1  ALA1512           HB1      ALA1512  44.790   3.287   4.570
   69    HB2  ALA1512           HB2      ALA1512  45.061   2.631   6.187
   70    HB3  ALA1512           HB3      ALA1512  44.535   1.550   4.880
   71    HA   PRO1513           HA       PRO1513  49.244   5.253   6.064
   72    HB2  PRO1513           HB2      PRO1513  51.828   4.396   6.232
   73    HB3  PRO1513           HB3      PRO1513  50.648   4.180   7.559
   74    HG2  PRO1513           HG2      PRO1513  51.496   2.158   5.467
   75    HG3  PRO1513           HG3      PRO1513  51.329   1.927   7.232
   76    HD2  PRO1513           HD2      PRO1513  49.371   1.226   5.442
   77    HD3  PRO1513           HD3      PRO1513  48.998   1.801   7.096
   78    H    TYR1514           H        TYR1514  49.146   6.460   4.181
   79    HA   TYR1514           HA       TYR1514  49.648   5.221   1.665
   80    HB2  TYR1514           HB2      TYR1514  47.927   6.953   2.122
   81    HB3  TYR1514           HB3      TYR1514  49.202   8.169   2.192
   82    HD1  TYR1514           HD1      TYR1514  48.013   5.355  -0.038
   83    HD2  TYR1514           HD2      TYR1514  49.631   9.353   0.175
   84    HE1  TYR1514           HE1      TYR1514  47.919   5.518  -2.509
   85    HE2  TYR1514           HE2      TYR1514  49.518   9.524  -2.303
   86    HH   TYR1514           HH       TYR1514  48.851   8.507  -4.266
   87    H    VAL1515           H        VAL1515  51.749   7.269   3.573
   88    HA   VAL1515           HA       VAL1515  53.876   7.991   3.369
   89    HB   VAL1515           HB       VAL1515  54.278   5.479   1.710
   90   HG11  VAL1515          HG11      VAL1515  56.229   7.013   1.583
   91   HG12  VAL1515          HG12      VAL1515  56.602   5.613   2.588
   92   HG13  VAL1515          HG13      VAL1515  56.229   7.176   3.349
   93   HG21  VAL1515          HG21      VAL1515  54.456   5.965   4.721
   94   HG22  VAL1515          HG22      VAL1515  54.964   4.478   3.882
   95   HG23  VAL1515          HG23      VAL1515  53.268   4.945   3.888
   96    H    GLU1516           H        GLU1516  54.065   9.894   2.434
   97    HA   GLU1516           HA       GLU1516  53.866  10.471  -0.345
   98    HB2  GLU1516           HB2      GLU1516  53.692  12.099   1.547
   99    HB3  GLU1516           HB3      GLU1516  55.422  11.923   1.836
  100    HG2  GLU1516           HG2      GLU1516  54.868  13.984   0.615
  101    HG3  GLU1516           HG3      GLU1516  55.935  12.951  -0.314
  102    H    GLU1517           H        GLU1517  55.496  11.050  -1.784
  103    HA   GLU1517           HA       GLU1517  57.237  10.685  -3.145
  104    HB2  GLU1517           HB2      GLU1517  59.012   9.907  -0.835
  105    HB3  GLU1517           HB3      GLU1517  59.454  10.571  -2.403
  106    HG2  GLU1517           HG2      GLU1517  58.117  12.666  -1.738
  107    HG3  GLU1517           HG3      GLU1517  58.115  12.007  -0.091
  108    H    ASP1518           H        ASP1518  56.224   7.930  -1.275
  109    HA   ASP1518           HA       ASP1518  57.943   6.018  -2.546
  110    HB2  ASP1518           HB2      ASP1518  56.588   5.784  -0.368
  111    HB3  ASP1518           HB3      ASP1518  55.217   5.376  -1.401
  112    H    LEU1519           H        LEU1519  57.367   4.325  -4.032
  113    HA   LEU1519           HA       LEU1519  55.829   5.367  -6.301
  114    HB2  LEU1519           HB2      LEU1519  57.895   4.710  -7.116
  115    HB3  LEU1519           HB3      LEU1519  58.085   3.487  -5.891
  116    HG   LEU1519           HG       LEU1519  56.561   1.982  -7.191
  117   HD11  LEU1519          HD11      LEU1519  56.507   2.250  -9.652
  118   HD12  LEU1519          HD12      LEU1519  57.080   3.910  -9.496
  119   HD13  LEU1519          HD13      LEU1519  55.475   3.417  -8.875
  120   HD21  LEU1519          HD21      LEU1519  59.146   2.884  -8.500
  121   HD22  LEU1519          HD22      LEU1519  58.380   1.285  -8.665
  122   HD23  LEU1519          HD23      LEU1519  59.016   1.793  -7.102
  123    H    LEU1520           H        LEU1520  54.079   4.443  -7.214
  124    HA   LEU1520           HA       LEU1520  52.837   2.066  -5.900
  125    HB2  LEU1520           HB2      LEU1520  51.344   4.551  -6.806
  126    HB3  LEU1520           HB3      LEU1520  50.674   3.112  -6.067
  127    HG   LEU1520           HG       LEU1520  52.526   3.824  -4.143
  128   HD11  LEU1520          HD11      LEU1520  52.990   5.974  -5.386
  129   HD12  LEU1520          HD12      LEU1520  52.325   6.219  -3.767
  130   HD13  LEU1520          HD13      LEU1520  51.284   6.409  -5.191
  131   HD21  LEU1520          HD21      LEU1520  49.652   4.794  -4.371
  132   HD22  LEU1520          HD22      LEU1520  50.622   4.702  -2.878
  133   HD23  LEU1520          HD23      LEU1520  50.178   3.216  -3.733
  134    H    ILE1521           H        ILE1521  51.182   1.032  -7.051
  135    HA   ILE1521           HA       ILE1521  51.272   1.080 -10.006
  136    HB   ILE1521           HB       ILE1521  52.964  -0.514  -9.305
  137   HG12  ILE1521          HG12      ILE1521  50.481  -1.968 -10.312
  138   HG13  ILE1521          HG13      ILE1521  51.617  -1.035 -11.293
  139   HG21  ILE1521          HG21      ILE1521  52.141  -1.032  -7.015
  140   HG22  ILE1521          HG22      ILE1521  52.501  -2.487  -7.922
  141   HG23  ILE1521          HG23      ILE1521  50.811  -1.980  -7.716
  142   HD11  ILE1521          HD11      ILE1521  52.169  -3.336 -11.591
  143   HD12  ILE1521          HD12      ILE1521  52.134  -3.663  -9.857
  144   HD13  ILE1521          HD13      ILE1521  53.435  -2.670 -10.547
  145    H    GLN1522           H        GLN1522  49.336   0.233 -10.959
  146    HA   GLN1522           HA       GLN1522  47.108  -0.389  -9.080
  147    HB2  GLN1522           HB2      GLN1522  45.554   0.791 -10.594
  148    HB3  GLN1522           HB3      GLN1522  46.659   1.870  -9.753
  149    HG2  GLN1522           HG2      GLN1522  47.994   2.189 -11.737
  150    HG3  GLN1522           HG3      GLN1522  47.175   0.860 -12.567
  151   HE21  GLN1522          HE21      GLN1522  44.717   2.750 -11.044
  152   HE22  GLN1522          HE22      GLN1522  44.380   3.685 -12.496
  153    H    CYS1523           HN       CYS1523  45.477  -1.753  -9.808
  154    HA   CYS1523           HA       CYS1523  46.185  -3.834 -11.618
  155    HB2  CYS1523           HB2      CYS1523  44.559  -4.057  -9.779
  156    HB3  CYS1523           HB3      CYS1523  43.458  -2.938 -10.610
  157    H    ARG1524           H        ARG1524  45.905  -4.098 -13.803
  158    HA   ARG1524           HA       ARG1524  45.140  -1.871 -15.510
  159    HB2  ARG1524           HB2      ARG1524  45.278  -3.427 -17.356
  160    HB3  ARG1524           HB3      ARG1524  46.684  -3.581 -16.320
  161    HG2  ARG1524           HG2      ARG1524  45.871  -5.668 -15.386
  162    HG3  ARG1524           HG3      ARG1524  44.283  -5.465 -16.111
  163    HD2  ARG1524           HD2      ARG1524  46.813  -5.736 -17.771
  164    HD3  ARG1524           HD3      ARG1524  45.855  -7.117 -17.266
  165    HE   ARG1524           HE       ARG1524  45.224  -5.220 -19.376
  166   HH11  ARG1524          HH11      ARG1524  43.718  -7.499 -17.146
  167   HH12  ARG1524          HH12      ARG1524  42.308  -7.679 -18.170
  168   HH21  ARG1524          HH21      ARG1524  42.141  -6.574 -20.076
  169   HH22  ARG1524          HH22      ARG1524  43.397  -5.496 -20.603
  170    H    HIS1525           H        HIS1525  43.224  -4.203 -13.859
  171    HA   HIS1525           HA       HIS1525  40.887  -3.834 -15.688
  172    HB2  HIS1525           HB2      HIS1525  41.663  -6.144 -15.147
  173    HB3  HIS1525           HB3      HIS1525  41.303  -5.840 -13.446
  174    HD2  HIS1525           HD2      HIS1525  38.858  -6.342 -12.685
  175    HE1  HIS1525           HE1      HIS1525  36.956  -6.616 -16.496
  176    HE2  HIS1525           HE2      HIS1525  36.630  -6.888 -13.983
  177    H    CYS1526           HN       CYS1526  41.693  -3.790 -12.193
  178    HA   CYS1526           HA       CYS1526  39.167  -2.554 -11.522
  179    HB2  CYS1526           HB2      CYS1526  41.534  -3.388  -9.797
  180    HB3  CYS1526           HB3      CYS1526  39.900  -3.013  -9.243
  181    H    GLU1527           H        GLU1527  42.368  -1.347 -12.095
  182    HA   GLU1527           HA       GLU1527  43.447   0.598 -11.883
  183    HB2  GLU1527           HB2      GLU1527  40.664   1.791 -11.855
  184    HB3  GLU1527           HB3      GLU1527  42.150   2.728 -11.975
  185    HG2  GLU1527           HG2      GLU1527  42.815   1.418 -13.987
  186    HG3  GLU1527           HG3      GLU1527  41.241   0.612 -13.946
  187    H    ARG1528           H        ARG1528  41.965  -0.569  -9.176
  188    HA   ARG1528           HA       ARG1528  42.523   1.554  -7.299
  189    HB2  ARG1528           HB2      ARG1528  41.897  -1.393  -7.123
  190    HB3  ARG1528           HB3      ARG1528  42.779  -0.687  -5.771
  191    HG2  ARG1528           HG2      ARG1528  40.428  -0.578  -5.266
  192    HG3  ARG1528           HG3      ARG1528  41.080   1.040  -5.477
  193    HD2  ARG1528           HD2      ARG1528  40.164   0.827  -7.939
  194    HD3  ARG1528           HD3      ARG1528  39.190  -0.493  -7.307
  195    HE   ARG1528           HE       ARG1528  38.939   2.399  -6.823
  196   HH11  ARG1528          HH11      ARG1528  37.840  -0.691  -5.557
  197   HH12  ARG1528          HH12      ARG1528  36.564   0.063  -4.641
  198   HH21  ARG1528          HH21      ARG1528  37.441   3.269  -5.629
  199   HH22  ARG1528          HH22      ARG1528  36.321   2.296  -4.694
  200    H    TRP1529           H        TRP1529  44.254   2.163  -6.265
  201    HA   TRP1529           HA       TRP1529  46.869   1.234  -7.223
  202    HB2  TRP1529           HB2      TRP1529  45.944   3.618  -5.597
  203    HB3  TRP1529           HB3      TRP1529  47.623   3.292  -5.989
  204    HD1  TRP1529           HD1      TRP1529  44.325   4.232  -7.743
  205    HE1  TRP1529           HE1      TRP1529  44.851   5.251 -10.031
  206    HE3  TRP1529           HE3      TRP1529  49.306   3.160  -7.948
  207    HZ2  TRP1529           HZ2      TRP1529  47.162   5.615 -11.704
  208    HZ3  TRP1529           HZ3      TRP1529  50.636   3.749  -9.962
  209    HH2  TRP1529           HH2      TRP1529  49.592   5.038 -11.819
  210    H    MET1530           H        MET1530  48.610   0.728  -5.980
  211    HA   MET1530           HA       MET1530  48.528   0.428  -3.064
  212    HB2  MET1530           HB2      MET1530  49.046  -1.966  -3.120
  213    HB3  MET1530           HB3      MET1530  47.475  -1.652  -3.841
  214    HG2  MET1530           HG2      MET1530  48.974  -1.575  -6.096
  215    HG3  MET1530           HG3      MET1530  50.016  -2.582  -5.120
  216    HE1  MET1530           HE1      MET1530  45.848  -3.531  -6.836
  217    HE2  MET1530           HE2      MET1530  46.938  -2.200  -7.283
  218    HE3  MET1530           HE3      MET1530  46.092  -2.168  -5.721
  219    H    HIS1531           H        HIS1531  50.755  -0.115  -2.232
  220    HA   HIS1531           HA       HIS1531  52.766   1.302  -3.757
  221    HB2  HIS1531           HB2      HIS1531  53.215  -0.422  -1.314
  222    HB3  HIS1531           HB3      HIS1531  54.283   0.828  -1.944
  223    HD2  HIS1531           HD2      HIS1531  53.243   3.439  -1.858
  224    HE1  HIS1531           HE1      HIS1531  50.640   2.606   1.394
  225    HE2  HIS1531           HE2      HIS1531  51.749   4.454   0.027
  226    H    ALA1532           H        ALA1532  54.645   0.595  -4.751
  227    HA   ALA1532           HA       ALA1532  54.579  -1.952  -6.068
  228    HB1  ALA1532           HB1      ALA1532  56.830   0.062  -5.617
  229    HB2  ALA1532           HB2      ALA1532  55.671   0.007  -6.970
  230    HB3  ALA1532           HB3      ALA1532  56.873  -1.278  -6.778
  231    H    GLY1533           H        GLY1533  56.450  -0.876  -3.173
  232    HA2  GLY1533           HA2      GLY1533  57.858  -3.304  -2.733
  233    HA3  GLY1533           HA3      GLY1533  57.495  -2.076  -1.512
  234    H    CYS1534           HN       CYS1534  54.618  -2.284  -1.571
  235    HA   CYS1534           HA       CYS1534  53.980  -4.532   0.038
  236    HB2  CYS1534           HB2      CYS1534  52.315  -2.563  -1.566
  237    HB3  CYS1534           HB3      CYS1534  51.603  -3.840  -0.590
  238    H    GLU1535           H        GLU1535  53.695  -4.089  -3.467
  239    HA   GLU1535           HA       GLU1535  52.844  -6.879  -3.874
  240    HB2  GLU1535           HB2      GLU1535  53.295  -4.530  -5.751
  241    HB3  GLU1535           HB3      GLU1535  52.750  -6.124  -6.283
  242    HG2  GLU1535           HG2      GLU1535  51.316  -4.331  -4.269
  243    HG3  GLU1535           HG3      GLU1535  50.879  -4.565  -5.935
  244    H    SER1536           H        SER1536  55.733  -5.879  -3.026
  245    HA   SER1536           HA       SER1536  57.800  -6.652  -3.144
  246    HB2  SER1536           HB2      SER1536  56.561  -8.814  -2.907
  247    HB3  SER1536           HB3      SER1536  56.807  -9.087  -4.639
  248    HG   SER1536           HG       SER1536  59.067  -8.985  -4.262
  249    H    LEU1537           H        LEU1537  56.785  -5.007  -5.483
  250    HA   LEU1537           HA       LEU1537  58.965  -5.580  -7.455
  251    HB2  LEU1537           HB2      LEU1537  56.830  -3.415  -7.514
  252    HB3  LEU1537           HB3      LEU1537  58.083  -3.664  -8.698
  253    HG   LEU1537           HG       LEU1537  56.375  -4.568  -9.806
  254   HD11  LEU1537          HD11      LEU1537  57.929  -6.439  -9.663
  255   HD12  LEU1537          HD12      LEU1537  56.268  -7.008  -9.750
  256   HD13  LEU1537          HD13      LEU1537  57.106  -7.038  -8.194
  257   HD21  LEU1537          HD21      LEU1537  54.676  -4.124  -8.158
  258   HD22  LEU1537          HD22      LEU1537  55.129  -5.592  -7.262
  259   HD23  LEU1537          HD23      LEU1537  54.430  -5.716  -8.889
  260    H    PHE1538           H        PHE1538  60.913  -4.918  -6.677
  261    HA   PHE1538           HA       PHE1538  61.070  -2.920  -4.582
  262    HB2  PHE1538           HB2      PHE1538  63.278  -4.378  -6.080
  263    HB3  PHE1538           HB3      PHE1538  63.454  -3.470  -4.581
  264    HD1  PHE1538           HD1      PHE1538  62.255  -4.157  -2.499
  265    HD2  PHE1538           HD2      PHE1538  62.609  -6.702  -5.962
  266    HE1  PHE1538           HE1      PHE1538  61.788  -6.128  -1.090
  267    HE2  PHE1538           HE2      PHE1538  62.130  -8.687  -4.542
  268    HZ   PHE1538           HZ       PHE1538  61.716  -8.409  -2.106
  269    H    THR1539           H        THR1539  61.181  -2.591  -8.005
  270    HA   THR1539           HA       THR1539  62.258   0.179  -7.814
  271    HB   THR1539           HB       THR1539  63.684  -0.153  -9.727
  272    HG1  THR1539           HG1      THR1539  63.927  -2.374 -10.502
  273   HG21  THR1539          HG21      THR1539  64.684  -0.811  -7.515
  274   HG22  THR1539          HG22      THR1539  65.411  -1.609  -8.917
  275   HG23  THR1539          HG23      THR1539  64.277  -2.504  -7.894
  276    H    GLU1540           H        GLU1540  61.877   1.454  -9.822
  277    HA   GLU1540           HA       GLU1540  59.215   1.192 -10.887
  278    HB2  GLU1540           HB2      GLU1540  60.512   3.289 -10.682
  279    HB3  GLU1540           HB3      GLU1540  61.592   2.738 -11.969
  280    HG2  GLU1540           HG2      GLU1540  59.670   2.643 -13.536
  281    HG3  GLU1540           HG3      GLU1540  58.588   3.184 -12.247
  282    H    ASP1541           H        ASP1541  62.350  -0.107 -11.981
  283    HA   ASP1541           HA       ASP1541  61.404  -1.010 -14.572
  284    HB2  ASP1541           HB2      ASP1541  63.701  -2.053 -12.879
  285    HB3  ASP1541           HB3      ASP1541  63.404  -2.429 -14.570
  286    H    ASP1542           H        ASP1542  61.533  -2.585 -11.309
  287    HA   ASP1542           HA       ASP1542  60.418  -5.089 -12.173
  288    HB2  ASP1542           HB2      ASP1542  60.490  -3.621  -9.517
  289    HB3  ASP1542           HB3      ASP1542  59.749  -5.185  -9.729
  290    H    VAL1543           H        VAL1543  58.894  -2.011 -11.105
  291    HA   VAL1543           HA       VAL1543  56.164  -2.964 -11.350
  292    HB   VAL1543           HB       VAL1543  57.396  -0.197 -11.390
  293   HG11  VAL1543          HG11      VAL1543  54.447  -0.920 -11.573
  294   HG12  VAL1543          HG12      VAL1543  55.398   0.055 -12.711
  295   HG13  VAL1543          HG13      VAL1543  55.061   0.670 -11.091
  296   HG21  VAL1543          HG21      VAL1543  55.657  -1.699  -9.380
  297   HG22  VAL1543          HG22      VAL1543  56.244  -0.035  -9.204
  298   HG23  VAL1543          HG23      VAL1543  57.399  -1.370  -9.225
  299    H    GLU1544           H        GLU1544  58.374  -1.436 -13.742
  300    HA   GLU1544           HA       GLU1544  56.481  -1.453 -15.899
  301    HB2  GLU1544           HB2      GLU1544  58.560  -0.142 -15.912
  302    HB3  GLU1544           HB3      GLU1544  59.522  -1.629 -15.973
  303    HG2  GLU1544           HG2      GLU1544  58.598  -2.185 -18.168
  304    HG3  GLU1544           HG3      GLU1544  57.471  -0.828 -18.077
  305    H    GLN1545           H        GLN1545  58.682  -3.976 -14.667
  306    HA   GLN1545           HA       GLN1545  58.108  -5.949 -16.713
  307    HB2  GLN1545           HB2      GLN1545  59.590  -5.829 -14.175
  308    HB3  GLN1545           HB3      GLN1545  58.614  -7.282 -14.246
  309    HG2  GLN1545           HG2      GLN1545  60.839  -7.695 -15.128
  310    HG3  GLN1545           HG3      GLN1545  59.597  -7.949 -16.364
  311   HE21  GLN1545          HE21      GLN1545  60.559  -4.606 -15.580
  312   HE22  GLN1545          HE22      GLN1545  61.466  -4.383 -17.077
  313    H    ALA1546           H        ALA1546  56.607  -5.234 -13.503
  314    HA   ALA1546           HA       ALA1546  54.711  -7.296 -13.715
  315    HB1  ALA1546           HB1      ALA1546  55.238  -6.099 -11.622
  316    HB2  ALA1546           HB2      ALA1546  53.495  -6.072 -11.930
  317    HB3  ALA1546           HB3      ALA1546  54.475  -4.623 -12.248
  318    H    ALA1547           H        ALA1547  54.510  -3.897 -14.834
  319    HA   ALA1547           HA       ALA1547  51.837  -4.019 -15.850
  320    HB1  ALA1547           HB1      ALA1547  52.511  -1.954 -17.034
  321    HB2  ALA1547           HB2      ALA1547  54.215  -2.308 -16.696
  322    HB3  ALA1547           HB3      ALA1547  53.103  -1.933 -15.357
  323    H    ASP1548           H        ASP1548  55.002  -4.732 -17.473
  324    HA   ASP1548           HA       ASP1548  53.887  -5.339 -20.047
  325    HB2  ASP1548           HB2      ASP1548  56.301  -4.942 -19.540
  326    HB3  ASP1548           HB3      ASP1548  56.358  -6.474 -18.671
  327    H    GLU1549           H        GLU1549  54.136  -7.205 -17.074
  328    HA   GLU1549           HA       GLU1549  52.990  -9.676 -18.225
  329    HB2  GLU1549           HB2      GLU1549  53.675  -8.846 -15.392
  330    HB3  GLU1549           HB3      GLU1549  52.989 -10.409 -15.791
  331    HG2  GLU1549           HG2      GLU1549  55.560  -9.507 -17.143
  332    HG3  GLU1549           HG3      GLU1549  55.561 -10.082 -15.487
  333    H    GLY1550           H        GLY1550  51.682  -6.788 -17.745
  334    HA2  GLY1550           HA2      GLY1550  49.470  -6.154 -18.052
  335    HA3  GLY1550           HA3      GLY1550  48.922  -7.780 -17.616
  336    H    PHE1551           H        PHE1551  50.198  -7.961 -15.077
  337    HA   PHE1551           HA       PHE1551  49.609  -7.761 -12.913
  338    HB2  PHE1551           HB2      PHE1551  51.077  -5.799 -13.182
  339    HB3  PHE1551           HB3      PHE1551  49.664  -4.780 -13.418
  340    HD1  PHE1551           HD1      PHE1551  51.380  -7.081 -11.004
  341    HD2  PHE1551           HD2      PHE1551  48.433  -3.985 -11.513
  342    HE1  PHE1551           HE1      PHE1551  51.162  -6.877  -8.536
  343    HE2  PHE1551           HE2      PHE1551  48.204  -3.789  -9.042
  344    HZ   PHE1551           HZ       PHE1551  49.554  -5.258  -7.563
  345    H    ASP1552           H        ASP1552  47.637  -8.865 -13.364
  346    HA   ASP1552           HA       ASP1552  45.128  -7.319 -12.863
  347    HB2  ASP1552           HB2      ASP1552  45.504 -10.300 -13.330
  348    HB3  ASP1552           HB3      ASP1552  43.989  -9.447 -13.194
  349    H    CYS1553           HN       CYS1553  44.298  -7.247 -10.761
  350    HA   CYS1553           HA       CYS1553  46.095  -8.200  -8.713
  351    HB2  CYS1553           HB2      CYS1553  45.127  -6.611  -7.328
  352    HB3  CYS1553           HB3      CYS1553  45.109  -5.905  -8.918
  353    H    VAL1554           H        VAL1554  44.616  -8.328  -6.590
  354    HA   VAL1554           HA       VAL1554  44.347 -11.187  -6.356
  355    HB   VAL1554           HB       VAL1554  43.870  -9.063  -4.224
  356   HG11  VAL1554          HG11      VAL1554  43.259 -11.299  -3.480
  357   HG12  VAL1554          HG12      VAL1554  44.784 -10.848  -2.724
  358   HG13  VAL1554          HG13      VAL1554  44.786 -11.963  -4.117
  359   HG21  VAL1554          HG21      VAL1554  46.278  -9.360  -3.622
  360   HG22  VAL1554          HG22      VAL1554  46.068  -8.570  -5.177
  361   HG23  VAL1554          HG23      VAL1554  46.514 -10.292  -5.116
  362    H    SER1555           H        SER1555  42.033  -8.660  -6.839
  363    HA   SER1555           HA       SER1555  39.740 -10.288  -5.840
  364    HB2  SER1555           HB2      SER1555  39.819  -7.491  -7.006
  365    HB3  SER1555           HB3      SER1555  38.388  -8.322  -6.367
  366    HG   SER1555           HG       SER1555  39.354  -6.938  -4.782
  367    H    CYS1556           HN       CYS1556  41.039  -8.899  -8.909
  368    HA   CYS1556           HA       CYS1556  38.834 -10.003 -10.385
  369    HB2  CYS1556           HB2      CYS1556  39.851  -9.044 -12.347
  370    HB3  CYS1556           HB3      CYS1556  39.664  -7.867 -11.035
  371    H    GLN1557           H        GLN1557  42.069 -11.148  -9.549
  372    HA   GLN1557           HA       GLN1557  42.204 -13.311 -11.348
  373    HB2  GLN1557           HB2      GLN1557  43.321 -12.848  -8.615
  374    HB3  GLN1557           HB3      GLN1557  43.404 -14.463  -9.343
  375    HG2  GLN1557           HG2      GLN1557  44.507 -13.554 -11.346
  376    HG3  GLN1557           HG3      GLN1557  44.347 -11.913 -10.725
  377   HE21  GLN1557          HE21      GLN1557  46.420 -11.240 -10.237
  378   HE22  GLN1557          HE22      GLN1557  47.555 -12.239  -9.349
  379    HA   PRO1558           HA       PRO1558  39.309 -15.959  -8.443
  380    HB2  PRO1558           HB2      PRO1558  37.947 -13.591  -7.121
  381    HB3  PRO1558           HB3      PRO1558  38.059 -15.288  -6.549
  382    HG2  PRO1558           HG2      PRO1558  39.746 -13.408  -5.576
  383    HG3  PRO1558           HG3      PRO1558  40.377 -15.029  -6.024
  384    HD2  PRO1558           HD2      PRO1558  40.610 -12.446  -7.557
  385    HD3  PRO1558           HD3      PRO1558  41.767 -13.776  -7.358
  386    H    TYR1559           H        TYR1559  38.108 -12.670  -9.525
  387    HA   TYR1559           HA       TYR1559  35.695 -13.711 -10.631
  388    HB2  TYR1559           HB2      TYR1559  37.182 -11.282 -11.639
  389    HB3  TYR1559           HB3      TYR1559  35.461 -11.613 -11.766
  390    HD1  TYR1559           HD1      TYR1559  35.382 -12.623  -8.648
  391    HD2  TYR1559           HD2      TYR1559  36.634  -9.069 -10.770
  392    HE1  TYR1559           HE1      TYR1559  35.118 -11.300  -6.587
  393    HE2  TYR1559           HE2      TYR1559  36.314  -7.731  -8.701
  394    HH   TYR1559           HH       TYR1559  35.181  -9.205  -5.622
  395    H    VAL1560           H        VAL1560  38.856 -13.307 -12.216
  396    HA   VAL1560           HA       VAL1560  37.835 -14.150 -14.797
  397    HB   VAL1560           HB       VAL1560  39.480 -12.323 -14.414
  398   HG11  VAL1560          HG11      VAL1560  41.724 -14.358 -14.453
  399   HG12  VAL1560          HG12      VAL1560  41.037 -13.811 -12.934
  400   HG13  VAL1560          HG13      VAL1560  41.769 -12.642 -14.033
  401   HG21  VAL1560          HG21      VAL1560  39.033 -13.229 -16.648
  402   HG22  VAL1560          HG22      VAL1560  40.325 -14.427 -16.436
  403   HG23  VAL1560          HG23      VAL1560  40.715 -12.695 -16.474
  404    H    VAL1561           H        VAL1561  39.840 -15.827 -12.376
  405    HA   VAL1561           HA       VAL1561  39.589 -18.342 -13.967
  406    HB   VAL1561           HB       VAL1561  41.933 -18.921 -13.389
  407   HG11  VAL1561          HG11      VAL1561  41.677 -16.468 -15.137
  408   HG12  VAL1561          HG12      VAL1561  41.370 -18.145 -15.622
  409   HG13  VAL1561          HG13      VAL1561  42.994 -17.653 -15.141
  410   HG21  VAL1561          HG21      VAL1561  42.299 -15.988 -12.681
  411   HG22  VAL1561          HG22      VAL1561  43.544 -17.250 -12.737
  412   HG23  VAL1561          HG23      VAL1561  42.275 -17.316 -11.503
  413    H    LYS1562           H        LYS1562  38.649 -17.098 -11.129
  414    HA   LYS1562           HA       LYS1562  38.180 -17.913  -9.028
  415    HB2  LYS1562           HB2      LYS1562  37.805 -20.445 -10.679
  416    HB3  LYS1562           HB3      LYS1562  37.224 -20.248  -9.032
  417    HG2  LYS1562           HG2      LYS1562  36.374 -18.404 -11.310
  418    HG3  LYS1562           HG3      LYS1562  35.540 -19.907 -10.915
  419    HD2  LYS1562           HD2      LYS1562  34.969 -19.103  -8.683
  420    HD3  LYS1562           HD3      LYS1562  35.958 -17.663  -8.892
  421    HE2  LYS1562           HE2      LYS1562  33.701 -16.984  -9.203
  422    HE3  LYS1562           HE3      LYS1562  34.499 -16.927 -10.777
  423    HZ1  LYS1562           HZ1      LYS1562  32.282 -17.961 -10.892
  424    HZ2  LYS1562           HZ2      LYS1562  32.716 -19.129  -9.842
  425    HZ3  LYS1562           HZ3      LYS1562  33.408 -19.058 -11.323
  426    HA   LYS  12           HA       LYS  12  46.190   7.105 -13.436
  427    H    GLY  13           H        GLY  13  46.735   5.147 -16.372
  428    HA2  GLY  13           HA2      GLY  13  48.651   4.785 -17.602
  429    HA3  GLY  13           HA3      GLY  13  49.534   5.878 -16.538
  430    H    GLY  14           H        GLY  14  48.010   3.237 -14.875
  431    HA2  GLY  14           HA2      GLY  14  48.691   1.094 -14.280
  432    HA3  GLY  14           HA3      GLY  14  50.055   1.230 -15.374
  433    H    ALA  15           H        ALA  15  51.312   3.513 -14.235
  434    HA   ALA  15           HA       ALA  15  52.221   2.599 -11.547
  435    HB1  ALA  15           HB1      ALA  15  53.557   1.465 -13.283
  436    HB2  ALA  15           HB2      ALA  15  54.547   2.649 -12.389
  437    HB3  ALA  15           HB3      ALA  15  53.953   3.029 -14.019
  438   HH31  ALY  16           H26      ALY  16  45.925  11.180  -8.351
  439   HH32  ALY  16           H27      ALY  16  46.354  10.077  -7.019
  440   HH33  ALY  16           H28      ALY  16  45.577   9.447  -8.488
  441    HZ   ALY  16           HZ1      ALY  16  47.495   7.990  -8.317
  442    HE3  ALY  16           HE3      ALY  16  49.183   7.355  -9.874
  443    HE2  ALY  16           HE2      ALY  16  49.725   9.029  -9.999
  444    HD3  ALY  16           HD3      ALY  16  50.431   8.885  -7.548
  445    HD2  ALY  16           HD2      ALY  16  50.099   7.144  -7.628
  446    HG3  ALY  16           HG3      ALY  16  52.055   8.614  -9.459
  447    HG2  ALY  16           HG2      ALY  16  52.518   7.799  -7.960
  448    HB3  ALY  16           HB3      ALY  16  51.786   5.648  -8.800
  449    HB2  ALY  16           HB2      ALY  16  51.097   6.393 -10.242
  450    HA   ALY  16           HA       ALY  16  53.256   6.975 -11.106
  451    H    ALY  16           H        ALY  16  53.286   4.093 -10.290
  452    H    ARG  17           H        ARG  17  55.393   7.448 -10.882
  453    HA   ARG  17           HA       ARG  17  57.259   6.143  -9.232
  454    HB2  ARG  17           HB2      ARG  17  57.787   7.409 -11.244
  455    HB3  ARG  17           HB3      ARG  17  57.350   8.929 -10.445
  456    HG2  ARG  17           HG2      ARG  17  59.234   8.674  -8.884
  457    HG3  ARG  17           HG3      ARG  17  59.624   7.086  -9.578
  458    HD2  ARG  17           HD2      ARG  17  60.112   8.161 -11.762
  459    HD3  ARG  17           HD3      ARG  17  59.631   9.724 -11.107
  460    HE   ARG  17           HE       ARG  17  61.629   9.915  -9.948
  461   HH11  ARG  17          HH11      ARG  17  63.206   6.375 -10.917
  462   HH12  ARG  17          HH12      ARG  17  61.521   6.649 -11.287
  463   HH21  ARG  17          HH21      ARG  17  63.747   9.471  -9.516
  464   HH22  ARG  17          HH22      ARG  17  64.427   7.927  -9.935
  465    H    HIS  18           H        HIS  18  55.251   8.899  -8.335
  466    HA   HIS  18           HA       HIS  18  56.072   8.529  -5.526
  467    HB2  HIS  18           HB2      HIS  18  56.363  10.979  -5.209
  468    HB3  HIS  18           HB3      HIS  18  57.637  10.184  -6.124
  469    HD2  HIS  18           HD2      HIS  18  55.162  13.022  -6.329
  470    HE1  HIS  18           HE1      HIS  18  56.923  12.788 -10.212
  471    HE2  HIS  18           HE2      HIS  18  55.449  14.187  -8.678
  472    H    ARG  19           H        ARG  19  54.352   8.407  -4.304
  473    HA   ARG  19           HA       ARG  19  52.300  10.370  -4.098
  Start of MODEL    7
    1    H    SER1503           H        SER1503  40.921   2.462  -2.583
    2    HA   SER1503           HA       SER1503  42.099   2.200  -4.558
    3    HB2  SER1503           HB2      SER1503  39.920   2.928  -5.555
    4    HB3  SER1503           HB3      SER1503  40.483   4.611  -5.482
    5    HG   SER1503           HG       SER1503  40.887   3.767  -7.543
    6    H    LEU1504           H        LEU1504  42.077   5.350  -3.106
    7    HA   LEU1504           HA       LEU1504  44.932   5.775  -3.572
    8    HB2  LEU1504           HB2      LEU1504  43.456   6.779  -5.549
    9    HB3  LEU1504           HB3      LEU1504  43.022   7.998  -4.363
   10    HG   LEU1504           HG       LEU1504  45.566   8.433  -4.112
   11   HD11  LEU1504          HD11      LEU1504  46.964   7.788  -6.045
   12   HD12  LEU1504          HD12      LEU1504  45.620   6.849  -6.718
   13   HD13  LEU1504          HD13      LEU1504  46.387   6.334  -5.216
   14   HD21  LEU1504          HD21      LEU1504  45.636   9.804  -6.171
   15   HD22  LEU1504          HD22      LEU1504  44.083   9.952  -5.333
   16   HD23  LEU1504          HD23      LEU1504  44.207   8.941  -6.787
   17    H    VAL1505           H        VAL1505  45.644   7.787  -2.292
   18    HA   VAL1505           HA       VAL1505  45.966   8.826  -0.347
   19    HB   VAL1505           HB       VAL1505  42.946   9.090  -0.216
   20   HG11  VAL1505          HG11      VAL1505  43.895   9.888   1.863
   21   HG12  VAL1505          HG12      VAL1505  43.457  11.277   0.882
   22   HG13  VAL1505          HG13      VAL1505  45.161  10.786   0.990
   23   HG21  VAL1505          HG21      VAL1505  43.766   9.863  -2.407
   24   HG22  VAL1505          HG22      VAL1505  45.043  10.815  -1.622
   25   HG23  VAL1505          HG23      VAL1505  43.332  11.249  -1.413
   26    H    THR1506           H        THR1506  44.548   5.769  -0.177
   27    HA   THR1506           HA       THR1506  45.448   5.354   2.556
   28    HB   THR1506           HB       THR1506  42.600   4.741   1.655
   29    HG1  THR1506           HG1      THR1506  42.055   5.975   3.435
   30   HG21  THR1506          HG21      THR1506  42.894   2.806   2.809
   31   HG22  THR1506          HG22      THR1506  42.639   3.832   4.220
   32   HG23  THR1506          HG23      THR1506  44.279   3.382   3.732
   33    H    CYS1507           HN       CYS1507  46.610   3.634   2.441
   34    HA   CYS1507           HA       CYS1507  46.043   1.454   0.486
   35    HB2  CYS1507           HB2      CYS1507  48.279   2.514   0.437
   36    HB3  CYS1507           HB3      CYS1507  48.557   1.975   2.113
   37    HA   PRO1508           HA       PRO1508  44.309  -0.420   4.341
   38    HB2  PRO1508           HB2      PRO1508  43.527  -2.266   2.058
   39    HB3  PRO1508           HB3      PRO1508  42.625  -1.916   3.558
   40    HG2  PRO1508           HG2      PRO1508  41.945  -0.601   1.305
   41    HG3  PRO1508           HG3      PRO1508  42.222   0.383   2.781
   42    HD2  PRO1508           HD2      PRO1508  44.171  -0.228   0.521
   43    HD3  PRO1508           HD3      PRO1508  43.731   1.355   1.217
   44    H    ILE1509           H        ILE1509  46.577  -1.528   1.932
   45    HA   ILE1509           HA       ILE1509  47.222  -4.056   3.267
   46    HB   ILE1509           HB       ILE1509  49.035  -2.657   1.292
   47   HG12  ILE1509          HG12      ILE1509  46.877  -4.629   0.445
   48   HG13  ILE1509          HG13      ILE1509  46.614  -2.887   0.345
   49   HG21  ILE1509          HG21      ILE1509  48.498  -5.553   2.079
   50   HG22  ILE1509          HG22      ILE1509  49.943  -4.599   2.478
   51   HG23  ILE1509          HG23      ILE1509  49.633  -5.065   0.808
   52   HD11  ILE1509          HD11      ILE1509  47.306  -3.716  -1.809
   53   HD12  ILE1509          HD12      ILE1509  48.813  -4.360  -1.134
   54   HD13  ILE1509          HD13      ILE1509  48.524  -2.608  -1.152
   55    H    CYS1510           HN       CYS1510  48.546  -0.759   3.209
   56    HA   CYS1510           HA       CYS1510  50.600  -1.385   5.222
   57    HB2  CYS1510           HB2      CYS1510  49.965   1.075   3.535
   58    HB3  CYS1510           HB3      CYS1510  51.247   0.996   4.745
   59    H    HIS1511           H        HIS1511  47.383  -0.577   5.382
   60    HA   HIS1511           HA       HIS1511  45.931   0.322   6.842
   61    HB2  HIS1511           HB2      HIS1511  48.057   0.418   8.943
   62    HB3  HIS1511           HB3      HIS1511  46.316   0.377   9.176
   63    HD2  HIS1511           HD2      HIS1511  49.281  -1.898   8.889
   64    HE1  HIS1511           HE1      HIS1511  45.904  -4.488   8.542
   65    HE2  HIS1511           HE2      HIS1511  48.431  -4.396   8.858
   66    H    ALA1512           H        ALA1512  46.989   1.979   5.073
   67    HA   ALA1512           HA       ALA1512  46.792   4.053   4.400
   68    HB1  ALA1512           HB1      ALA1512  44.726   3.674   5.827
   69    HB2  ALA1512           HB2      ALA1512  45.100   5.326   5.287
   70    HB3  ALA1512           HB3      ALA1512  45.437   4.820   6.966
   71    HA   PRO1513           HA       PRO1513  49.984   6.598   6.874
   72    HB2  PRO1513           HB2      PRO1513  52.444   5.600   6.267
   73    HB3  PRO1513           HB3      PRO1513  51.517   5.064   7.700
   74    HG2  PRO1513           HG2      PRO1513  51.683   3.706   4.989
   75    HG3  PRO1513           HG3      PRO1513  51.912   2.974   6.613
   76    HD2  PRO1513           HD2      PRO1513  49.531   2.837   5.311
   77    HD3  PRO1513           HD3      PRO1513  49.612   3.055   7.089
   78    H    TYR1514           H        TYR1514  49.816   4.970   3.806
   79    HA   TYR1514           HA       TYR1514  50.045   5.465   1.683
   80    HB2  TYR1514           HB2      TYR1514  48.265   7.087   2.392
   81    HB3  TYR1514           HB3      TYR1514  49.483   8.351   2.390
   82    HD1  TYR1514           HD1      TYR1514  48.510   5.498   0.067
   83    HD2  TYR1514           HD2      TYR1514  49.310   9.723   0.483
   84    HE1  TYR1514           HE1      TYR1514  48.446   5.743  -2.396
   85    HE2  TYR1514           HE2      TYR1514  49.140   9.983  -1.988
   86    HH   TYR1514           HH       TYR1514  48.637   7.201  -4.186
   87    H    VAL1515           H        VAL1515  51.097   7.617   0.171
   88    HA   VAL1515           HA       VAL1515  53.651   6.468  -0.145
   89    HB   VAL1515           HB       VAL1515  52.211   7.423  -1.917
   90   HG11  VAL1515          HG11      VAL1515  52.253   9.746  -2.515
   91   HG12  VAL1515          HG12      VAL1515  53.397  10.141  -1.217
   92   HG13  VAL1515          HG13      VAL1515  51.737   9.664  -0.826
   93   HG21  VAL1515          HG21      VAL1515  55.047   8.518  -1.979
   94   HG22  VAL1515          HG22      VAL1515  54.009   8.144  -3.357
   95   HG23  VAL1515          HG23      VAL1515  54.588   6.830  -2.332
   96    H    GLU1516           H        GLU1516  55.679   6.956   0.313
   97    HA   GLU1516           HA       GLU1516  56.457   9.653   1.286
   98    HB2  GLU1516           HB2      GLU1516  56.165   8.174   3.247
   99    HB3  GLU1516           HB3      GLU1516  57.340   7.039   2.570
  100    HG2  GLU1516           HG2      GLU1516  59.108   8.738   2.719
  101    HG3  GLU1516           HG3      GLU1516  57.927   9.970   3.169
  102    H    GLU1517           H        GLU1517  56.948   9.883  -0.949
  103    HA   GLU1517           HA       GLU1517  58.045   9.794  -2.891
  104    HB2  GLU1517           HB2      GLU1517  60.492   9.096  -1.242
  105    HB3  GLU1517           HB3      GLU1517  60.466   9.699  -2.890
  106    HG2  GLU1517           HG2      GLU1517  60.885  11.627  -1.748
  107    HG3  GLU1517           HG3      GLU1517  59.152  11.732  -2.002
  108    H    ASP1518           H        ASP1518  57.147   7.017  -1.698
  109    HA   ASP1518           HA       ASP1518  58.689   5.096  -3.152
  110    HB2  ASP1518           HB2      ASP1518  57.148   4.856  -1.024
  111    HB3  ASP1518           HB3      ASP1518  55.859   4.618  -2.183
  112    H    LEU1519           H        LEU1519  57.805   3.518  -4.628
  113    HA   LEU1519           HA       LEU1519  56.374   4.638  -6.964
  114    HB2  LEU1519           HB2      LEU1519  57.793   2.046  -6.286
  115    HB3  LEU1519           HB3      LEU1519  56.640   2.070  -7.620
  116    HG   LEU1519           HG       LEU1519  59.089   3.866  -7.474
  117   HD11  LEU1519          HD11      LEU1519  60.030   2.336  -9.125
  118   HD12  LEU1519          HD12      LEU1519  58.544   1.350  -9.110
  119   HD13  LEU1519          HD13      LEU1519  59.596   1.403  -7.677
  120   HD21  LEU1519          HD21      LEU1519  57.329   4.796  -8.925
  121   HD22  LEU1519          HD22      LEU1519  57.071   3.216  -9.683
  122   HD23  LEU1519          HD23      LEU1519  58.596   4.103  -9.940
  123    H    LEU1520           H        LEU1520  54.433   3.921  -7.695
  124    HA   LEU1520           HA       LEU1520  52.883   1.936  -6.163
  125    HB2  LEU1520           HB2      LEU1520  51.680   4.563  -7.148
  126    HB3  LEU1520           HB3      LEU1520  50.833   3.228  -6.384
  127    HG   LEU1520           HG       LEU1520  52.655   3.729  -4.423
  128   HD11  LEU1520          HD11      LEU1520  53.632   5.692  -5.632
  129   HD12  LEU1520          HD12      LEU1520  52.854   6.147  -4.114
  130   HD13  LEU1520          HD13      LEU1520  52.018   6.450  -5.653
  131   HD21  LEU1520          HD21      LEU1520  50.911   5.040  -3.293
  132   HD22  LEU1520          HD22      LEU1520  50.247   3.596  -4.081
  133   HD23  LEU1520          HD23      LEU1520  50.029   5.195  -4.839
  134    H    ILE1521           H        ILE1521  51.178   0.961  -7.387
  135    HA   ILE1521           HA       ILE1521  51.291   1.094 -10.308
  136    HB   ILE1521           HB       ILE1521  53.070  -0.294 -10.182
  137   HG12  ILE1521          HG12      ILE1521  50.958  -2.464  -9.996
  138   HG13  ILE1521          HG13      ILE1521  51.129  -1.401 -11.397
  139   HG21  ILE1521          HG21      ILE1521  53.427  -0.586  -7.842
  140   HG22  ILE1521          HG22      ILE1521  53.381  -2.194  -8.519
  141   HG23  ILE1521          HG23      ILE1521  51.954  -1.581  -7.664
  142   HD11  ILE1521          HD11      ILE1521  53.439  -2.153 -11.757
  143   HD12  ILE1521          HD12      ILE1521  52.272  -3.484 -11.838
  144   HD13  ILE1521          HD13      ILE1521  53.289  -3.289 -10.398
  145    H    GLN1522           H        GLN1522  49.474   0.121 -11.302
  146    HA   GLN1522           HA       GLN1522  47.278  -0.563  -9.392
  147    HB2  GLN1522           HB2      GLN1522  45.698   0.431 -10.947
  148    HB3  GLN1522           HB3      GLN1522  46.801   1.606 -10.257
  149    HG2  GLN1522           HG2      GLN1522  48.021   1.811 -12.321
  150    HG3  GLN1522           HG3      GLN1522  47.252   0.375 -12.998
  151   HE21  GLN1522          HE21      GLN1522  44.831   2.327 -11.398
  152   HE22  GLN1522          HE22      GLN1522  44.315   3.135 -12.869
  153    H    CYS1523           HN       CYS1523  45.684  -1.933  -9.923
  154    HA   CYS1523           HA       CYS1523  46.221  -4.180 -11.631
  155    HB2  CYS1523           HB2      CYS1523  45.012  -4.343  -9.537
  156    HB3  CYS1523           HB3      CYS1523  43.843  -3.136 -10.057
  157    H    ARG1524           H        ARG1524  45.483  -4.641 -13.671
  158    HA   ARG1524           HA       ARG1524  44.403  -2.437 -15.316
  159    HB2  ARG1524           HB2      ARG1524  44.532  -3.964 -17.198
  160    HB3  ARG1524           HB3      ARG1524  46.044  -3.978 -16.286
  161    HG2  ARG1524           HG2      ARG1524  45.385  -6.080 -15.201
  162    HG3  ARG1524           HG3      ARG1524  43.839  -6.091 -16.054
  163    HD2  ARG1524           HD2      ARG1524  44.889  -6.495 -18.149
  164    HD3  ARG1524           HD3      ARG1524  46.495  -6.080 -17.514
  165    HE   ARG1524           HE       ARG1524  45.437  -8.198 -15.934
  166   HH11  ARG1524          HH11      ARG1524  46.560  -7.893 -19.261
  167   HH12  ARG1524          HH12      ARG1524  47.202  -9.509 -19.266
  168   HH21  ARG1524          HH21      ARG1524  46.328 -10.105 -15.961
  169   HH22  ARG1524          HH22      ARG1524  47.031 -10.791 -17.422
  170    H    HIS1525           H        HIS1525  42.962  -4.983 -13.460
  171    HA   HIS1525           HA       HIS1525  40.526  -5.109 -15.102
  172    HB2  HIS1525           HB2      HIS1525  41.600  -7.109 -13.984
  173    HB3  HIS1525           HB3      HIS1525  41.059  -6.448 -12.436
  174    HD2  HIS1525           HD2      HIS1525  38.515  -6.815 -11.800
  175    HE1  HIS1525           HE1      HIS1525  37.140  -8.532 -15.455
  176    HE2  HIS1525           HE2      HIS1525  36.497  -7.948 -13.060
  177    H    CYS1526           HN       CYS1526  41.330  -3.962 -11.774
  178    HA   CYS1526           HA       CYS1526  38.712  -2.567 -11.695
  179    HB2  CYS1526           HB2      CYS1526  38.633  -2.992  -9.405
  180    HB3  CYS1526           HB3      CYS1526  39.142  -4.513 -10.146
  181    H    GLU1527           H        GLU1527  41.919  -1.752 -12.117
  182    HA   GLU1527           HA       GLU1527  43.090   0.121 -12.145
  183    HB2  GLU1527           HB2      GLU1527  42.164   1.928 -12.933
  184    HB3  GLU1527           HB3      GLU1527  40.722   0.932 -13.007
  185    HG2  GLU1527           HG2      GLU1527  40.215   1.944 -10.622
  186    HG3  GLU1527           HG3      GLU1527  41.431   3.129 -11.048
  187    H    ARG1528           H        ARG1528  41.850  -0.835  -9.224
  188    HA   ARG1528           HA       ARG1528  42.647   1.305  -7.485
  189    HB2  ARG1528           HB2      ARG1528  42.336  -1.690  -7.088
  190    HB3  ARG1528           HB3      ARG1528  42.978  -0.670  -5.814
  191    HG2  ARG1528           HG2      ARG1528  40.590  -1.104  -5.513
  192    HG3  ARG1528           HG3      ARG1528  40.957   0.610  -5.641
  193    HD2  ARG1528           HD2      ARG1528  40.152   0.651  -7.962
  194    HD3  ARG1528           HD3      ARG1528  39.837  -1.095  -7.889
  195    HE   ARG1528           HE       ARG1528  38.422   0.092  -5.756
  196   HH11  ARG1528          HH11      ARG1528  38.303   0.113  -9.259
  197   HH12  ARG1528          HH12      ARG1528  36.605   0.535  -9.292
  198   HH21  ARG1528          HH21      ARG1528  35.472   0.777  -7.411
  199   HH22  ARG1528          HH22      ARG1528  36.250   0.612  -5.866
  200    H    TRP1529           H        TRP1529  44.489   1.840  -6.482
  201    HA   TRP1529           HA       TRP1529  47.022   0.816  -7.589
  202    HB2  TRP1529           HB2      TRP1529  46.381   3.249  -5.882
  203    HB3  TRP1529           HB3      TRP1529  47.967   2.832  -6.490
  204    HD1  TRP1529           HD1      TRP1529  44.522   3.935  -7.817
  205    HE1  TRP1529           HE1      TRP1529  44.814   5.028 -10.118
  206    HE3  TRP1529           HE3      TRP1529  49.495   2.984  -8.520
  207    HZ2  TRP1529           HZ2      TRP1529  46.917   5.331 -12.074
  208    HZ3  TRP1529           HZ3      TRP1529  50.599   3.596 -10.667
  209    HH2  TRP1529           HH2      TRP1529  49.329   4.793 -12.430
  210    H    MET1530           H        MET1530  48.763   0.191  -6.414
  211    HA   MET1530           HA       MET1530  48.651  -0.114  -3.456
  212    HB2  MET1530           HB2      MET1530  49.966  -2.190  -5.250
  213    HB3  MET1530           HB3      MET1530  49.563  -2.288  -3.542
  214    HG2  MET1530           HG2      MET1530  47.993  -3.676  -4.487
  215    HG3  MET1530           HG3      MET1530  47.088  -2.174  -4.350
  216    HE1  MET1530           HE1      MET1530  45.244  -2.521  -6.038
  217    HE2  MET1530           HE2      MET1530  45.745  -4.230  -6.045
  218    HE3  MET1530           HE3      MET1530  45.440  -3.380  -7.579
  219    H    HIS1531           H        HIS1531  50.869  -0.069  -2.498
  220    HA   HIS1531           HA       HIS1531  52.821   1.450  -4.063
  221    HB2  HIS1531           HB2      HIS1531  53.353   0.027  -1.450
  222    HB3  HIS1531           HB3      HIS1531  54.274   1.312  -2.191
  223    HD2  HIS1531           HD2      HIS1531  53.238   3.834  -2.101
  224    HE1  HIS1531           HE1      HIS1531  50.511   2.982   1.059
  225    HE2  HIS1531           HE2      HIS1531  51.621   4.845  -0.309
  226    H    ALA1532           H        ALA1532  54.877   0.665  -4.790
  227    HA   ALA1532           HA       ALA1532  54.974  -2.047  -5.766
  228    HB1  ALA1532           HB1      ALA1532  57.175   0.022  -5.346
  229    HB2  ALA1532           HB2      ALA1532  56.179  -0.183  -6.814
  230    HB3  ALA1532           HB3      ALA1532  57.319  -1.448  -6.318
  231    H    GLY1533           H        GLY1533  56.105  -0.545  -2.730
  232    HA2  GLY1533           HA2      GLY1533  57.731  -2.674  -1.774
  233    HA3  GLY1533           HA3      GLY1533  56.987  -1.404  -0.806
  234    H    CYS1534           HN       CYS1534  54.195  -2.017  -1.081
  235    HA   CYS1534           HA       CYS1534  54.004  -4.338   0.622
  236    HB2  CYS1534           HB2      CYS1534  51.564  -3.924   0.557
  237    HB3  CYS1534           HB3      CYS1534  52.559  -2.659   1.228
  238    H    GLU1535           H        GLU1535  53.683  -3.929  -2.796
  239    HA   GLU1535           HA       GLU1535  52.913  -6.763  -3.129
  240    HB2  GLU1535           HB2      GLU1535  53.466  -4.528  -5.108
  241    HB3  GLU1535           HB3      GLU1535  53.023  -6.165  -5.588
  242    HG2  GLU1535           HG2      GLU1535  51.351  -4.313  -3.822
  243    HG3  GLU1535           HG3      GLU1535  51.068  -4.643  -5.497
  244    H    SER1536           H        SER1536  55.703  -5.535  -2.148
  245    HA   SER1536           HA       SER1536  57.826  -6.207  -2.073
  246    HB2  SER1536           HB2      SER1536  56.538  -8.198  -1.272
  247    HB3  SER1536           HB3      SER1536  56.782  -8.936  -2.864
  248    HG   SER1536           HG       SER1536  59.036  -8.839  -2.493
  249    H    LEU1537           H        LEU1537  57.114  -5.070  -4.634
  250    HA   LEU1537           HA       LEU1537  58.664  -6.499  -6.678
  251    HB2  LEU1537           HB2      LEU1537  57.422  -3.734  -6.702
  252    HB3  LEU1537           HB3      LEU1537  58.097  -4.572  -8.096
  253    HG   LEU1537           HG       LEU1537  55.683  -5.515  -6.476
  254   HD11  LEU1537          HD11      LEU1537  54.342  -4.882  -8.390
  255   HD12  LEU1537          HD12      LEU1537  55.779  -4.301  -9.250
  256   HD13  LEU1537          HD13      LEU1537  55.225  -3.475  -7.770
  257   HD21  LEU1537          HD21      LEU1537  56.849  -6.575  -9.086
  258   HD22  LEU1537          HD22      LEU1537  55.307  -7.082  -8.366
  259   HD23  LEU1537          HD23      LEU1537  56.817  -7.426  -7.529
  260    H    PHE1538           H        PHE1538  60.745  -6.206  -7.189
  261    HA   PHE1538           HA       PHE1538  62.399  -5.074  -5.129
  262    HB2  PHE1538           HB2      PHE1538  63.133  -6.288  -7.818
  263    HB3  PHE1538           HB3      PHE1538  64.266  -5.934  -6.512
  264    HD1  PHE1538           HD1      PHE1538  64.027  -7.010  -4.260
  265    HD2  PHE1538           HD2      PHE1538  61.984  -8.429  -7.786
  266    HE1  PHE1538           HE1      PHE1538  63.740  -9.218  -3.201
  267    HE2  PHE1538           HE2      PHE1538  61.687 -10.643  -6.714
  268    HZ   PHE1538           HZ       PHE1538  62.571 -11.056  -4.421
  269    H    THR1539           H        THR1539  61.638  -3.785  -8.367
  270    HA   THR1539           HA       THR1539  63.059  -1.288  -7.845
  271    HB   THR1539           HB       THR1539  64.948  -2.808  -8.384
  272    HG1  THR1539           HG1      THR1539  65.381  -0.791  -9.019
  273   HG21  THR1539          HG21      THR1539  63.827  -4.407  -9.905
  274   HG22  THR1539          HG22      THR1539  65.267  -3.691 -10.639
  275   HG23  THR1539          HG23      THR1539  63.659  -3.125 -11.123
  276    H    GLU1540           H        GLU1540  63.021   0.164  -9.854
  277    HA   GLU1540           HA       GLU1540  60.339   0.433 -10.761
  278    HB2  GLU1540           HB2      GLU1540  61.968   2.263 -10.582
  279    HB3  GLU1540           HB3      GLU1540  62.907   1.589 -11.922
  280    HG2  GLU1540           HG2      GLU1540  61.028   1.937 -13.470
  281    HG3  GLU1540           HG3      GLU1540  60.008   2.502 -12.146
  282    H    ASP1541           H        ASP1541  63.126  -1.126 -12.398
  283    HA   ASP1541           HA       ASP1541  61.736  -1.675 -14.864
  284    HB2  ASP1541           HB2      ASP1541  64.018  -3.195 -13.555
  285    HB3  ASP1541           HB3      ASP1541  63.461  -3.408 -15.211
  286    H    ASP1542           H        ASP1542  61.733  -3.387 -11.748
  287    HA   ASP1542           HA       ASP1542  60.410  -5.786 -12.763
  288    HB2  ASP1542           HB2      ASP1542  61.904  -5.720 -10.748
  289    HB3  ASP1542           HB3      ASP1542  60.702  -4.732  -9.923
  290    H    VAL1543           H        VAL1543  59.434  -2.749 -11.140
  291    HA   VAL1543           HA       VAL1543  56.591  -3.294 -11.078
  292    HB   VAL1543           HB       VAL1543  58.076  -0.638 -11.177
  293   HG11  VAL1543          HG11      VAL1543  55.205  -1.261 -10.374
  294   HG12  VAL1543          HG12      VAL1543  55.689  -0.356 -11.821
  295   HG13  VAL1543          HG13      VAL1543  55.998   0.319 -10.214
  296   HG21  VAL1543          HG21      VAL1543  58.656  -1.973  -9.163
  297   HG22  VAL1543          HG22      VAL1543  56.931  -2.232  -8.840
  298   HG23  VAL1543          HG23      VAL1543  57.623  -0.613  -8.727
  299    H    GLU1544           H        GLU1544  58.657  -1.645 -13.529
  300    HA   GLU1544           HA       GLU1544  56.574  -1.156 -15.408
  301    HB2  GLU1544           HB2      GLU1544  58.798  -0.111 -15.534
  302    HB3  GLU1544           HB3      GLU1544  59.544  -1.684 -15.778
  303    HG2  GLU1544           HG2      GLU1544  59.442  -0.458 -17.862
  304    HG3  GLU1544           HG3      GLU1544  58.511  -1.944 -17.945
  305    H    GLN1545           H        GLN1545  58.604  -4.076 -14.884
  306    HA   GLN1545           HA       GLN1545  57.496  -5.591 -17.064
  307    HB2  GLN1545           HB2      GLN1545  59.298  -6.100 -14.817
  308    HB3  GLN1545           HB3      GLN1545  58.098  -7.367 -14.890
  309    HG2  GLN1545           HG2      GLN1545  60.067  -7.958 -16.194
  310    HG3  GLN1545           HG3      GLN1545  58.626  -7.858 -17.209
  311   HE21  GLN1545          HE21      GLN1545  60.235  -4.837 -16.207
  312   HE22  GLN1545          HE22      GLN1545  60.916  -4.520 -17.805
  313    H    ALA1546           H        ALA1546  56.525  -5.363 -13.580
  314    HA   ALA1546           HA       ALA1546  54.396  -7.171 -13.874
  315    HB1  ALA1546           HB1      ALA1546  53.605  -6.226 -11.700
  316    HB2  ALA1546           HB2      ALA1546  54.735  -4.866 -11.889
  317    HB3  ALA1546           HB3      ALA1546  55.355  -6.520 -11.695
  318    H    ALA1547           H        ALA1547  54.503  -3.682 -14.465
  319    HA   ALA1547           HA       ALA1547  51.691  -3.264 -14.930
  320    HB1  ALA1547           HB1      ALA1547  54.175  -1.782 -15.893
  321    HB2  ALA1547           HB2      ALA1547  53.280  -1.455 -14.389
  322    HB3  ALA1547           HB3      ALA1547  52.517  -1.165 -15.973
  323    H    ASP1548           H        ASP1548  54.452  -3.791 -17.221
  324    HA   ASP1548           HA       ASP1548  52.875  -3.795 -19.599
  325    HB2  ASP1548           HB2      ASP1548  55.340  -3.447 -19.466
  326    HB3  ASP1548           HB3      ASP1548  55.548  -5.135 -19.013
  327    H    GLU1549           H        GLU1549  53.733  -6.402 -17.357
  328    HA   GLU1549           HA       GLU1549  52.520  -8.552 -18.961
  329    HB2  GLU1549           HB2      GLU1549  53.404  -8.367 -16.061
  330    HB3  GLU1549           HB3      GLU1549  52.723  -9.828 -16.747
  331    HG2  GLU1549           HG2      GLU1549  55.168  -8.540 -18.022
  332    HG3  GLU1549           HG3      GLU1549  55.296  -9.557 -16.587
  333    H    GLY1550           H        GLY1550  51.255  -6.081 -16.954
  334    HA2  GLY1550           HA2      GLY1550  49.071  -5.529 -16.442
  335    HA3  GLY1550           HA3      GLY1550  48.515  -7.064 -17.095
  336    H    PHE1551           H        PHE1551  49.285  -5.316 -14.235
  337    HA   PHE1551           HA       PHE1551  49.397  -7.543 -12.378
  338    HB2  PHE1551           HB2      PHE1551  50.304  -5.256 -11.939
  339    HB3  PHE1551           HB3      PHE1551  48.655  -4.632 -11.912
  340    HD1  PHE1551           HD1      PHE1551  51.273  -6.316 -10.020
  341    HD2  PHE1551           HD2      PHE1551  47.051  -5.420 -10.084
  342    HE1  PHE1551           HE1      PHE1551  51.105  -6.858  -7.596
  343    HE2  PHE1551           HE2      PHE1551  46.887  -5.987  -7.683
  344    HZ   PHE1551           HZ       PHE1551  48.911  -6.699  -6.436
  345    H    ASP1552           H        ASP1552  47.710  -8.524 -11.245
  346    HA   ASP1552           HA       ASP1552  44.994  -7.397 -11.354
  347    HB2  ASP1552           HB2      ASP1552  45.360 -10.339 -11.799
  348    HB3  ASP1552           HB3      ASP1552  43.886  -9.410 -11.918
  349    H    CYS1553           HN       CYS1553  43.954  -7.588  -9.418
  350    HA   CYS1553           HA       CYS1553  45.140  -8.520  -7.060
  351    HB2  CYS1553           HB2      CYS1553  42.192  -8.169  -7.728
  352    HB3  CYS1553           HB3      CYS1553  42.916  -8.131  -6.124
  353    H    VAL1554           H        VAL1554  44.259 -10.171  -5.576
  354    HA   VAL1554           HA       VAL1554  44.387 -12.810  -6.596
  355    HB   VAL1554           HB       VAL1554  43.267 -11.805  -3.949
  356   HG11  VAL1554          HG11      VAL1554  43.814 -14.072  -3.066
  357   HG12  VAL1554          HG12      VAL1554  44.140 -14.623  -4.724
  358   HG13  VAL1554          HG13      VAL1554  42.506 -14.110  -4.245
  359   HG21  VAL1554          HG21      VAL1554  45.499 -12.419  -3.063
  360   HG22  VAL1554          HG22      VAL1554  45.645 -11.184  -4.312
  361   HG23  VAL1554          HG23      VAL1554  46.033 -12.871  -4.698
  362    H    SER1555           H        SER1555  41.512 -10.787  -6.094
  363    HA   SER1555           HA       SER1555  39.664 -12.965  -6.902
  364    HB2  SER1555           HB2      SER1555  37.927 -11.249  -6.475
  365    HB3  SER1555           HB3      SER1555  38.934 -11.613  -5.064
  366    HG   SER1555           HG       SER1555  38.654  -9.338  -5.345
  367    H    CYS1556           HN       CYS1556  41.155 -10.034  -8.247
  368    HA   CYS1556           HA       CYS1556  39.494  -9.799 -10.574
  369    HB2  CYS1556           HB2      CYS1556  42.250  -8.837  -9.781
  370    HB3  CYS1556           HB3      CYS1556  41.556  -8.493 -11.364
  371    H    GLN1557           H        GLN1557  42.295 -11.793  -9.732
  372    HA   GLN1557           HA       GLN1557  42.851 -12.819 -12.291
  373    HB2  GLN1557           HB2      GLN1557  43.377 -13.828  -9.514
  374    HB3  GLN1557           HB3      GLN1557  43.750 -14.831 -10.934
  375    HG2  GLN1557           HG2      GLN1557  45.124 -13.033 -11.893
  376    HG3  GLN1557           HG3      GLN1557  44.625 -11.944 -10.601
  377   HE21  GLN1557          HE21      GLN1557  46.557 -11.470  -9.610
  378   HE22  GLN1557          HE22      GLN1557  47.620 -12.735  -9.016
  379    HA   PRO1558           HA       PRO1558  39.570 -16.396 -11.663
  380    HB2  PRO1558           HB2      PRO1558  37.896 -14.862  -9.653
  381    HB3  PRO1558           HB3      PRO1558  37.928 -16.630  -9.965
  382    HG2  PRO1558           HG2      PRO1558  39.331 -15.586  -7.897
  383    HG3  PRO1558           HG3      PRO1558  40.075 -16.842  -8.945
  384    HD2  PRO1558           HD2      PRO1558  40.569 -13.877  -8.933
  385    HD3  PRO1558           HD3      PRO1558  41.687 -15.218  -9.221
  386    H    TYR1559           H        TYR1559  38.633 -12.896 -11.353
  387    HA   TYR1559           HA       TYR1559  36.456 -13.119 -13.228
  388    HB2  TYR1559           HB2      TYR1559  38.018 -10.620 -12.553
  389    HB3  TYR1559           HB3      TYR1559  36.378 -10.726 -13.177
  390    HD1  TYR1559           HD1      TYR1559  35.627 -13.125 -11.128
  391    HD2  TYR1559           HD2      TYR1559  37.299  -9.159 -10.771
  392    HE1  TYR1559           HE1      TYR1559  34.850 -13.004  -8.789
  393    HE2  TYR1559           HE2      TYR1559  36.471  -9.019  -8.441
  394    HH   TYR1559           HH       TYR1559  35.269 -10.075  -6.761
  395    H    VAL1560           H        VAL1560  39.804 -11.908 -13.744
  396    HA   VAL1560           HA       VAL1560  39.395 -11.463 -16.555
  397    HB   VAL1560           HB       VAL1560  40.906 -10.173 -14.982
  398   HG11  VAL1560          HG11      VAL1560  42.138 -12.218 -14.123
  399   HG12  VAL1560          HG12      VAL1560  43.169 -10.886 -14.624
  400   HG13  VAL1560          HG13      VAL1560  42.980 -12.301 -15.673
  401   HG21  VAL1560          HG21      VAL1560  42.525  -9.611 -16.728
  402   HG22  VAL1560          HG22      VAL1560  40.906  -9.806 -17.414
  403   HG23  VAL1560          HG23      VAL1560  42.119 -11.088 -17.624
  404    H    VAL1561           H        VAL1561  40.910 -14.158 -14.797
  405    HA   VAL1561           HA       VAL1561  41.774 -15.503 -17.285
  406    HB   VAL1561           HB       VAL1561  41.961 -16.537 -14.427
  407   HG11  VAL1561          HG11      VAL1561  42.248 -18.257 -16.227
  408   HG12  VAL1561          HG12      VAL1561  43.753 -17.956 -15.358
  409   HG13  VAL1561          HG13      VAL1561  43.509 -17.247 -16.967
  410   HG21  VAL1561          HG21      VAL1561  44.043 -14.962 -16.007
  411   HG22  VAL1561          HG22      VAL1561  44.353 -15.839 -14.492
  412   HG23  VAL1561          HG23      VAL1561  43.262 -14.465 -14.491
  413    H    LYS1562           H        LYS1562  39.380 -15.085 -17.741
  414    HA   LYS1562           HA       LYS1562  37.309 -16.327 -16.361
  415    HB2  LYS1562           HB2      LYS1562  37.126 -14.431 -17.965
  416    HB3  LYS1562           HB3      LYS1562  37.364 -15.552 -19.315
  417    HG2  LYS1562           HG2      LYS1562  35.272 -16.753 -18.676
  418    HG3  LYS1562           HG3      LYS1562  35.074 -15.656 -17.290
  419    HD2  LYS1562           HD2      LYS1562  34.861 -13.725 -18.841
  420    HD3  LYS1562           HD3      LYS1562  35.156 -14.792 -20.219
  421    HE2  LYS1562           HE2      LYS1562  32.817 -14.420 -20.148
  422    HE3  LYS1562           HE3      LYS1562  33.095 -16.088 -19.650
  423    HZ1  LYS1562           HZ1      LYS1562  31.474 -14.953 -18.218
  424    HZ2  LYS1562           HZ2      LYS1562  32.560 -13.814 -17.795
  425    HZ3  LYS1562           HZ3      LYS1562  32.768 -15.372 -17.332
  426    HA   LYS  12           HA       LYS  12  51.656   6.654 -16.202
  427    H    GLY  13           H        GLY  13  48.373   5.688 -17.606
  428    HA2  GLY  13           HA2      GLY  13  49.688   3.847 -18.012
  429    HA3  GLY  13           HA3      GLY  13  51.063   4.621 -17.235
  430    H    GLY  14           H        GLY  14  50.898   2.039 -16.820
  431    HA2  GLY  14           HA2      GLY  14  49.242   1.147 -14.628
  432    HA3  GLY  14           HA3      GLY  14  50.635   0.304 -15.314
  433    H    ALA  15           H        ALA  15  52.213   2.944 -14.560
  434    HA   ALA  15           HA       ALA  15  52.586   2.345 -11.672
  435    HB1  ALA  15           HB1      ALA  15  54.797   2.519 -13.741
  436    HB2  ALA  15           HB2      ALA  15  54.181   1.024 -12.998
  437    HB3  ALA  15           HB3      ALA  15  54.999   2.242 -11.997
  438   HH31  ALY  16           H26      ALY  16  45.217   8.265 -10.527
  439   HH32  ALY  16           H27      ALY  16  45.068   9.386  -9.154
  440   HH33  ALY  16           H28      ALY  16  45.504   7.683  -8.873
  441    HZ   ALY  16           HZ1      ALY  16  47.481   6.950 -10.066
  442    HE3  ALY  16           HE3      ALY  16  49.537   7.267 -11.090
  443    HE2  ALY  16           HE2      ALY  16  49.514   8.993 -10.725
  444    HD3  ALY  16           HD3      ALY  16  50.047   8.600  -8.392
  445    HD2  ALY  16           HD2      ALY  16  49.856   6.851  -8.559
  446    HG3  ALY  16           HG3      ALY  16  51.960   8.446 -10.100
  447    HG2  ALY  16           HG2      ALY  16  52.244   7.720  -8.507
  448    HB3  ALY  16           HB3      ALY  16  51.740   5.493  -9.364
  449    HB2  ALY  16           HB2      ALY  16  51.325   6.142 -10.941
  450    HA   ALY  16           HA       ALY  16  53.644   6.752 -11.390
  451    H    ALY  16           H        ALY  16  53.597   3.926 -10.428
  452    H    ARG  17           H        ARG  17  54.609   8.224  -9.807
  453    HA   ARG  17           HA       ARG  17  55.656   7.035  -7.288
  454    HB2  ARG  17           HB2      ARG  17  57.490   7.076  -9.057
  455    HB3  ARG  17           HB3      ARG  17  57.360   8.828  -9.062
  456    HG2  ARG  17           HG2      ARG  17  57.963   8.882  -6.658
  457    HG3  ARG  17           HG3      ARG  17  58.047   7.125  -6.612
  458    HD2  ARG  17           HD2      ARG  17  59.773   8.713  -8.539
  459    HD3  ARG  17           HD3      ARG  17  60.202   8.588  -6.842
  460    HE   ARG  17           HE       ARG  17  60.533   6.276  -6.979
  461   HH11  ARG  17          HH11      ARG  17  59.966   7.559 -10.246
  462   HH12  ARG  17          HH12      ARG  17  60.822   6.180 -10.936
  463   HH21  ARG  17          HH21      ARG  17  61.697   4.681  -8.092
  464   HH22  ARG  17          HH22      ARG  17  61.680   4.739  -9.854
  465    H    HIS  18           H        HIS  18  55.920   8.546  -5.583
  466    HA   HIS  18           HA       HIS  18  55.268  10.255  -4.239
  467    HB2  HIS  18           HB2      HIS  18  55.207  12.098  -6.629
  468    HB3  HIS  18           HB3      HIS  18  55.480  12.505  -4.944
  469    HD2  HIS  18           HD2      HIS  18  57.347  12.016  -8.049
  470    HE1  HIS  18           HE1      HIS  18  60.240  11.254  -5.004
  471    HE2  HIS  18           HE2      HIS  18  59.909  11.748  -7.483
  472    H    ARG  19           H        ARG  19  53.101   8.695  -5.761
  473    HA   ARG  19           HA       ARG  19  50.793   9.828  -4.511
  Start of MODEL    8
    1    H    SER1503           H        SER1503  42.615   2.011  -4.391
    2    HA   SER1503           HA       SER1503  41.360   3.791  -6.148
    3    HB2  SER1503           HB2      SER1503  41.578   3.914  -3.114
    4    HB3  SER1503           HB3      SER1503  40.346   4.746  -4.084
    5    HG   SER1503           HG       SER1503  39.781   2.595  -3.148
    6    H    LEU1504           H        LEU1504  44.401   4.186  -4.865
    7    HA   LEU1504           HA       LEU1504  45.950   5.797  -4.692
    8    HB2  LEU1504           HB2      LEU1504  44.842   6.512  -6.987
    9    HB3  LEU1504           HB3      LEU1504  44.234   7.862  -6.041
   10    HG   LEU1504           HG       LEU1504  46.717   8.280  -5.386
   11   HD11  LEU1504          HD11      LEU1504  47.576   6.041  -6.223
   12   HD12  LEU1504          HD12      LEU1504  48.405   7.438  -6.911
   13   HD13  LEU1504          HD13      LEU1504  47.187   6.570  -7.869
   14   HD21  LEU1504          HD21      LEU1504  47.132   9.542  -7.426
   15   HD22  LEU1504          HD22      LEU1504  45.434   9.687  -6.954
   16   HD23  LEU1504          HD23      LEU1504  45.888   8.609  -8.291
   17    H    VAL1505           H        VAL1505  46.465   7.891  -3.606
   18    HA   VAL1505           HA       VAL1505  46.727   8.784  -1.610
   19    HB   VAL1505           HB       VAL1505  45.250  10.494  -0.998
   20   HG11  VAL1505          HG11      VAL1505  46.611  10.792  -3.028
   21   HG12  VAL1505          HG12      VAL1505  45.116  11.741  -3.062
   22   HG13  VAL1505          HG13      VAL1505  45.234  10.257  -4.024
   23   HG21  VAL1505          HG21      VAL1505  43.047   9.306  -1.152
   24   HG22  VAL1505          HG22      VAL1505  43.141   9.455  -2.923
   25   HG23  VAL1505          HG23      VAL1505  43.062  10.901  -1.913
   26    H    THR1506           H        THR1506  45.433   5.986  -1.425
   27    HA   THR1506           HA       THR1506  45.756   5.769   1.387
   28    HB   THR1506           HB       THR1506  42.965   5.311   0.232
   29    HG1  THR1506           HG1      THR1506  43.619   7.313   1.374
   30   HG21  THR1506          HG21      THR1506  44.258   3.839   2.515
   31   HG22  THR1506          HG22      THR1506  43.032   3.332   1.352
   32   HG23  THR1506          HG23      THR1506  42.581   4.376   2.699
   33    H    CYS1507           HN       CYS1507  46.757   3.885   1.568
   34    HA   CYS1507           HA       CYS1507  46.270   1.690  -0.389
   35    HB2  CYS1507           HB2      CYS1507  48.586   2.538  -0.177
   36    HB3  CYS1507           HB3      CYS1507  48.578   2.082   1.543
   37    HA   PRO1508           HA       PRO1508  43.859   0.178   3.246
   38    HB2  PRO1508           HB2      PRO1508  43.289  -1.740   0.957
   39    HB3  PRO1508           HB3      PRO1508  42.214  -1.274   2.307
   40    HG2  PRO1508           HG2      PRO1508  41.933  -0.027  -0.069
   41    HG3  PRO1508           HG3      PRO1508  42.100   1.021   1.380
   42    HD2  PRO1508           HD2      PRO1508  44.287   0.133  -0.550
   43    HD3  PRO1508           HD3      PRO1508  43.890   1.778  -0.006
   44    H    ILE1509           H        ILE1509  46.326  -1.325   1.252
   45    HA   ILE1509           HA       ILE1509  46.545  -3.775   2.829
   46    HB   ILE1509           HB       ILE1509  48.719  -2.614   1.059
   47   HG12  ILE1509          HG12      ILE1509  46.566  -4.562   0.152
   48   HG13  ILE1509          HG13      ILE1509  46.494  -2.836  -0.211
   49   HG21  ILE1509          HG21      ILE1509  47.992  -5.417   2.012
   50   HG22  ILE1509          HG22      ILE1509  49.388  -4.459   2.544
   51   HG23  ILE1509          HG23      ILE1509  49.322  -5.057   0.891
   52   HD11  ILE1509          HD11      ILE1509  48.621  -4.758  -1.192
   53   HD12  ILE1509          HD12      ILE1509  48.665  -2.988  -1.395
   54   HD13  ILE1509          HD13      ILE1509  47.363  -3.942  -2.130
   55    H    CYS1510           HN       CYS1510  48.155  -0.608   2.809
   56    HA   CYS1510           HA       CYS1510  49.855  -1.310   5.114
   57    HB2  CYS1510           HB2      CYS1510  49.799   1.047   3.184
   58    HB3  CYS1510           HB3      CYS1510  50.942   0.855   4.513
   59    H    HIS1511           H        HIS1511  46.785  -0.178   4.862
   60    HA   HIS1511           HA       HIS1511  45.303   1.030   6.078
   61    HB2  HIS1511           HB2      HIS1511  47.271   1.201   8.326
   62    HB3  HIS1511           HB3      HIS1511  45.532   1.354   8.416
   63    HD2  HIS1511           HD2      HIS1511  45.098  -1.456   6.525
   64    HE1  HIS1511           HE1      HIS1511  46.431  -3.270  10.142
   65    HE2  HIS1511           HE2      HIS1511  45.245  -3.673   7.923
   66    H    ALA1512           H        ALA1512  46.601   2.339   4.228
   67    HA   ALA1512           HA       ALA1512  46.620   4.311   3.295
   68    HB1  ALA1512           HB1      ALA1512  45.259   5.495   5.701
   69    HB2  ALA1512           HB2      ALA1512  44.469   4.347   4.605
   70    HB3  ALA1512           HB3      ALA1512  45.058   5.899   3.978
   71    HA   PRO1513           HA       PRO1513  50.031   6.819   5.395
   72    HB2  PRO1513           HB2      PRO1513  52.362   5.462   5.051
   73    HB3  PRO1513           HB3      PRO1513  51.374   5.296   6.539
   74    HG2  PRO1513           HG2      PRO1513  51.418   3.465   4.115
   75    HG3  PRO1513           HG3      PRO1513  51.525   3.016   5.851
   76    HD2  PRO1513           HD2      PRO1513  49.176   2.934   4.456
   77    HD3  PRO1513           HD3      PRO1513  49.241   3.396   6.191
   78    H    TYR1514           H        TYR1514  50.825   8.235   3.845
   79    HA   TYR1514           HA       TYR1514  51.453   7.311   1.114
   80    HB2  TYR1514           HB2      TYR1514  48.918   7.556   1.352
   81    HB3  TYR1514           HB3      TYR1514  49.187   9.281   1.549
   82    HD1  TYR1514           HD1      TYR1514  49.655   6.366  -0.725
   83    HD2  TYR1514           HD2      TYR1514  49.610  10.670  -0.404
   84    HE1  TYR1514           HE1      TYR1514  49.627   6.555  -3.210
   85    HE2  TYR1514           HE2      TYR1514  49.560  10.856  -2.882
   86    HH   TYR1514           HH       TYR1514  49.471   9.719  -4.896
   87    H    VAL1515           H        VAL1515  53.064   8.448   0.315
   88    HA   VAL1515           HA       VAL1515  53.555  11.291   1.081
   89    HB   VAL1515           HB       VAL1515  55.674   9.100   1.187
   90   HG11  VAL1515          HG11      VAL1515  57.058  10.838   2.294
   91   HG12  VAL1515          HG12      VAL1515  55.774  12.032   2.021
   92   HG13  VAL1515          HG13      VAL1515  56.641  11.300   0.654
   93   HG21  VAL1515          HG21      VAL1515  54.218   8.781   3.121
   94   HG22  VAL1515          HG22      VAL1515  54.301  10.518   3.508
   95   HG23  VAL1515          HG23      VAL1515  55.744   9.487   3.643
   96    H    GLU1516           H        GLU1516  54.648  12.507  -0.541
   97    HA   GLU1516           HA       GLU1516  54.270  11.731  -3.225
   98    HB2  GLU1516           HB2      GLU1516  54.450  14.033  -2.408
   99    HB3  GLU1516           HB3      GLU1516  56.179  13.802  -2.079
  100    HG2  GLU1516           HG2      GLU1516  56.660  13.575  -4.447
  101    HG3  GLU1516           HG3      GLU1516  54.942  13.450  -4.837
  102    H    GLU1517           H        GLU1517  57.077  11.110  -1.191
  103    HA   GLU1517           HA       GLU1517  58.931  10.331  -3.239
  104    HB2  GLU1517           HB2      GLU1517  59.500  10.987  -0.911
  105    HB3  GLU1517           HB3      GLU1517  58.684   9.555  -0.301
  106    HG2  GLU1517           HG2      GLU1517  61.115   9.333  -0.260
  107    HG3  GLU1517           HG3      GLU1517  60.347   8.093  -1.227
  108    H    ASP1518           H        ASP1518  56.082   8.677  -2.124
  109    HA   ASP1518           HA       ASP1518  56.971   5.960  -2.324
  110    HB2  ASP1518           HB2      ASP1518  54.192   7.165  -2.602
  111    HB3  ASP1518           HB3      ASP1518  54.550   5.454  -2.511
  112    H    LEU1519           H        LEU1519  56.855   4.441  -3.918
  113    HA   LEU1519           HA       LEU1519  55.981   5.313  -6.611
  114    HB2  LEU1519           HB2      LEU1519  58.118   4.821  -7.154
  115    HB3  LEU1519           HB3      LEU1519  58.366   3.864  -5.716
  116    HG   LEU1519           HG       LEU1519  57.265   1.914  -6.830
  117   HD11  LEU1519          HD11      LEU1519  57.476   3.613  -9.356
  118   HD12  LEU1519          HD12      LEU1519  56.045   2.721  -8.759
  119   HD13  LEU1519          HD13      LEU1519  57.434   1.853  -9.359
  120   HD21  LEU1519          HD21      LEU1519  59.709   2.231  -6.606
  121   HD22  LEU1519          HD22      LEU1519  59.731   3.056  -8.181
  122   HD23  LEU1519          HD23      LEU1519  59.272   1.338  -8.061
  123    H    LEU1520           H        LEU1520  54.450   4.189  -7.640
  124    HA   LEU1520           HA       LEU1520  53.130   1.934  -6.212
  125    HB2  LEU1520           HB2      LEU1520  51.693   4.406  -7.272
  126    HB3  LEU1520           HB3      LEU1520  50.958   2.995  -6.568
  127    HG   LEU1520           HG       LEU1520  52.656   3.682  -4.521
  128   HD11  LEU1520          HD11      LEU1520  53.374   5.787  -5.671
  129   HD12  LEU1520          HD12      LEU1520  52.488   6.113  -4.173
  130   HD13  LEU1520          HD13      LEU1520  51.682   6.306  -5.742
  131   HD21  LEU1520          HD21      LEU1520  50.229   3.186  -4.373
  132   HD22  LEU1520          HD22      LEU1520  49.874   4.818  -4.975
  133   HD23  LEU1520          HD23      LEU1520  50.710   4.582  -3.409
  134    H    ILE1521           H        ILE1521  51.511   0.859  -7.362
  135    HA   ILE1521           HA       ILE1521  51.638   0.766 -10.305
  136    HB   ILE1521           HB       ILE1521  53.307  -0.813  -9.463
  137   HG12  ILE1521          HG12      ILE1521  50.937  -2.359 -10.594
  138   HG13  ILE1521          HG13      ILE1521  51.972  -1.282 -11.539
  139   HG21  ILE1521          HG21      ILE1521  52.720  -2.791  -8.135
  140   HG22  ILE1521          HG22      ILE1521  51.039  -2.240  -8.024
  141   HG23  ILE1521          HG23      ILE1521  52.352  -1.318  -7.249
  142   HD11  ILE1521          HD11      ILE1521  52.783  -3.852 -10.135
  143   HD12  ILE1521          HD12      ILE1521  53.942  -2.712 -10.844
  144   HD13  ILE1521          HD13      ILE1521  52.743  -3.516 -11.878
  145    H    GLN1522           H        GLN1522  49.760  -0.698 -11.075
  146    HA   GLN1522           HA       GLN1522  47.379  -0.394  -9.319
  147    HB2  GLN1522           HB2      GLN1522  47.924   1.642 -10.765
  148    HB3  GLN1522           HB3      GLN1522  47.690   0.600 -12.156
  149    HG2  GLN1522           HG2      GLN1522  45.291   0.194 -11.143
  150    HG3  GLN1522           HG3      GLN1522  45.669   1.611 -10.161
  151   HE21  GLN1522          HE21      GLN1522  43.825   2.611 -11.235
  152   HE22  GLN1522          HE22      GLN1522  44.016   3.266 -12.872
  153    H    CYS1523           HN       CYS1523  45.723  -1.825  -9.661
  154    HA   CYS1523           HA       CYS1523  46.054  -4.194 -11.251
  155    HB2  CYS1523           HB2      CYS1523  44.825  -4.066  -9.154
  156    HB3  CYS1523           HB3      CYS1523  43.671  -2.919  -9.842
  157    H    ARG1524           H        ARG1524  45.286  -4.744 -13.267
  158    HA   ARG1524           HA       ARG1524  44.272  -2.622 -15.050
  159    HB2  ARG1524           HB2      ARG1524  44.705  -4.033 -16.827
  160    HB3  ARG1524           HB3      ARG1524  45.994  -4.364 -15.673
  161    HG2  ARG1524           HG2      ARG1524  44.546  -6.392 -14.914
  162    HG3  ARG1524           HG3      ARG1524  43.566  -6.089 -16.354
  163    HD2  ARG1524           HD2      ARG1524  45.566  -6.281 -17.791
  164    HD3  ARG1524           HD3      ARG1524  46.585  -6.544 -16.378
  165    HE   ARG1524           HE       ARG1524  44.942  -8.488 -17.752
  166   HH11  ARG1524          HH11      ARG1524  46.173  -7.806 -14.524
  167   HH12  ARG1524          HH12      ARG1524  46.170  -9.506 -14.088
  168   HH21  ARG1524          HH21      ARG1524  45.633 -11.032 -15.513
  169   HH22  ARG1524          HH22      ARG1524  45.050 -10.644 -17.104
  170    H    HIS1525           H        HIS1525  42.731  -5.029 -13.113
  171    HA   HIS1525           HA       HIS1525  40.315  -5.144 -14.816
  172    HB2  HIS1525           HB2      HIS1525  40.854  -6.344 -12.096
  173    HB3  HIS1525           HB3      HIS1525  39.465  -6.681 -13.127
  174    HD2  HIS1525           HD2      HIS1525  42.707  -8.059 -12.222
  175    HE1  HIS1525           HE1      HIS1525  41.984  -9.720 -16.088
  176    HE2  HIS1525           HE2      HIS1525  43.390  -9.921 -13.972
  177    H    CYS1526           HN       CYS1526  41.061  -3.998 -11.476
  178    HA   CYS1526           HA       CYS1526  38.503  -2.498 -11.508
  179    HB2  CYS1526           HB2      CYS1526  38.224  -3.026  -9.283
  180    HB3  CYS1526           HB3      CYS1526  38.821  -4.521  -9.997
  181    H    GLU1527           H        GLU1527  41.622  -1.685 -11.974
  182    HA   GLU1527           HA       GLU1527  42.818   0.218 -11.888
  183    HB2  GLU1527           HB2      GLU1527  40.112   1.513 -11.436
  184    HB3  GLU1527           HB3      GLU1527  41.591   2.400 -11.778
  185    HG2  GLU1527           HG2      GLU1527  41.847   1.324 -13.929
  186    HG3  GLU1527           HG3      GLU1527  40.478   0.259 -13.613
  187    H    ARG1528           H        ARG1528  41.963  -1.064  -9.065
  188    HA   ARG1528           HA       ARG1528  42.550   0.985  -7.136
  189    HB2  ARG1528           HB2      ARG1528  42.601  -2.034  -7.174
  190    HB3  ARG1528           HB3      ARG1528  43.444  -1.229  -5.879
  191    HG2  ARG1528           HG2      ARG1528  41.128  -1.962  -5.348
  192    HG3  ARG1528           HG3      ARG1528  41.509  -0.301  -4.940
  193    HD2  ARG1528           HD2      ARG1528  40.211  -0.718  -7.609
  194    HD3  ARG1528           HD3      ARG1528  39.236  -1.118  -6.200
  195    HE   ARG1528           HE       ARG1528  40.090   1.287  -5.411
  196   HH11  ARG1528          HH11      ARG1528  38.948   3.076  -5.571
  197   HH12  ARG1528          HH12      ARG1528  37.983   3.440  -6.990
  198   HH21  ARG1528          HH21      ARG1528  38.812   0.501  -8.603
  199   HH22  ARG1528          HH22      ARG1528  37.869   1.969  -8.652
  200    H    TRP1529           H        TRP1529  44.375   1.859  -6.439
  201    HA   TRP1529           HA       TRP1529  47.011   1.064  -7.553
  202    HB2  TRP1529           HB2      TRP1529  46.097   3.472  -5.941
  203    HB3  TRP1529           HB3      TRP1529  47.766   3.169  -6.397
  204    HD1  TRP1529           HD1      TRP1529  44.391   4.053  -7.962
  205    HE1  TRP1529           HE1      TRP1529  44.735   4.869 -10.371
  206    HE3  TRP1529           HE3      TRP1529  49.431   3.245  -8.369
  207    HZ2  TRP1529           HZ2      TRP1529  46.874   4.948 -12.283
  208    HZ3  TRP1529           HZ3      TRP1529  50.602   3.702 -10.506
  209    HH2  TRP1529           HH2      TRP1529  49.330   4.524 -12.482
  210    H    MET1530           H        MET1530  48.793   0.584  -6.331
  211    HA   MET1530           HA       MET1530  48.726   0.476  -3.388
  212    HB2  MET1530           HB2      MET1530  49.494  -1.865  -3.383
  213    HB3  MET1530           HB3      MET1530  47.840  -1.719  -3.952
  214    HG2  MET1530           HG2      MET1530  50.271  -2.033  -5.756
  215    HG3  MET1530           HG3      MET1530  49.305  -3.357  -5.155
  216    HE1  MET1530           HE1      MET1530  46.277  -2.414  -5.466
  217    HE2  MET1530           HE2      MET1530  46.915  -4.010  -5.924
  218    HE3  MET1530           HE3      MET1530  45.942  -3.070  -7.080
  219    H    HIS1531           H        HIS1531  50.860   0.406  -2.459
  220    HA   HIS1531           HA       HIS1531  52.993   1.566  -3.983
  221    HB2  HIS1531           HB2      HIS1531  53.389  -0.089  -1.481
  222    HB3  HIS1531           HB3      HIS1531  54.410   1.179  -2.105
  223    HD2  HIS1531           HD2      HIS1531  53.654   3.735  -1.677
  224    HE1  HIS1531           HE1      HIS1531  50.781   2.837   1.310
  225    HE2  HIS1531           HE2      HIS1531  52.163   4.685   0.246
  226    H    ALA1532           H        ALA1532  55.026   0.654  -4.638
  227    HA   ALA1532           HA       ALA1532  54.967  -1.982  -5.797
  228    HB1  ALA1532           HB1      ALA1532  57.369  -1.506  -6.197
  229    HB2  ALA1532           HB2      ALA1532  57.292  -0.131  -5.084
  230    HB3  ALA1532           HB3      ALA1532  56.344  -0.122  -6.588
  231    H    GLY1533           H        GLY1533  56.195  -0.784  -2.647
  232    HA2  GLY1533           HA2      GLY1533  57.585  -3.072  -1.799
  233    HA3  GLY1533           HA3      GLY1533  56.883  -1.847  -0.738
  234    H    CYS1534           HN       CYS1534  54.088  -2.291  -1.165
  235    HA   CYS1534           HA       CYS1534  53.672  -4.773   0.288
  236    HB2  CYS1534           HB2      CYS1534  51.278  -4.061   0.232
  237    HB3  CYS1534           HB3      CYS1534  52.373  -2.962   1.030
  238    H    GLU1535           H        GLU1535  54.336  -4.430  -2.835
  239    HA   GLU1535           HA       GLU1535  52.937  -6.961  -3.548
  240    HB2  GLU1535           HB2      GLU1535  53.680  -4.626  -5.360
  241    HB3  GLU1535           HB3      GLU1535  53.141  -6.189  -5.952
  242    HG2  GLU1535           HG2      GLU1535  51.526  -4.304  -4.181
  243    HG3  GLU1535           HG3      GLU1535  51.323  -4.538  -5.904
  244    H    SER1536           H        SER1536  55.721  -6.012  -2.362
  245    HA   SER1536           HA       SER1536  57.850  -6.648  -2.349
  246    HB2  SER1536           HB2      SER1536  56.906  -9.168  -3.742
  247    HB3  SER1536           HB3      SER1536  58.417  -8.960  -2.845
  248    HG   SER1536           HG       SER1536  56.785  -9.915  -1.536
  249    H    LEU1537           H        LEU1537  56.932  -5.168  -4.801
  250    HA   LEU1537           HA       LEU1537  58.974  -5.883  -6.835
  251    HB2  LEU1537           HB2      LEU1537  56.960  -3.615  -6.714
  252    HB3  LEU1537           HB3      LEU1537  57.970  -4.006  -8.100
  253    HG   LEU1537           HG       LEU1537  55.838  -5.858  -6.923
  254   HD11  LEU1537          HD11      LEU1537  54.856  -3.784  -7.829
  255   HD12  LEU1537          HD12      LEU1537  54.436  -5.206  -8.797
  256   HD13  LEU1537          HD13      LEU1537  55.682  -4.089  -9.378
  257   HD21  LEU1537          HD21      LEU1537  56.012  -7.061  -9.052
  258   HD22  LEU1537          HD22      LEU1537  57.583  -7.049  -8.245
  259   HD23  LEU1537          HD23      LEU1537  57.275  -5.948  -9.613
  260    H    PHE1538           H        PHE1538  61.024  -5.208  -6.537
  261    HA   PHE1538           HA       PHE1538  61.684  -3.487  -4.333
  262    HB2  PHE1538           HB2      PHE1538  62.966  -5.476  -4.987
  263    HB3  PHE1538           HB3      PHE1538  63.391  -4.723  -6.522
  264    HD1  PHE1538           HD1      PHE1538  65.339  -3.479  -6.772
  265    HD2  PHE1538           HD2      PHE1538  63.790  -4.248  -2.818
  266    HE1  PHE1538           HE1      PHE1538  67.382  -2.518  -5.791
  267    HE2  PHE1538           HE2      PHE1538  65.851  -3.275  -1.832
  268    HZ   PHE1538           HZ       PHE1538  67.654  -2.404  -3.307
  269    H    THR1539           H        THR1539  61.356  -2.794  -7.767
  270    HA   THR1539           HA       THR1539  62.167   0.021  -7.405
  271    HB   THR1539           HB       THR1539  64.305  -1.132  -7.701
  272    HG1  THR1539           HG1      THR1539  65.028   0.194  -9.306
  273   HG21  THR1539          HG21      THR1539  64.897  -2.164  -9.879
  274   HG22  THR1539          HG22      THR1539  63.201  -2.061 -10.389
  275   HG23  THR1539          HG23      THR1539  63.665  -3.098  -9.025
  276    H    GLU1540           H        GLU1540  62.108   1.180  -9.612
  277    HA   GLU1540           HA       GLU1540  59.405   0.987 -10.596
  278    HB2  GLU1540           HB2      GLU1540  60.657   3.093 -10.408
  279    HB3  GLU1540           HB3      GLU1540  61.796   2.541 -11.651
  280    HG2  GLU1540           HG2      GLU1540  59.972   2.447 -13.305
  281    HG3  GLU1540           HG3      GLU1540  58.796   2.895 -12.059
  282    H    ASP1541           H        ASP1541  62.548  -0.208 -11.840
  283    HA   ASP1541           HA       ASP1541  61.603  -1.046 -14.399
  284    HB2  ASP1541           HB2      ASP1541  63.720  -2.389 -12.687
  285    HB3  ASP1541           HB3      ASP1541  63.465  -2.633 -14.408
  286    H    ASP1542           H        ASP1542  61.380  -2.715 -11.206
  287    HA   ASP1542           HA       ASP1542  60.240  -5.146 -12.293
  288    HB2  ASP1542           HB2      ASP1542  60.262  -3.948  -9.496
  289    HB3  ASP1542           HB3      ASP1542  59.591  -5.506  -9.914
  290    H    VAL1543           H        VAL1543  58.906  -2.094 -10.963
  291    HA   VAL1543           HA       VAL1543  56.128  -2.890 -11.169
  292    HB   VAL1543           HB       VAL1543  57.558  -0.251 -11.034
  293   HG11  VAL1543          HG11      VAL1543  55.694   0.338 -12.404
  294   HG12  VAL1543          HG12      VAL1543  55.320   0.871 -10.767
  295   HG13  VAL1543          HG13      VAL1543  54.562  -0.591 -11.417
  296   HG21  VAL1543          HG21      VAL1543  57.365  -1.562  -8.966
  297   HG22  VAL1543          HG22      VAL1543  55.599  -1.665  -9.186
  298   HG23  VAL1543          HG23      VAL1543  56.363  -0.103  -8.873
  299    H    GLU1544           H        GLU1544  58.268  -1.186 -13.504
  300    HA   GLU1544           HA       GLU1544  56.311  -0.963 -15.576
  301    HB2  GLU1544           HB2      GLU1544  59.352  -0.976 -15.499
  302    HB3  GLU1544           HB3      GLU1544  58.465  -0.948 -17.034
  303    HG2  GLU1544           HG2      GLU1544  57.162   1.045 -16.138
  304    HG3  GLU1544           HG3      GLU1544  58.327   1.131 -14.820
  305    H    GLN1545           H        GLN1545  58.659  -3.606 -14.868
  306    HA   GLN1545           HA       GLN1545  57.841  -5.280 -17.075
  307    HB2  GLN1545           HB2      GLN1545  59.494  -5.596 -14.632
  308    HB3  GLN1545           HB3      GLN1545  58.523  -7.009 -14.953
  309    HG2  GLN1545           HG2      GLN1545  60.716  -7.196 -16.001
  310    HG3  GLN1545           HG3      GLN1545  59.409  -7.266 -17.181
  311   HE21  GLN1545          HE21      GLN1545  60.552  -4.161 -15.787
  312   HE22  GLN1545          HE22      GLN1545  61.276  -3.613 -17.300
  313    H    ALA1546           H        ALA1546  56.654  -5.067 -13.661
  314    HA   ALA1546           HA       ALA1546  54.860  -7.214 -14.006
  315    HB1  ALA1546           HB1      ALA1546  55.725  -6.465 -11.825
  316    HB2  ALA1546           HB2      ALA1546  53.961  -6.446 -11.806
  317    HB3  ALA1546           HB3      ALA1546  54.862  -4.926 -11.986
  318    H    ALA1547           H        ALA1547  54.487  -3.756 -14.629
  319    HA   ALA1547           HA       ALA1547  51.640  -3.707 -15.120
  320    HB1  ALA1547           HB1      ALA1547  53.942  -1.929 -16.024
  321    HB2  ALA1547           HB2      ALA1547  52.949  -1.706 -14.560
  322    HB3  ALA1547           HB3      ALA1547  52.220  -1.529 -16.175
  323    H    ASP1548           H        ASP1548  54.523  -3.907 -17.325
  324    HA   ASP1548           HA       ASP1548  53.081  -4.177 -19.754
  325    HB2  ASP1548           HB2      ASP1548  55.857  -4.997 -18.818
  326    HB3  ASP1548           HB3      ASP1548  55.296  -5.236 -20.453
  327    H    GLU1549           H        GLU1549  54.027  -6.607 -17.353
  328    HA   GLU1549           HA       GLU1549  53.132  -8.905 -18.918
  329    HB2  GLU1549           HB2      GLU1549  53.771  -8.480 -15.980
  330    HB3  GLU1549           HB3      GLU1549  53.248 -10.036 -16.596
  331    HG2  GLU1549           HG2      GLU1549  55.654  -8.651 -17.834
  332    HG3  GLU1549           HG3      GLU1549  55.779  -9.528 -16.317
  333    H    GLY1550           H        GLY1550  51.358  -6.441 -17.504
  334    HA2  GLY1550           HA2      GLY1550  49.060  -6.163 -17.324
  335    HA3  GLY1550           HA3      GLY1550  48.804  -7.883 -17.623
  336    H    PHE1551           H        PHE1551  49.197  -5.410 -15.206
  337    HA   PHE1551           HA       PHE1551  49.633  -7.267 -13.003
  338    HB2  PHE1551           HB2      PHE1551  50.614  -4.915 -13.278
  339    HB3  PHE1551           HB3      PHE1551  49.035  -4.314 -12.794
  340    HD1  PHE1551           HD1      PHE1551  48.561  -4.140 -10.416
  341    HD2  PHE1551           HD2      PHE1551  51.737  -6.701 -11.801
  342    HE1  PHE1551           HE1      PHE1551  49.234  -4.590  -8.065
  343    HE2  PHE1551           HE2      PHE1551  52.422  -7.131  -9.447
  344    HZ   PHE1551           HZ       PHE1551  51.155  -6.071  -7.592
  345    H    ASP1552           H        ASP1552  48.327  -7.303 -11.024
  346    HA   ASP1552           HA       ASP1552  45.578  -6.461 -11.096
  347    HB2  ASP1552           HB2      ASP1552  44.745  -8.853 -10.575
  348    HB3  ASP1552           HB3      ASP1552  44.971  -8.312 -12.222
  349    H    CYS1553           HN       CYS1553  44.489  -6.554  -9.100
  350    HA   CYS1553           HA       CYS1553  46.264  -6.570  -6.815
  351    HB2  CYS1553           HB2      CYS1553  44.574  -5.452  -5.677
  352    HB3  CYS1553           HB3      CYS1553  44.468  -4.849  -7.308
  353    H    VAL1554           H        VAL1554  45.162  -7.261  -4.771
  354    HA   VAL1554           HA       VAL1554  45.451 -10.096  -4.620
  355    HB   VAL1554           HB       VAL1554  44.471  -8.709  -2.173
  356   HG11  VAL1554          HG11      VAL1554  46.409  -9.883  -1.224
  357   HG12  VAL1554          HG12      VAL1554  46.976 -10.291  -2.864
  358   HG13  VAL1554          HG13      VAL1554  45.466 -10.986  -2.243
  359   HG21  VAL1554          HG21      VAL1554  45.729  -6.784  -2.999
  360   HG22  VAL1554          HG22      VAL1554  47.111  -7.828  -3.412
  361   HG23  VAL1554          HG23      VAL1554  46.635  -7.578  -1.719
  362    H    SER1555           H        SER1555  42.661  -8.256  -5.183
  363    HA   SER1555           HA       SER1555  40.813 -10.370  -4.113
  364    HB2  SER1555           HB2      SER1555  40.240  -7.589  -5.189
  365    HB3  SER1555           HB3      SER1555  39.034  -8.757  -4.614
  366    HG   SER1555           HG       SER1555  39.633  -7.239  -2.964
  367    H    CYS1556           HN       CYS1556  41.806  -8.621  -7.090
  368    HA   CYS1556           HA       CYS1556  40.035 -10.000  -8.830
  369    HB2  CYS1556           HB2      CYS1556  42.532  -8.324  -9.193
  370    HB3  CYS1556           HB3      CYS1556  41.661  -9.068 -10.553
  371    H    GLN1557           H        GLN1557  43.304 -10.691  -7.617
  372    HA   GLN1557           HA       GLN1557  43.907 -12.883  -9.268
  373    HB2  GLN1557           HB2      GLN1557  44.758 -12.015  -6.531
  374    HB3  GLN1557           HB3      GLN1557  45.260 -13.608  -7.132
  375    HG2  GLN1557           HG2      GLN1557  46.386 -12.680  -9.012
  376    HG3  GLN1557           HG3      GLN1557  45.544 -11.140  -8.868
  377   HE21  GLN1557          HE21      GLN1557  47.766 -10.392  -9.176
  378   HE22  GLN1557          HE22      GLN1557  48.667 -10.056  -7.726
  379    HA   PRO1558           HA       PRO1558  41.546 -15.936  -6.242
  380    HB2  PRO1558           HB2      PRO1558  39.688 -13.808  -5.125
  381    HB3  PRO1558           HB3      PRO1558  40.111 -15.401  -4.424
  382    HG2  PRO1558           HG2      PRO1558  41.358 -13.164  -3.552
  383    HG3  PRO1558           HG3      PRO1558  42.302 -14.660  -3.854
  384    HD2  PRO1558           HD2      PRO1558  42.121 -12.191  -5.555
  385    HD3  PRO1558           HD3      PRO1558  43.488 -13.281  -5.242
  386    H    TYR1559           H        TYR1559  39.830 -13.075  -7.690
  387    HA   TYR1559           HA       TYR1559  37.657 -14.666  -8.720
  388    HB2  TYR1559           HB2      TYR1559  38.625 -12.016  -9.810
  389    HB3  TYR1559           HB3      TYR1559  37.020 -12.710  -9.950
  390    HD1  TYR1559           HD1      TYR1559  37.695  -9.933  -9.013
  391    HD2  TYR1559           HD2      TYR1559  37.002 -13.592  -6.825
  392    HE1  TYR1559           HE1      TYR1559  37.042  -8.621  -7.012
  393    HE2  TYR1559           HE2      TYR1559  36.384 -12.285  -4.828
  394    HH   TYR1559           HH       TYR1559  36.025 -10.180  -3.940
  395    H    VAL1560           H        VAL1560  40.655 -13.523 -10.316
  396    HA   VAL1560           HA       VAL1560  39.909 -14.699 -12.851
  397    HB   VAL1560           HB       VAL1560  41.174 -12.488 -12.392
  398   HG11  VAL1560          HG11      VAL1560  43.591 -12.549 -12.423
  399   HG12  VAL1560          HG12      VAL1560  43.608 -14.317 -12.607
  400   HG13  VAL1560          HG13      VAL1560  43.061 -13.580 -11.093
  401   HG21  VAL1560          HG21      VAL1560  42.160 -14.325 -14.608
  402   HG22  VAL1560          HG22      VAL1560  42.240 -12.551 -14.571
  403   HG23  VAL1560          HG23      VAL1560  40.672 -13.363 -14.636
  404    H    VAL1561           H        VAL1561  42.178 -15.757 -10.320
  405    HA   VAL1561           HA       VAL1561  43.832 -17.347 -11.988
  406    HB   VAL1561           HB       VAL1561  43.303 -17.409  -9.004
  407   HG11  VAL1561          HG11      VAL1561  45.348 -19.074 -10.542
  408   HG12  VAL1561          HG12      VAL1561  43.998 -19.692  -9.555
  409   HG13  VAL1561          HG13      VAL1561  45.326 -18.827  -8.784
  410   HG21  VAL1561          HG21      VAL1561  45.536 -16.413  -8.890
  411   HG22  VAL1561          HG22      VAL1561  44.575 -15.463 -10.029
  412   HG23  VAL1561          HG23      VAL1561  45.767 -16.616 -10.641
  413    H    LYS1562           H        LYS1562  43.648 -19.256 -12.910
  414    HA   LYS1562           HA       LYS1562  41.076 -20.297 -13.264
  415    HB2  LYS1562           HB2      LYS1562  43.115 -20.300 -14.820
  416    HB3  LYS1562           HB3      LYS1562  43.660 -21.757 -14.011
  417    HG2  LYS1562           HG2      LYS1562  40.993 -21.412 -15.465
  418    HG3  LYS1562           HG3      LYS1562  42.459 -22.067 -16.184
  419    HD2  LYS1562           HD2      LYS1562  42.406 -23.944 -14.480
  420    HD3  LYS1562           HD3      LYS1562  40.857 -23.312 -13.911
  421    HE2  LYS1562           HE2      LYS1562  40.329 -25.085 -15.366
  422    HE3  LYS1562           HE3      LYS1562  39.904 -23.594 -16.204
  423    HZ1  LYS1562           HZ1      LYS1562  42.402 -25.164 -16.679
  424    HZ2  LYS1562           HZ2      LYS1562  41.972 -23.817 -17.504
  425    HZ3  LYS1562           HZ3      LYS1562  41.091 -25.179 -17.648
  426    HA   LYS  12           HA       LYS  12  43.523  -0.279 -14.917
  427    H    GLY  13           H        GLY  13  45.592  -0.898 -14.030
  428    HA2  GLY  13           HA2      GLY  13  47.463  -2.227 -14.366
  429    HA3  GLY  13           HA3      GLY  13  47.340  -1.939 -16.090
  430    H    GLY  14           H        GLY  14  47.514   1.020 -14.363
  431    HA2  GLY  14           HA2      GLY  14  50.029   1.684 -15.638
  432    HA3  GLY  14           HA3      GLY  14  49.012   2.733 -14.662
  433    H    ALA  15           H        ALA  15  51.315   3.399 -14.333
  434    HA   ALA  15           HA       ALA  15  52.365   2.354 -11.766
  435    HB1  ALA  15           HB1      ALA  15  54.661   2.409 -12.737
  436    HB2  ALA  15           HB2      ALA  15  53.967   2.704 -14.337
  437    HB3  ALA  15           HB3      ALA  15  53.625   1.172 -13.498
  438   HH31  ALY  16           H26      ALY  16  47.230   7.240 -13.046
  439   HH32  ALY  16           H27      ALY  16  46.022   8.535 -12.902
  440   HH33  ALY  16           H28      ALY  16  45.982   7.172 -11.766
  441    HZ   ALY  16           HZ1      ALY  16  48.348   6.825 -10.778
  442    HE3  ALY  16           HE3      ALY  16  49.812   9.259 -10.122
  443    HE2  ALY  16           HE2      ALY  16  48.716   8.754  -8.835
  444    HD3  ALY  16           HD3      ALY  16  50.834   7.819  -8.343
  445    HD2  ALY  16           HD2      ALY  16  49.821   6.473  -8.870
  446    HG3  ALY  16           HG3      ALY  16  50.908   6.416 -11.052
  447    HG2  ALY  16           HG2      ALY  16  51.726   7.959 -10.742
  448    HB3  ALY  16           HB3      ALY  16  52.962   6.963  -8.871
  449    HB2  ALY  16           HB2      ALY  16  52.192   5.404  -9.154
  450    HA   ALY  16           HA       ALY  16  53.689   6.698 -11.430
  451    H    ALY  16           H        ALY  16  53.602   3.821 -10.590
  452    H    ARG  17           H        ARG  17  55.806   7.292 -11.258
  453    HA   ARG  17           HA       ARG  17  57.692   6.100  -9.387
  454    HB2  ARG  17           HB2      ARG  17  58.310   7.051 -11.574
  455    HB3  ARG  17           HB3      ARG  17  57.834   8.667 -11.023
  456    HG2  ARG  17           HG2      ARG  17  59.630   8.615  -9.319
  457    HG3  ARG  17           HG3      ARG  17  60.067   6.966  -9.812
  458    HD2  ARG  17           HD2      ARG  17  60.676   7.798 -12.065
  459    HD3  ARG  17           HD3      ARG  17  60.132   9.415 -11.631
  460    HE   ARG  17           HE       ARG  17  62.072   9.791 -10.423
  461   HH11  ARG  17          HH11      ARG  17  64.153   9.431  -9.765
  462   HH12  ARG  17          HH12      ARG  17  64.864   7.854  -9.931
  463   HH21  ARG  17          HH21      ARG  17  62.068   6.377 -11.300
  464   HH22  ARG  17          HH22      ARG  17  63.717   6.172 -10.761
  465    H    HIS  18           H        HIS  18  55.434   8.743  -9.118
  466    HA   HIS  18           HA       HIS  18  56.392   9.332  -6.352
  467    HB2  HIS  18           HB2      HIS  18  55.409  11.355  -8.394
  468    HB3  HIS  18           HB3      HIS  18  55.790  11.697  -6.714
  469    HD2  HIS  18           HD2      HIS  18  58.385  11.764  -5.993
  470    HE1  HIS  18           HE1      HIS  18  60.013  11.690  -9.939
  471    HE2  HIS  18           HE2      HIS  18  60.543  12.084  -7.480
  472    H    ARG  19           H        ARG  19  54.895   9.881  -4.846
  473    HA   ARG  19           HA       ARG  19  52.927   9.468  -3.678
  Start of MODEL    9
    1    H    SER1503           H        SER1503  43.129   1.406  -4.382
    2    HA   SER1503           HA       SER1503  41.771   3.786  -4.500
    3    HB2  SER1503           HB2      SER1503  43.110   2.624  -2.024
    4    HB3  SER1503           HB3      SER1503  41.720   3.720  -2.034
    5    HG   SER1503           HG       SER1503  40.479   2.100  -3.006
    6    H    LEU1504           H        LEU1504  45.110   3.576  -4.464
    7    HA   LEU1504           HA       LEU1504  46.855   4.960  -4.380
    8    HB2  LEU1504           HB2      LEU1504  45.853   6.041  -6.205
    9    HB3  LEU1504           HB3      LEU1504  44.746   6.955  -5.220
   10    HG   LEU1504           HG       LEU1504  46.710   8.228  -4.254
   11   HD11  LEU1504          HD11      LEU1504  48.849   8.135  -5.538
   12   HD12  LEU1504          HD12      LEU1504  48.245   6.697  -6.397
   13   HD13  LEU1504          HD13      LEU1504  48.535   6.654  -4.638
   14   HD21  LEU1504          HD21      LEU1504  45.354   9.081  -6.130
   15   HD22  LEU1504          HD22      LEU1504  46.447   8.274  -7.275
   16   HD23  LEU1504          HD23      LEU1504  47.038   9.603  -6.222
   17    H    VAL1505           H        VAL1505  44.479   7.025  -2.555
   18    HA   VAL1505           HA       VAL1505  46.710   7.873  -0.845
   19    HB   VAL1505           HB       VAL1505  45.156   9.484   0.115
   20   HG11  VAL1505          HG11      VAL1505  45.003   9.495  -2.921
   21   HG12  VAL1505          HG12      VAL1505  46.407  10.013  -1.956
   22   HG13  VAL1505          HG13      VAL1505  44.866  10.882  -1.832
   23   HG21  VAL1505          HG21      VAL1505  42.897   9.795  -0.756
   24   HG22  VAL1505          HG22      VAL1505  43.036   8.199  -0.012
   25   HG23  VAL1505          HG23      VAL1505  43.048   8.358  -1.786
   26    H    THR1506           H        THR1506  45.462   5.088  -0.716
   27    HA   THR1506           HA       THR1506  45.682   4.703   2.118
   28    HB   THR1506           HB       THR1506  43.063   4.056   0.695
   29    HG1  THR1506           HG1      THR1506  43.243   6.033   1.913
   30   HG21  THR1506          HG21      THR1506  43.215   2.038   1.699
   31   HG22  THR1506          HG22      THR1506  42.604   2.936   3.085
   32   HG23  THR1506          HG23      THR1506  44.335   2.562   2.958
   33    H    CYS1507           HN       CYS1507  46.940   2.998   2.220
   34    HA   CYS1507           HA       CYS1507  46.840   0.864   0.138
   35    HB2  CYS1507           HB2      CYS1507  49.010   1.938   0.487
   36    HB3  CYS1507           HB3      CYS1507  48.961   1.520   2.204
   37    HA   PRO1508           HA       PRO1508  44.388  -1.023   3.597
   38    HB2  PRO1508           HB2      PRO1508  44.189  -2.935   1.236
   39    HB3  PRO1508           HB3      PRO1508  42.981  -2.631   2.512
   40    HG2  PRO1508           HG2      PRO1508  42.726  -1.339   0.163
   41    HG3  PRO1508           HG3      PRO1508  42.676  -0.331   1.644
   42    HD2  PRO1508           HD2      PRO1508  45.061  -0.933  -0.165
   43    HD3  PRO1508           HD3      PRO1508  44.451   0.653   0.383
   44    H    ILE1509           H        ILE1509  47.145  -2.138   1.785
   45    HA   ILE1509           HA       ILE1509  47.561  -4.587   3.359
   46    HB   ILE1509           HB       ILE1509  49.505  -3.243   1.451
   47   HG12  ILE1509          HG12      ILE1509  47.501  -5.467   0.805
   48   HG13  ILE1509          HG13      ILE1509  47.258  -3.789   0.335
   49   HG21  ILE1509          HG21      ILE1509  50.463  -5.535   1.337
   50   HG22  ILE1509          HG22      ILE1509  49.233  -6.092   2.499
   51   HG23  ILE1509          HG23      ILE1509  50.482  -4.920   2.979
   52   HD11  ILE1509          HD11      ILE1509  49.488  -5.572  -0.674
   53   HD12  ILE1509          HD12      ILE1509  49.323  -3.826  -1.019
   54   HD13  ILE1509          HD13      ILE1509  48.079  -4.967  -1.554
   55    H    CYS1510           HN       CYS1510  48.851  -1.253   3.326
   56    HA   CYS1510           HA       CYS1510  50.492  -1.656   5.730
   57    HB2  CYS1510           HB2      CYS1510  49.742   0.762   4.020
   58    HB3  CYS1510           HB3      CYS1510  50.675   0.859   5.512
   59    H    HIS1511           H        HIS1511  47.180  -1.082   5.135
   60    HA   HIS1511           HA       HIS1511  45.371  -0.404   6.300
   61    HB2  HIS1511           HB2      HIS1511  46.950  -0.313   8.843
   62    HB3  HIS1511           HB3      HIS1511  45.211  -0.424   8.660
   63    HD2  HIS1511           HD2      HIS1511  48.279  -2.592   8.937
   64    HE1  HIS1511           HE1      HIS1511  45.127  -5.264   7.863
   65    HE2  HIS1511           HE2      HIS1511  47.538  -5.113   8.675
   66    H    ALA1512           H        ALA1512  46.853   1.358   4.895
   67    HA   ALA1512           HA       ALA1512  46.755   3.405   4.203
   68    HB1  ALA1512           HB1      ALA1512  44.391   2.975   5.063
   69    HB2  ALA1512           HB2      ALA1512  44.859   4.623   4.579
   70    HB3  ALA1512           HB3      ALA1512  44.768   4.176   6.302
   71    HA   PRO1513           HA       PRO1513  49.095   6.104   7.349
   72    HB2  PRO1513           HB2      PRO1513  51.514   5.049   7.933
   73    HB3  PRO1513           HB3      PRO1513  50.050   4.571   8.837
   74    HG2  PRO1513           HG2      PRO1513  51.303   3.130   6.469
   75    HG3  PRO1513           HG3      PRO1513  50.884   2.444   8.072
   76    HD2  PRO1513           HD2      PRO1513  49.180   2.287   5.938
   77    HD3  PRO1513           HD3      PRO1513  48.590   2.507   7.614
   78    H    TYR1514           H        TYR1514  48.601   6.483   4.837
   79    HA   TYR1514           HA       TYR1514  50.621   5.982   2.888
   80    HB2  TYR1514           HB2      TYR1514  48.266   6.160   2.338
   81    HB3  TYR1514           HB3      TYR1514  48.202   7.818   2.926
   82    HD1  TYR1514           HD1      TYR1514  48.822   9.670   1.536
   83    HD2  TYR1514           HD2      TYR1514  49.604   5.617   0.252
   84    HE1  TYR1514           HE1      TYR1514  49.336  10.488  -0.764
   85    HE2  TYR1514           HE2      TYR1514  50.144   6.446  -2.027
   86    HH   TYR1514           HH       TYR1514  50.449   8.314  -3.379
   87    H    VAL1515           H        VAL1515  52.192   7.172   1.991
   88    HA   VAL1515           HA       VAL1515  52.468  10.061   2.472
   89    HB   VAL1515           HB       VAL1515  54.881   8.246   2.827
   90   HG11  VAL1515          HG11      VAL1515  55.960  10.321   3.643
   91   HG12  VAL1515          HG12      VAL1515  54.469  11.229   3.333
   92   HG13  VAL1515          HG13      VAL1515  55.397  10.528   1.990
   93   HG21  VAL1515          HG21      VAL1515  53.309   9.687   4.996
   94   HG22  VAL1515          HG22      VAL1515  54.890   8.914   5.211
   95   HG23  VAL1515          HG23      VAL1515  53.486   7.925   4.819
   96    H    GLU1516           H        GLU1516  53.196  11.115   0.645
   97    HA   GLU1516           HA       GLU1516  52.761   9.781  -1.809
   98    HB2  GLU1516           HB2      GLU1516  54.027  12.491  -1.259
   99    HB3  GLU1516           HB3      GLU1516  53.436  11.940  -2.832
  100    HG2  GLU1516           HG2      GLU1516  51.157  11.660  -1.868
  101    HG3  GLU1516           HG3      GLU1516  51.726  12.359  -0.348
  102    H    GLU1517           H        GLU1517  55.802  10.044  -0.121
  103    HA   GLU1517           HA       GLU1517  57.510  10.051  -2.438
  104    HB2  GLU1517           HB2      GLU1517  59.319   9.837  -0.961
  105    HB3  GLU1517           HB3      GLU1517  58.145  10.895  -0.186
  106    HG2  GLU1517           HG2      GLU1517  57.344   8.863   1.138
  107    HG3  GLU1517           HG3      GLU1517  58.708   7.972   0.469
  108    H    ASP1518           H        ASP1518  55.847   7.406  -0.886
  109    HA   ASP1518           HA       ASP1518  57.674   5.317  -1.866
  110    HB2  ASP1518           HB2      ASP1518  54.934   5.159  -0.566
  111    HB3  ASP1518           HB3      ASP1518  55.917   3.771  -1.020
  112    H    LEU1519           H        LEU1519  57.656   4.473  -3.868
  113    HA   LEU1519           HA       LEU1519  55.709   5.397  -5.777
  114    HB2  LEU1519           HB2      LEU1519  57.094   4.696  -7.409
  115    HB3  LEU1519           HB3      LEU1519  58.213   4.931  -6.096
  116    HG   LEU1519           HG       LEU1519  57.720   2.244  -5.796
  117   HD11  LEU1519          HD11      LEU1519  57.517   2.836  -8.799
  118   HD12  LEU1519          HD12      LEU1519  56.226   2.140  -7.807
  119   HD13  LEU1519          HD13      LEU1519  57.726   1.233  -8.069
  120   HD21  LEU1519          HD21      LEU1519  59.942   3.313  -6.040
  121   HD22  LEU1519          HD22      LEU1519  59.677   3.467  -7.792
  122   HD23  LEU1519          HD23      LEU1519  59.799   1.857  -7.035
  123    H    LEU1520           H        LEU1520  54.330   4.230  -7.133
  124    HA   LEU1520           HA       LEU1520  53.083   1.862  -5.816
  125    HB2  LEU1520           HB2      LEU1520  51.643   4.167  -7.160
  126    HB3  LEU1520           HB3      LEU1520  50.920   2.760  -6.423
  127    HG   LEU1520           HG       LEU1520  52.341   3.706  -4.270
  128   HD11  LEU1520          HD11      LEU1520  52.027   6.145  -4.173
  129   HD12  LEU1520          HD12      LEU1520  51.337   6.161  -5.810
  130   HD13  LEU1520          HD13      LEU1520  53.045   5.759  -5.562
  131   HD21  LEU1520          HD21      LEU1520  49.955   3.084  -4.306
  132   HD22  LEU1520          HD22      LEU1520  49.575   4.588  -5.170
  133   HD23  LEU1520          HD23      LEU1520  50.191   4.641  -3.502
  134    H    ILE1521           H        ILE1521  51.882   0.493  -6.985
  135    HA   ILE1521           HA       ILE1521  52.284   0.337  -9.925
  136    HB   ILE1521           HB       ILE1521  53.383  -1.520  -8.856
  137   HG12  ILE1521          HG12      ILE1521  50.746  -2.643  -9.879
  138   HG13  ILE1521          HG13      ILE1521  51.904  -1.859 -10.951
  139   HG21  ILE1521          HG21      ILE1521  52.248  -3.173  -7.421
  140   HG22  ILE1521          HG22      ILE1521  50.794  -2.163  -7.431
  141   HG23  ILE1521          HG23      ILE1521  52.289  -1.584  -6.671
  142   HD11  ILE1521          HD11      ILE1521  52.263  -4.216 -11.086
  143   HD12  ILE1521          HD12      ILE1521  52.392  -4.377  -9.327
  144   HD13  ILE1521          HD13      ILE1521  53.652  -3.502 -10.231
  145    H    GLN1522           H        GLN1522  50.413  -0.248 -11.136
  146    HA   GLN1522           HA       GLN1522  47.813  -0.126  -9.660
  147    HB2  GLN1522           HB2      GLN1522  48.362   1.930 -11.046
  148    HB3  GLN1522           HB3      GLN1522  48.337   0.895 -12.453
  149    HG2  GLN1522           HG2      GLN1522  45.900   0.287 -11.601
  150    HG3  GLN1522           HG3      GLN1522  46.092   1.745 -10.616
  151   HE21  GLN1522          HE21      GLN1522  44.636   3.372 -13.438
  152   HE22  GLN1522          HE22      GLN1522  44.362   2.780 -11.799
  153    H    CYS1523           HN       CYS1523  46.619  -1.915  -9.876
  154    HA   CYS1523           HA       CYS1523  47.313  -4.093 -11.589
  155    HB2  CYS1523           HB2      CYS1523  45.325  -5.078 -10.663
  156    HB3  CYS1523           HB3      CYS1523  46.273  -4.315  -9.396
  157    H    ARG1524           H        ARG1524  46.119  -4.982 -13.339
  158    HA   ARG1524           HA       ARG1524  45.409  -2.793 -15.212
  159    HB2  ARG1524           HB2      ARG1524  45.822  -5.718 -15.890
  160    HB3  ARG1524           HB3      ARG1524  45.816  -4.335 -16.977
  161    HG2  ARG1524           HG2      ARG1524  47.965  -5.236 -15.084
  162    HG3  ARG1524           HG3      ARG1524  48.066  -4.847 -16.797
  163    HD2  ARG1524           HD2      ARG1524  47.885  -2.935 -14.463
  164    HD3  ARG1524           HD3      ARG1524  49.259  -3.207 -15.517
  165    HE   ARG1524           HE       ARG1524  47.668  -2.330 -17.384
  166   HH11  ARG1524          HH11      ARG1524  47.769  -1.038 -14.103
  167   HH12  ARG1524          HH12      ARG1524  47.221   0.542 -14.646
  168   HH21  ARG1524          HH21      ARG1524  47.099  -0.248 -17.968
  169   HH22  ARG1524          HH22      ARG1524  47.083   1.018 -16.777
  170    H    HIS1525           H        HIS1525  43.578  -5.258 -13.590
  171    HA   HIS1525           HA       HIS1525  41.463  -5.128 -15.659
  172    HB2  HIS1525           HB2      HIS1525  41.498  -7.011 -13.309
  173    HB3  HIS1525           HB3      HIS1525  40.622  -7.140 -14.821
  174    HD2  HIS1525           HD2      HIS1525  44.080  -7.710 -13.284
  175    HE1  HIS1525           HE1      HIS1525  44.488  -8.865 -17.361
  176    HE2  HIS1525           HE2      HIS1525  45.660  -8.776 -15.102
  177    H    CYS1526           HN       CYS1526  41.855  -4.240 -12.234
  178    HA   CYS1526           HA       CYS1526  39.239  -2.846 -12.430
  179    HB2  CYS1526           HB2      CYS1526  38.581  -3.607 -10.474
  180    HB3  CYS1526           HB3      CYS1526  39.638  -4.941 -10.864
  181    H    GLU1527           H        GLU1527  42.473  -2.178 -12.362
  182    HA   GLU1527           HA       GLU1527  43.680  -0.346 -12.322
  183    HB2  GLU1527           HB2      GLU1527  42.955   1.274 -13.607
  184    HB3  GLU1527           HB3      GLU1527  41.622   0.167 -13.829
  185    HG2  GLU1527           HG2      GLU1527  40.537   1.563 -11.833
  186    HG3  GLU1527           HG3      GLU1527  41.711   2.777 -12.333
  187    H    ARG1528           H        ARG1528  42.828  -1.118  -9.584
  188    HA   ARG1528           HA       ARG1528  42.967   1.407  -8.048
  189    HB2  ARG1528           HB2      ARG1528  42.821  -1.539  -7.358
  190    HB3  ARG1528           HB3      ARG1528  43.391  -0.396  -6.151
  191    HG2  ARG1528           HG2      ARG1528  40.999  -0.879  -5.904
  192    HG3  ARG1528           HG3      ARG1528  41.307   0.839  -6.171
  193    HD2  ARG1528           HD2      ARG1528  40.543   0.713  -8.457
  194    HD3  ARG1528           HD3      ARG1528  40.508  -1.046  -8.395
  195    HE   ARG1528           HE       ARG1528  38.729   0.543  -6.598
  196   HH11  ARG1528          HH11      ARG1528  38.957  -1.788  -9.239
  197   HH12  ARG1528          HH12      ARG1528  37.216  -1.982  -9.279
  198   HH21  ARG1528          HH21      ARG1528  36.520   0.136  -6.723
  199   HH22  ARG1528          HH22      ARG1528  35.918  -0.970  -7.932
  200    H    TRP1529           H        TRP1529  44.689   2.117  -6.837
  201    HA   TRP1529           HA       TRP1529  47.400   1.202  -7.640
  202    HB2  TRP1529           HB2      TRP1529  46.424   3.675  -6.192
  203    HB3  TRP1529           HB3      TRP1529  48.107   3.319  -6.520
  204    HD1  TRP1529           HD1      TRP1529  44.946   4.565  -8.211
  205    HE1  TRP1529           HE1      TRP1529  45.501   5.437 -10.552
  206    HE3  TRP1529           HE3      TRP1529  49.823   3.027  -8.503
  207    HZ2  TRP1529           HZ2      TRP1529  47.707   5.340 -12.369
  208    HZ3  TRP1529           HZ3      TRP1529  51.126   3.389 -10.580
  209    HH2  TRP1529           HH2      TRP1529  50.080   4.533 -12.536
  210    H    MET1530           H        MET1530  48.927   0.462  -6.245
  211    HA   MET1530           HA       MET1530  48.667   0.704  -3.320
  212    HB2  MET1530           HB2      MET1530  49.054  -1.687  -2.973
  213    HB3  MET1530           HB3      MET1530  47.523  -1.411  -3.784
  214    HG2  MET1530           HG2      MET1530  50.093  -2.238  -5.191
  215    HG3  MET1530           HG3      MET1530  48.888  -3.362  -4.616
  216    HE1  MET1530           HE1      MET1530  46.050  -2.284  -5.447
  217    HE2  MET1530           HE2      MET1530  46.651  -3.939  -5.743
  218    HE3  MET1530           HE3      MET1530  45.921  -3.008  -7.069
  219    H    HIS1531           H        HIS1531  50.789   0.229  -2.207
  220    HA   HIS1531           HA       HIS1531  52.977   1.392  -3.620
  221    HB2  HIS1531           HB2      HIS1531  53.164  -0.399  -1.199
  222    HB3  HIS1531           HB3      HIS1531  54.393   0.721  -1.750
  223    HD2  HIS1531           HD2      HIS1531  53.258   3.478  -1.869
  224    HE1  HIS1531           HE1      HIS1531  51.255   2.770   1.829
  225    HE2  HIS1531           HE2      HIS1531  52.103   4.568   0.207
  226    H    ALA1532           H        ALA1532  54.893   0.561  -4.478
  227    HA   ALA1532           HA       ALA1532  54.760  -1.846  -5.967
  228    HB1  ALA1532           HB1      ALA1532  57.190  -0.208  -5.098
  229    HB2  ALA1532           HB2      ALA1532  56.126   0.148  -6.474
  230    HB3  ALA1532           HB3      ALA1532  57.111  -1.330  -6.472
  231    H    GLY1533           H        GLY1533  56.592  -1.219  -2.908
  232    HA2  GLY1533           HA2      GLY1533  57.668  -3.837  -2.635
  233    HA3  GLY1533           HA3      GLY1533  57.467  -2.658  -1.334
  234    H    CYS1534           HN       CYS1534  54.495  -2.555  -1.681
  235    HA   CYS1534           HA       CYS1534  53.697  -4.787  -0.059
  236    HB2  CYS1534           HB2      CYS1534  52.113  -2.567  -1.407
  237    HB3  CYS1534           HB3      CYS1534  51.464  -3.725  -0.227
  238    H    GLU1535           H        GLU1535  54.116  -4.524  -3.405
  239    HA   GLU1535           HA       GLU1535  52.784  -7.162  -3.823
  240    HB2  GLU1535           HB2      GLU1535  53.139  -4.863  -5.791
  241    HB3  GLU1535           HB3      GLU1535  52.614  -6.478  -6.257
  242    HG2  GLU1535           HG2      GLU1535  51.161  -4.621  -4.338
  243    HG3  GLU1535           HG3      GLU1535  50.735  -4.917  -6.009
  244    H    SER1536           H        SER1536  55.595  -6.210  -2.954
  245    HA   SER1536           HA       SER1536  57.697  -6.891  -3.086
  246    HB2  SER1536           HB2      SER1536  56.674  -9.290  -4.625
  247    HB3  SER1536           HB3      SER1536  58.237  -9.141  -3.814
  248    HG   SER1536           HG       SER1536  55.658  -9.140  -2.603
  249    H    LEU1537           H        LEU1537  56.729  -5.163  -5.415
  250    HA   LEU1537           HA       LEU1537  58.965  -5.710  -7.330
  251    HB2  LEU1537           HB2      LEU1537  56.880  -3.497  -7.378
  252    HB3  LEU1537           HB3      LEU1537  58.151  -3.750  -8.548
  253    HG   LEU1537           HG       LEU1537  56.403  -4.591  -9.685
  254   HD11  LEU1537          HD11      LEU1537  56.353  -7.038  -9.719
  255   HD12  LEU1537          HD12      LEU1537  57.249  -7.099  -8.202
  256   HD13  LEU1537          HD13      LEU1537  57.996  -6.412  -9.670
  257   HD21  LEU1537          HD21      LEU1537  54.495  -5.789  -8.826
  258   HD22  LEU1537          HD22      LEU1537  54.723  -4.254  -7.974
  259   HD23  LEU1537          HD23      LEU1537  55.198  -5.779  -7.201
  260    H    PHE1538           H        PHE1538  60.934  -4.856  -6.930
  261    HA   PHE1538           HA       PHE1538  61.246  -3.047  -4.657
  262    HB2  PHE1538           HB2      PHE1538  63.333  -4.280  -6.488
  263    HB3  PHE1538           HB3      PHE1538  63.625  -3.481  -4.943
  264    HD1  PHE1538           HD1      PHE1538  62.720  -4.389  -2.816
  265    HD2  PHE1538           HD2      PHE1538  62.737  -6.648  -6.491
  266    HE1  PHE1538           HE1      PHE1538  62.457  -6.475  -1.531
  267    HE2  PHE1538           HE2      PHE1538  62.447  -8.748  -5.197
  268    HZ   PHE1538           HZ       PHE1538  62.308  -8.674  -2.710
  269    H    THR1539           H        THR1539  61.028  -2.514  -8.075
  270    HA   THR1539           HA       THR1539  61.995   0.294  -7.787
  271    HB   THR1539           HB       THR1539  63.303   0.153  -9.788
  272    HG1  THR1539           HG1      THR1539  63.567  -1.952 -10.789
  273   HG21  THR1539          HG21      THR1539  65.124  -1.312  -9.218
  274   HG22  THR1539          HG22      THR1539  64.077  -2.325  -8.204
  275   HG23  THR1539          HG23      THR1539  64.470  -0.657  -7.711
  276    H    GLU1540           H        GLU1540  61.414   1.684  -9.647
  277    HA   GLU1540           HA       GLU1540  58.688   1.443 -10.510
  278    HB2  GLU1540           HB2      GLU1540  60.095   3.533 -10.300
  279    HB3  GLU1540           HB3      GLU1540  60.953   3.034 -11.767
  280    HG2  GLU1540           HG2      GLU1540  58.708   3.043 -12.956
  281    HG3  GLU1540           HG3      GLU1540  58.004   3.716 -11.483
  282    H    ASP1541           H        ASP1541  61.753   0.356 -11.993
  283    HA   ASP1541           HA       ASP1541  60.609  -0.395 -14.547
  284    HB2  ASP1541           HB2      ASP1541  63.115  -1.419 -13.165
  285    HB3  ASP1541           HB3      ASP1541  62.681  -1.684 -14.846
  286    H    ASP1542           H        ASP1542  61.189  -2.248 -11.481
  287    HA   ASP1542           HA       ASP1542  60.189  -4.751 -12.434
  288    HB2  ASP1542           HB2      ASP1542  60.359  -3.457  -9.691
  289    HB3  ASP1542           HB3      ASP1542  59.715  -5.056  -9.951
  290    H    VAL1543           H        VAL1543  58.544  -1.918 -10.994
  291    HA   VAL1543           HA       VAL1543  55.872  -3.036 -11.015
  292    HB   VAL1543           HB       VAL1543  56.954  -0.205 -11.011
  293   HG11  VAL1543          HG11      VAL1543  54.061  -1.103 -10.990
  294   HG12  VAL1543          HG12      VAL1543  54.824  -0.016 -12.141
  295   HG13  VAL1543          HG13      VAL1543  54.616   0.517 -10.475
  296   HG21  VAL1543          HG21      VAL1543  55.915  -0.246  -8.731
  297   HG22  VAL1543          HG22      VAL1543  57.246  -1.398  -8.927
  298   HG23  VAL1543          HG23      VAL1543  55.567  -1.972  -8.955
  299    H    GLU1544           H        GLU1544  57.631  -1.087 -13.466
  300    HA   GLU1544           HA       GLU1544  55.462  -1.054 -15.338
  301    HB2  GLU1544           HB2      GLU1544  57.402   0.453 -15.471
  302    HB3  GLU1544           HB3      GLU1544  58.468  -0.919 -15.822
  303    HG2  GLU1544           HG2      GLU1544  57.309  -1.336 -17.936
  304    HG3  GLU1544           HG3      GLU1544  56.079  -0.133 -17.538
  305    H    GLN1545           H        GLN1545  58.097  -3.406 -14.818
  306    HA   GLN1545           HA       GLN1545  57.446  -5.218 -16.935
  307    HB2  GLN1545           HB2      GLN1545  59.533  -5.337 -15.890
  308    HB3  GLN1545           HB3      GLN1545  58.896  -5.437 -14.276
  309    HG2  GLN1545           HG2      GLN1545  58.388  -7.643 -16.308
  310    HG3  GLN1545           HG3      GLN1545  59.900  -7.536 -15.421
  311   HE21  GLN1545          HE21      GLN1545  58.092  -6.514 -12.900
  312   HE22  GLN1545          HE22      GLN1545  57.566  -8.085 -12.329
  313    H    ALA1546           H        ALA1546  56.256  -5.067 -13.530
  314    HA   ALA1546           HA       ALA1546  54.592  -7.399 -13.759
  315    HB1  ALA1546           HB1      ALA1546  55.361  -6.508 -11.629
  316    HB2  ALA1546           HB2      ALA1546  53.587  -6.527 -11.658
  317    HB3  ALA1546           HB3      ALA1546  54.472  -4.997 -11.890
  318    H    ALA1547           H        ALA1547  53.913  -3.921 -14.309
  319    HA   ALA1547           HA       ALA1547  51.123  -4.203 -14.856
  320    HB1  ALA1547           HB1      ALA1547  52.247  -2.054 -14.357
  321    HB2  ALA1547           HB2      ALA1547  51.421  -1.982 -15.931
  322    HB3  ALA1547           HB3      ALA1547  53.182  -2.192 -15.870
  323    H    ASP1548           H        ASP1548  53.994  -4.292 -17.056
  324    HA   ASP1548           HA       ASP1548  52.513  -4.723 -19.474
  325    HB2  ASP1548           HB2      ASP1548  54.868  -3.925 -19.312
  326    HB3  ASP1548           HB3      ASP1548  55.363  -5.515 -18.732
  327    H    GLU1549           H        GLU1549  53.646  -6.925 -16.970
  328    HA   GLU1549           HA       GLU1549  52.914  -9.388 -18.394
  329    HB2  GLU1549           HB2      GLU1549  53.748  -8.773 -15.548
  330    HB3  GLU1549           HB3      GLU1549  53.324 -10.394 -16.054
  331    HG2  GLU1549           HG2      GLU1549  55.437  -8.871 -17.612
  332    HG3  GLU1549           HG3      GLU1549  55.798  -9.591 -16.053
  333    H    GLY1550           H        GLY1550  50.966  -7.051 -17.306
  334    HA2  GLY1550           HA2      GLY1550  48.656  -7.016 -17.162
  335    HA3  GLY1550           HA3      GLY1550  48.630  -8.758 -17.372
  336    H    PHE1551           H        PHE1551  50.331  -7.164 -14.666
  337    HA   PHE1551           HA       PHE1551  49.500  -8.736 -12.642
  338    HB2  PHE1551           HB2      PHE1551  51.238  -7.238 -12.247
  339    HB3  PHE1551           HB3      PHE1551  50.295  -5.836 -12.739
  340    HD1  PHE1551           HD1      PHE1551  50.358  -8.491 -10.052
  341    HD2  PHE1551           HD2      PHE1551  49.386  -4.427 -11.121
  342    HE1  PHE1551           HE1      PHE1551  49.646  -8.037  -7.716
  343    HE2  PHE1551           HE2      PHE1551  48.664  -3.987  -8.796
  344    HZ   PHE1551           HZ       PHE1551  48.772  -5.793  -7.094
  345    H    ASP1552           H        ASP1552  47.930  -9.126 -11.356
  346    HA   ASP1552           HA       ASP1552  45.396  -7.597 -11.352
  347    HB2  ASP1552           HB2      ASP1552  44.352  -9.793 -10.924
  348    HB3  ASP1552           HB3      ASP1552  45.092  -9.684 -12.507
  349    H    CYS1553           HN       CYS1553  44.591  -6.982  -9.432
  350    HA   CYS1553           HA       CYS1553  45.912  -7.848  -6.932
  351    HB2  CYS1553           HB2      CYS1553  45.103  -5.974  -5.933
  352    HB3  CYS1553           HB3      CYS1553  45.372  -5.415  -7.557
  353    H    VAL1554           H        VAL1554  43.827  -7.597  -5.196
  354    HA   VAL1554           HA       VAL1554  42.500 -10.169  -5.472
  355    HB   VAL1554           HB       VAL1554  41.865  -8.166  -3.297
  356   HG11  VAL1554          HG11      VAL1554  41.575 -10.331  -2.077
  357   HG12  VAL1554          HG12      VAL1554  42.014 -11.194  -3.582
  358   HG13  VAL1554          HG13      VAL1554  40.528 -10.216  -3.508
  359   HG21  VAL1554          HG21      VAL1554  43.673  -9.270  -1.946
  360   HG22  VAL1554          HG22      VAL1554  44.320  -8.278  -3.251
  361   HG23  VAL1554          HG23      VAL1554  44.271 -10.050  -3.430
  362    H    SER1555           H        SER1555  41.487  -6.784  -5.923
  363    HA   SER1555           HA       SER1555  38.643  -7.495  -6.359
  364    HB2  SER1555           HB2      SER1555  40.155  -4.877  -6.639
  365    HB3  SER1555           HB3      SER1555  38.440  -5.094  -7.013
  366    HG   SER1555           HG       SER1555  39.722  -5.420  -4.477
  367    H    CYS1556           HN       CYS1556  41.537  -7.427  -8.270
  368    HA   CYS1556           HA       CYS1556  40.376  -7.007 -10.860
  369    HB2  CYS1556           HB2      CYS1556  42.887  -8.228  -9.733
  370    HB3  CYS1556           HB3      CYS1556  42.440  -8.549 -11.411
  371    H    GLN1557           H        GLN1557  40.566  -9.779  -8.661
  372    HA   GLN1557           HA       GLN1557  39.872 -11.814 -10.463
  373    HB2  GLN1557           HB2      GLN1557  39.092 -11.854  -7.535
  374    HB3  GLN1557           HB3      GLN1557  39.420 -13.191  -8.609
  375    HG2  GLN1557           HG2      GLN1557  41.417 -11.191  -7.525
  376    HG3  GLN1557           HG3      GLN1557  41.252 -12.871  -7.046
  377   HE21  GLN1557          HE21      GLN1557  43.436 -11.093  -8.380
  378   HE22  GLN1557          HE22      GLN1557  44.020 -12.143  -9.660
  379    HA   PRO1558           HA       PRO1558  35.180 -11.272  -9.679
  380    HB2  PRO1558           HB2      PRO1558  34.175  -8.986  -8.533
  381    HB3  PRO1558           HB3      PRO1558  34.545 -10.502  -7.656
  382    HG2  PRO1558           HG2      PRO1558  36.275  -8.034  -7.912
  383    HG3  PRO1558           HG3      PRO1558  35.889  -9.003  -6.455
  384    HD2  PRO1558           HD2      PRO1558  38.221  -9.400  -7.763
  385    HD3  PRO1558           HD3      PRO1558  37.281 -10.746  -7.079
  386    H    TYR1559           H        TYR1559  37.163  -8.349 -10.478
  387    HA   TYR1559           HA       TYR1559  35.253  -7.389 -12.451
  388    HB2  TYR1559           HB2      TYR1559  38.149  -6.811 -11.845
  389    HB3  TYR1559           HB3      TYR1559  37.437  -6.257 -13.344
  390    HD1  TYR1559           HD1      TYR1559  36.343  -6.313  -9.703
  391    HD2  TYR1559           HD2      TYR1559  36.752  -4.050 -13.353
  392    HE1  TYR1559           HE1      TYR1559  35.451  -4.328  -8.553
  393    HE2  TYR1559           HE2      TYR1559  35.827  -2.051 -12.206
  394    HH   TYR1559           HH       TYR1559  34.669  -1.310 -10.243
  395    H    VAL1560           H        VAL1560  38.202  -9.413 -12.784
  396    HA   VAL1560           HA       VAL1560  37.878  -9.645 -15.641
  397    HB   VAL1560           HB       VAL1560  40.032  -9.493 -14.318
  398   HG11  VAL1560          HG11      VAL1560  41.097 -11.428 -13.471
  399   HG12  VAL1560          HG12      VAL1560  39.861 -12.516 -14.127
  400   HG13  VAL1560          HG13      VAL1560  39.469 -11.459 -12.766
  401   HG21  VAL1560          HG21      VAL1560  39.973  -9.939 -16.734
  402   HG22  VAL1560          HG22      VAL1560  39.859 -11.686 -16.416
  403   HG23  VAL1560          HG23      VAL1560  41.309 -10.779 -15.937
  404    H    VAL1561           H        VAL1561  37.084 -11.886 -13.007
  405    HA   VAL1561           HA       VAL1561  35.763 -13.688 -14.979
  406    HB   VAL1561           HB       VAL1561  36.437 -15.647 -13.582
  407   HG11  VAL1561          HG11      VAL1561  37.402 -15.203 -15.777
  408   HG12  VAL1561          HG12      VAL1561  38.579 -15.950 -14.686
  409   HG13  VAL1561          HG13      VAL1561  38.675 -14.215 -15.045
  410   HG21  VAL1561          HG21      VAL1561  37.295 -14.471 -11.552
  411   HG22  VAL1561          HG22      VAL1561  38.642 -13.835 -12.508
  412   HG23  VAL1561          HG23      VAL1561  38.471 -15.583 -12.258
  413    H    LYS1562           H        LYS1562  34.240 -11.936 -14.151
  414    HA   LYS1562           HA       LYS1562  33.135 -11.920 -11.591
  415    HB2  LYS1562           HB2      LYS1562  32.790 -10.244 -13.443
  416    HB3  LYS1562           HB3      LYS1562  31.650 -11.359 -14.200
  417    HG2  LYS1562           HG2      LYS1562  30.204 -11.249 -12.179
  418    HG3  LYS1562           HG3      LYS1562  31.386 -10.185 -11.391
  419    HD2  LYS1562           HD2      LYS1562  31.037  -8.486 -13.169
  420    HD3  LYS1562           HD3      LYS1562  29.864  -9.563 -13.961
  421    HE2  LYS1562           HE2      LYS1562  28.455  -9.520 -11.901
  422    HE3  LYS1562           HE3      LYS1562  29.618  -8.428 -11.134
  423    HZ1  LYS1562           HZ1      LYS1562  29.125  -6.788 -12.890
  424    HZ2  LYS1562           HZ2      LYS1562  27.752  -7.196 -12.105
  425    HZ3  LYS1562           HZ3      LYS1562  28.047  -7.803 -13.588
  426    HA   LYS  12           HA       LYS  12  46.249   5.611 -16.189
  427    H    GLY  13           H        GLY  13  48.739   5.445 -15.657
  428    HA2  GLY  13           HA2      GLY  13  49.761   3.845 -17.794
  429    HA3  GLY  13           HA3      GLY  13  50.679   4.935 -16.763
  430    H    GLY  14           H        GLY  14  49.248   2.620 -14.753
  431    HA2  GLY  14           HA2      GLY  14  49.905   0.482 -13.983
  432    HA3  GLY  14           HA3      GLY  14  51.198   0.460 -15.167
  433    H    ALA  15           H        ALA  15  52.267   3.106 -14.181
  434    HA   ALA  15           HA       ALA  15  53.428   2.327 -11.547
  435    HB1  ALA  15           HB1      ALA  15  54.999   3.393 -13.935
  436    HB2  ALA  15           HB2      ALA  15  54.910   1.683 -13.510
  437    HB3  ALA  15           HB3      ALA  15  55.644   2.841 -12.375
  438   HH31  ALY  16           H26      ALY  16  46.316  10.938  -8.820
  439   HH32  ALY  16           H27      ALY  16  46.009   9.290  -9.434
  440   HH33  ALY  16           H28      ALY  16  46.058  10.664 -10.559
  441    HZ   ALY  16           HZ1      ALY  16  48.155   9.650  -7.874
  442    HE3  ALY  16           HE3      ALY  16  50.565  10.024  -9.542
  443    HE2  ALY  16           HE2      ALY  16  50.517   9.873  -7.777
  444    HD3  ALY  16           HD3      ALY  16  50.195   7.485  -7.882
  445    HD2  ALY  16           HD2      ALY  16  49.785   7.568  -9.611
  446    HG3  ALY  16           HG3      ALY  16  52.145   8.444 -10.037
  447    HG2  ALY  16           HG2      ALY  16  52.528   8.035  -8.350
  448    HB3  ALY  16           HB3      ALY  16  51.968   5.666  -8.800
  449    HB2  ALY  16           HB2      ALY  16  51.405   6.105 -10.420
  450    HA   ALY  16           HA       ALY  16  53.678   6.814 -11.049
  451    H    ALY  16           H        ALY  16  53.792   3.980 -10.124
  452    H    ARG  17           H        ARG  17  55.359   7.925 -10.231
  453    HA   ARG  17           HA       ARG  17  56.613   7.108  -7.657
  454    HB2  ARG  17           HB2      ARG  17  57.562   5.785  -9.536
  455    HB3  ARG  17           HB3      ARG  17  58.044   7.250 -10.356
  456    HG2  ARG  17           HG2      ARG  17  59.058   6.650  -7.544
  457    HG3  ARG  17           HG3      ARG  17  59.747   5.802  -8.928
  458    HD2  ARG  17           HD2      ARG  17  59.724   8.806  -8.565
  459    HD3  ARG  17           HD3      ARG  17  61.106   7.750  -8.292
  460    HE   ARG  17           HE       ARG  17  60.538   7.097 -10.841
  461   HH11  ARG  17          HH11      ARG  17  61.140   7.974 -12.678
  462   HH12  ARG  17          HH12      ARG  17  61.440   9.691 -12.832
  463   HH21  ARG  17          HH21      ARG  17  60.601  10.383  -9.543
  464   HH22  ARG  17          HH22      ARG  17  61.174  11.030 -11.062
  465    H    HIS  18           H        HIS  18  57.745   8.670  -6.591
  466    HA   HIS  18           HA       HIS  18  56.665  11.278  -6.854
  467    HB2  HIS  18           HB2      HIS  18  57.274  10.075  -4.758
  468    HB3  HIS  18           HB3      HIS  18  58.975  10.318  -5.131
  469    HD2  HIS  18           HD2      HIS  18  55.844  12.182  -3.914
  470    HE1  HIS  18           HE1      HIS  18  59.097  14.906  -3.472
  471    HE2  HIS  18           HE2      HIS  18  56.631  14.511  -2.961
  472    H    ARG  19           H        ARG  19  57.556  13.310  -7.242
  473    HA   ARG  19           HA       ARG  19  59.261  13.649  -9.474
  Start of MODEL   10
    1    H    SER1503           H        SER1503  40.517   6.637  -5.210
    2    HA   SER1503           HA       SER1503  41.310   4.440  -5.681
    3    HB2  SER1503           HB2      SER1503  40.950   5.941  -7.713
    4    HB3  SER1503           HB3      SER1503  42.711   6.091  -7.807
    5    HG   SER1503           HG       SER1503  42.656   4.205  -8.803
    6    H    LEU1504           H        LEU1504  43.647   6.612  -4.637
    7    HA   LEU1504           HA       LEU1504  45.744   4.496  -4.390
    8    HB2  LEU1504           HB2      LEU1504  47.458   5.993  -5.230
    9    HB3  LEU1504           HB3      LEU1504  46.168   5.791  -6.396
   10    HG   LEU1504           HG       LEU1504  45.259   8.085  -5.417
   11   HD11  LEU1504          HD11      LEU1504  48.247   8.284  -4.836
   12   HD12  LEU1504          HD12      LEU1504  46.970   8.346  -3.605
   13   HD13  LEU1504          HD13      LEU1504  47.082   9.624  -4.808
   14   HD21  LEU1504          HD21      LEU1504  46.599   9.260  -7.133
   15   HD22  LEU1504          HD22      LEU1504  45.991   7.706  -7.726
   16   HD23  LEU1504          HD23      LEU1504  47.693   7.852  -7.221
   17    H    VAL1505           H        VAL1505  44.040   6.959  -2.751
   18    HA   VAL1505           HA       VAL1505  46.225   7.852  -1.045
   19    HB   VAL1505           HB       VAL1505  43.245   8.415  -0.890
   20   HG11  VAL1505          HG11      VAL1505  44.220   9.082   1.236
   21   HG12  VAL1505          HG12      VAL1505  43.966  10.532   0.283
   22   HG13  VAL1505          HG13      VAL1505  45.602   9.848   0.415
   23   HG21  VAL1505          HG21      VAL1505  43.853  10.564  -2.012
   24   HG22  VAL1505          HG22      VAL1505  44.201   9.188  -3.043
   25   HG23  VAL1505          HG23      VAL1505  45.526   9.996  -2.171
   26    H    THR1506           H        THR1506  44.578   4.955  -0.939
   27    HA   THR1506           HA       THR1506  45.117   4.548   1.917
   28    HB   THR1506           HB       THR1506  42.535   3.608   0.603
   29    HG1  THR1506           HG1      THR1506  42.345   5.790   1.060
   30   HG21  THR1506          HG21      THR1506  43.614   2.202   2.541
   31   HG22  THR1506          HG22      THR1506  41.924   2.692   2.690
   32   HG23  THR1506          HG23      THR1506  43.176   3.572   3.571
   33    H    CYS1507           HN       CYS1507  46.638   3.071   1.770
   34    HA   CYS1507           HA       CYS1507  46.368   0.775  -0.114
   35    HB2  CYS1507           HB2      CYS1507  48.396   2.103  -0.384
   36    HB3  CYS1507           HB3      CYS1507  48.795   1.833   1.321
   37    HA   PRO1508           HA       PRO1508  44.916  -0.996   3.927
   38    HB2  PRO1508           HB2      PRO1508  44.187  -3.031   1.787
   39    HB3  PRO1508           HB3      PRO1508  43.343  -2.679   3.326
   40    HG2  PRO1508           HG2      PRO1508  42.442  -1.491   1.073
   41    HG3  PRO1508           HG3      PRO1508  42.738  -0.437   2.489
   42    HD2  PRO1508           HD2      PRO1508  44.571  -1.009   0.117
   43    HD3  PRO1508           HD3      PRO1508  44.065   0.560   0.815
   44    H    ILE1509           H        ILE1509  47.228  -2.062   1.574
   45    HA   ILE1509           HA       ILE1509  47.926  -4.570   2.877
   46    HB   ILE1509           HB       ILE1509  49.689  -3.005   0.975
   47   HG12  ILE1509          HG12      ILE1509  47.467  -5.008   0.326
   48   HG13  ILE1509          HG13      ILE1509  47.479  -3.295  -0.101
   49   HG21  ILE1509          HG21      ILE1509  49.449  -5.956   1.725
   50   HG22  ILE1509          HG22      ILE1509  50.755  -4.860   2.229
   51   HG23  ILE1509          HG23      ILE1509  50.597  -5.295   0.537
   52   HD11  ILE1509          HD11      ILE1509  49.275  -5.450  -1.247
   53   HD12  ILE1509          HD12      ILE1509  49.518  -3.703  -1.514
   54   HD13  ILE1509          HD13      ILE1509  48.037  -4.505  -2.070
   55    H    CYS1510           HN       CYS1510  49.207  -1.229   3.083
   56    HA   CYS1510           HA       CYS1510  50.776  -2.001   5.486
   57    HB2  CYS1510           HB2      CYS1510  51.824   0.210   5.250
   58    HB3  CYS1510           HB3      CYS1510  52.149  -0.894   3.915
   59    H    HIS1511           H        HIS1511  47.759  -0.987   4.754
   60    HA   HIS1511           HA       HIS1511  45.986  -0.103   5.784
   61    HB2  HIS1511           HB2      HIS1511  46.769  -1.547   7.706
   62    HB3  HIS1511           HB3      HIS1511  47.387  -0.050   8.424
   63    HD2  HIS1511           HD2      HIS1511  45.703   1.053  10.046
   64    HE1  HIS1511           HE1      HIS1511  42.022  -0.307   8.364
   65    HE2  HIS1511           HE2      HIS1511  43.072   1.040  10.254
   66    H    ALA1512           H        ALA1512  47.504   1.478   4.375
   67    HA   ALA1512           HA       ALA1512  47.399   3.488   3.584
   68    HB1  ALA1512           HB1      ALA1512  45.117   3.281   4.513
   69    HB2  ALA1512           HB2      ALA1512  45.651   4.955   4.207
   70    HB3  ALA1512           HB3      ALA1512  45.614   4.316   5.862
   71    HA   PRO1513           HA       PRO1513  50.151   6.097   6.520
   72    HB2  PRO1513           HB2      PRO1513  52.485   4.859   7.063
   73    HB3  PRO1513           HB3      PRO1513  51.031   4.585   8.060
   74    HG2  PRO1513           HG2      PRO1513  52.031   2.851   5.764
   75    HG3  PRO1513           HG3      PRO1513  51.597   2.338   7.429
   76    HD2  PRO1513           HD2      PRO1513  49.807   2.196   5.368
   77    HD3  PRO1513           HD3      PRO1513  49.328   2.613   7.041
   78    H    TYR1514           H        TYR1514  49.706   6.693   4.173
   79    HA   TYR1514           HA       TYR1514  51.395   5.897   2.039
   80    HB2  TYR1514           HB2      TYR1514  49.085   6.916   1.937
   81    HB3  TYR1514           HB3      TYR1514  49.807   8.478   2.284
   82    HD1  TYR1514           HD1      TYR1514  51.430   9.501   0.592
   83    HD2  TYR1514           HD2      TYR1514  49.083   5.972  -0.237
   84    HE1  TYR1514           HE1      TYR1514  51.844   9.791  -1.852
   85    HE2  TYR1514           HE2      TYR1514  49.482   6.266  -2.659
   86    HH   TYR1514           HH       TYR1514  50.526   7.551  -4.305
   87    H    VAL1515           H        VAL1515  53.269   6.704   1.133
   88    HA   VAL1515           HA       VAL1515  54.418   9.263   2.048
   89    HB   VAL1515           HB       VAL1515  56.247   6.856   1.916
   90   HG11  VAL1515          HG11      VAL1515  57.326   9.063   1.815
   91   HG12  VAL1515          HG12      VAL1515  57.686   8.290   3.346
   92   HG13  VAL1515          HG13      VAL1515  56.460   9.575   3.282
   93   HG21  VAL1515          HG21      VAL1515  56.298   6.739   4.379
   94   HG22  VAL1515          HG22      VAL1515  54.747   6.245   3.719
   95   HG23  VAL1515          HG23      VAL1515  54.915   7.857   4.459
   96    H    GLU1516           H        GLU1516  55.771  10.237   0.582
   97    HA   GLU1516           HA       GLU1516  55.659   9.644  -2.217
   98    HB2  GLU1516           HB2      GLU1516  57.578  11.367  -0.575
   99    HB3  GLU1516           HB3      GLU1516  57.441  11.368  -2.315
  100    HG2  GLU1516           HG2      GLU1516  56.261  13.266  -1.601
  101    HG3  GLU1516           HG3      GLU1516  55.066  12.099  -2.145
  102    H    GLU1517           H        GLU1517  57.558   9.313  -3.534
  103    HA   GLU1517           HA       GLU1517  59.187   8.046  -4.391
  104    HB2  GLU1517           HB2      GLU1517  60.457   8.396  -1.660
  105    HB3  GLU1517           HB3      GLU1517  61.306   7.832  -3.083
  106    HG2  GLU1517           HG2      GLU1517  59.957  10.550  -2.845
  107    HG3  GLU1517           HG3      GLU1517  61.660  10.232  -2.556
  108    H    ASP1518           H        ASP1518  57.380   6.444  -1.981
  109    HA   ASP1518           HA       ASP1518  58.702   3.892  -2.073
  110    HB2  ASP1518           HB2      ASP1518  55.802   4.665  -1.599
  111    HB3  ASP1518           HB3      ASP1518  56.389   3.011  -1.500
  112    H    LEU1519           H        LEU1519  56.721   5.486  -4.395
  113    HA   LEU1519           HA       LEU1519  55.855   5.102  -6.373
  114    HB2  LEU1519           HB2      LEU1519  57.141   4.293  -8.012
  115    HB3  LEU1519           HB3      LEU1519  58.316   4.577  -6.755
  116    HG   LEU1519           HG       LEU1519  57.572   1.864  -6.372
  117   HD11  LEU1519          HD11      LEU1519  57.870   0.863  -8.592
  118   HD12  LEU1519          HD12      LEU1519  57.844   2.480  -9.340
  119   HD13  LEU1519          HD13      LEU1519  56.395   1.849  -8.528
  120   HD21  LEU1519          HD21      LEU1519  59.805   1.372  -7.266
  121   HD22  LEU1519          HD22      LEU1519  59.834   2.761  -6.172
  122   HD23  LEU1519          HD23      LEU1519  59.908   3.029  -7.926
  123    H    LEU1520           H        LEU1520  54.469   3.880  -7.786
  124    HA   LEU1520           HA       LEU1520  53.119   1.666  -6.314
  125    HB2  LEU1520           HB2      LEU1520  51.686   4.116  -7.407
  126    HB3  LEU1520           HB3      LEU1520  50.976   2.743  -6.580
  127    HG   LEU1520           HG       LEU1520  52.745   3.521  -4.658
  128   HD11  LEU1520          HD11      LEU1520  53.467   5.549  -5.993
  129   HD12  LEU1520          HD12      LEU1520  52.702   5.963  -4.454
  130   HD13  LEU1520          HD13      LEU1520  51.788   6.105  -5.978
  131   HD21  LEU1520          HD21      LEU1520  50.905   4.612  -3.534
  132   HD22  LEU1520          HD22      LEU1520  50.363   3.124  -4.314
  133   HD23  LEU1520          HD23      LEU1520  49.981   4.701  -5.061
  134    H    ILE1521           H        ILE1521  51.619   0.465  -7.352
  135    HA   ILE1521           HA       ILE1521  51.719   0.331 -10.316
  136    HB   ILE1521           HB       ILE1521  53.337  -1.244  -9.324
  137   HG12  ILE1521          HG12      ILE1521  50.985  -2.692 -10.596
  138   HG13  ILE1521          HG13      ILE1521  52.130  -1.673 -11.473
  139   HG21  ILE1521          HG21      ILE1521  50.942  -2.608  -8.018
  140   HG22  ILE1521          HG22      ILE1521  52.212  -1.711  -7.166
  141   HG23  ILE1521          HG23      ILE1521  52.613  -3.196  -8.017
  142   HD11  ILE1521          HD11      ILE1521  52.809  -4.237 -10.011
  143   HD12  ILE1521          HD12      ILE1521  53.995  -3.146 -10.748
  144   HD13  ILE1521          HD13      ILE1521  52.781  -3.948 -11.761
  145    H    GLN1522           H        GLN1522  49.863  -0.551 -11.300
  146    HA   GLN1522           HA       GLN1522  47.412  -0.273  -9.619
  147    HB2  GLN1522           HB2      GLN1522  48.120   1.514 -11.343
  148    HB3  GLN1522           HB3      GLN1522  47.756   0.316 -12.569
  149    HG2  GLN1522           HG2      GLN1522  45.386   0.216 -11.584
  150    HG3  GLN1522           HG3      GLN1522  45.855   1.576 -10.560
  151   HE21  GLN1522          HE21      GLN1522  44.256   2.946 -11.545
  152   HE22  GLN1522          HE22      GLN1522  44.457   3.525 -13.204
  153    H    CYS1523           HN       CYS1523  45.714  -1.682  -9.801
  154    HA   CYS1523           HA       CYS1523  46.029  -4.162 -11.307
  155    HB2  CYS1523           HB2      CYS1523  44.962  -4.219  -9.201
  156    HB3  CYS1523           HB3      CYS1523  43.757  -3.000  -9.670
  157    H    ARG1524           H        ARG1524  45.471  -4.512 -13.352
  158    HA   ARG1524           HA       ARG1524  44.415  -2.471 -15.086
  159    HB2  ARG1524           HB2      ARG1524  44.514  -4.152 -16.829
  160    HB3  ARG1524           HB3      ARG1524  45.948  -4.255 -15.808
  161    HG2  ARG1524           HG2      ARG1524  44.822  -6.186 -14.587
  162    HG3  ARG1524           HG3      ARG1524  43.526  -6.133 -15.779
  163    HD2  ARG1524           HD2      ARG1524  44.924  -6.818 -17.538
  164    HD3  ARG1524           HD3      ARG1524  46.408  -6.343 -16.681
  165    HE   ARG1524           HE       ARG1524  45.396  -8.274 -15.028
  166   HH11  ARG1524          HH11      ARG1524  46.047  -8.441 -18.499
  167   HH12  ARG1524          HH12      ARG1524  46.564 -10.098 -18.381
  168   HH21  ARG1524          HH21      ARG1524  46.216 -10.221 -14.943
  169   HH22  ARG1524          HH22      ARG1524  46.594 -11.137 -16.396
  170    H    HIS1525           H        HIS1525  42.735  -4.719 -13.075
  171    HA   HIS1525           HA       HIS1525  40.197  -4.499 -14.618
  172    HB2  HIS1525           HB2      HIS1525  40.884  -6.710 -13.765
  173    HB3  HIS1525           HB3      HIS1525  40.877  -6.083 -12.115
  174    HD2  HIS1525           HD2      HIS1525  38.640  -6.317 -10.834
  175    HE1  HIS1525           HE1      HIS1525  35.972  -6.952 -14.103
  176    HE2  HIS1525           HE2      HIS1525  36.162  -6.847 -11.562
  177    H    CYS1526           HN       CYS1526  41.420  -3.783 -11.312
  178    HA   CYS1526           HA       CYS1526  38.995  -2.397 -10.597
  179    HB2  CYS1526           HB2      CYS1526  41.629  -2.933  -9.169
  180    HB3  CYS1526           HB3      CYS1526  40.215  -2.180  -8.419
  181    H    GLU1527           H        GLU1527  42.127  -1.312 -11.744
  182    HA   GLU1527           HA       GLU1527  43.169   0.632 -11.971
  183    HB2  GLU1527           HB2      GLU1527  40.421   1.884 -11.830
  184    HB3  GLU1527           HB3      GLU1527  41.896   2.798 -12.128
  185    HG2  GLU1527           HG2      GLU1527  42.438   1.353 -14.060
  186    HG3  GLU1527           HG3      GLU1527  40.923   0.488 -13.830
  187    H    ARG1528           H        ARG1528  42.095  -0.271  -9.052
  188    HA   ARG1528           HA       ARG1528  43.041   1.987  -7.439
  189    HB2  ARG1528           HB2      ARG1528  42.289  -0.897  -6.880
  190    HB3  ARG1528           HB3      ARG1528  43.252  -0.009  -5.715
  191    HG2  ARG1528           HG2      ARG1528  40.998   0.110  -5.031
  192    HG3  ARG1528           HG3      ARG1528  41.527   1.723  -5.484
  193    HD2  ARG1528           HD2      ARG1528  39.925  -0.048  -7.374
  194    HD3  ARG1528           HD3      ARG1528  39.160   0.932  -6.113
  195    HE   ARG1528           HE       ARG1528  40.914   2.595  -7.664
  196   HH11  ARG1528          HH11      ARG1528  37.743   1.108  -7.919
  197   HH12  ARG1528          HH12      ARG1528  37.171   2.326  -9.023
  198   HH21  ARG1528          HH21      ARG1528  40.177   4.037  -9.050
  199   HH22  ARG1528          HH22      ARG1528  38.546   3.963  -9.693
  200    H    TRP1529           H        TRP1529  44.911   2.278  -6.443
  201    HA   TRP1529           HA       TRP1529  47.316   0.971  -7.589
  202    HB2  TRP1529           HB2      TRP1529  46.878   3.599  -6.145
  203    HB3  TRP1529           HB3      TRP1529  48.427   3.030  -6.730
  204    HD1  TRP1529           HD1      TRP1529  45.045   4.279  -8.055
  205    HE1  TRP1529           HE1      TRP1529  45.298   4.986 -10.511
  206    HE3  TRP1529           HE3      TRP1529  49.844   2.711  -8.830
  207    HZ2  TRP1529           HZ2      TRP1529  47.360   4.973 -12.504
  208    HZ3  TRP1529           HZ3      TRP1529  50.927   3.035 -11.024
  209    HH2  TRP1529           HH2      TRP1529  49.720   4.185 -12.874
  210    H    MET1530           H        MET1530  48.936   0.149  -6.388
  211    HA   MET1530           HA       MET1530  48.847   0.136  -3.396
  212    HB2  MET1530           HB2      MET1530  49.419  -2.166  -5.318
  213    HB3  MET1530           HB3      MET1530  49.693  -2.236  -3.581
  214    HG2  MET1530           HG2      MET1530  47.487  -2.421  -3.078
  215    HG3  MET1530           HG3      MET1530  46.933  -1.401  -4.371
  216    HE1  MET1530           HE1      MET1530  46.073  -2.094  -6.652
  217    HE2  MET1530           HE2      MET1530  46.531  -3.609  -7.451
  218    HE3  MET1530           HE3      MET1530  47.777  -2.404  -7.055
  219    H    HIS1531           H        HIS1531  50.973   0.160  -2.404
  220    HA   HIS1531           HA       HIS1531  53.101   1.307  -3.989
  221    HB2  HIS1531           HB2      HIS1531  53.409  -0.032  -1.299
  222    HB3  HIS1531           HB3      HIS1531  54.511   1.105  -2.056
  223    HD2  HIS1531           HD2      HIS1531  53.438   3.723  -2.409
  224    HE1  HIS1531           HE1      HIS1531  50.870   3.363   0.965
  225    HE2  HIS1531           HE2      HIS1531  51.908   4.996  -0.714
  226    H    ALA1532           H        ALA1532  55.056   0.414  -4.695
  227    HA   ALA1532           HA       ALA1532  54.917  -2.089  -5.948
  228    HB1  ALA1532           HB1      ALA1532  57.299  -1.693  -6.426
  229    HB2  ALA1532           HB2      ALA1532  57.402  -0.502  -5.119
  230    HB3  ALA1532           HB3      ALA1532  56.395  -0.171  -6.536
  231    H    GLY1533           H        GLY1533  56.821  -1.323  -2.990
  232    HA2  GLY1533           HA2      GLY1533  57.668  -4.025  -2.514
  233    HA3  GLY1533           HA3      GLY1533  57.797  -2.661  -1.398
  234    H    CYS1534           HN       CYS1534  54.703  -2.365  -1.605
  235    HA   CYS1534           HA       CYS1534  53.942  -4.042   0.591
  236    HB2  CYS1534           HB2      CYS1534  52.422  -2.239  -1.321
  237    HB3  CYS1534           HB3      CYS1534  51.603  -3.244  -0.126
  238    H    GLU1535           H        GLU1535  53.357  -4.322  -2.934
  239    HA   GLU1535           HA       GLU1535  52.173  -6.991  -2.528
  240    HB2  GLU1535           HB2      GLU1535  52.668  -5.272  -4.952
  241    HB3  GLU1535           HB3      GLU1535  52.197  -6.968  -5.111
  242    HG2  GLU1535           HG2      GLU1535  50.606  -5.170  -3.270
  243    HG3  GLU1535           HG3      GLU1535  50.386  -5.029  -4.988
  244    H    SER1536           H        SER1536  55.143  -5.888  -4.291
  245    HA   SER1536           HA       SER1536  56.722  -8.045  -3.288
  246    HB2  SER1536           HB2      SER1536  56.937  -9.463  -5.313
  247    HB3  SER1536           HB3      SER1536  55.320  -9.554  -4.623
  248    HG   SER1536           HG       SER1536  55.207  -9.300  -6.879
  249    H    LEU1537           H        LEU1537  56.254  -5.891  -6.105
  250    HA   LEU1537           HA       LEU1537  58.820  -6.249  -7.223
  251    HB2  LEU1537           HB2      LEU1537  56.995  -3.831  -7.478
  252    HB3  LEU1537           HB3      LEU1537  58.347  -4.218  -8.520
  253    HG   LEU1537           HG       LEU1537  56.597  -4.829  -9.814
  254   HD11  LEU1537          HD11      LEU1537  57.170  -7.448  -8.397
  255   HD12  LEU1537          HD12      LEU1537  58.054  -6.752  -9.783
  256   HD13  LEU1537          HD13      LEU1537  56.375  -7.265  -9.962
  257   HD21  LEU1537          HD21      LEU1537  54.816  -4.487  -8.153
  258   HD22  LEU1537          HD22      LEU1537  55.079  -6.146  -7.558
  259   HD23  LEU1537          HD23      LEU1537  54.548  -5.867  -9.223
  260    H    PHE1538           H        PHE1538  60.812  -5.586  -6.661
  261    HA   PHE1538           HA       PHE1538  61.154  -3.850  -4.364
  262    HB2  PHE1538           HB2      PHE1538  62.459  -5.918  -4.790
  263    HB3  PHE1538           HB3      PHE1538  63.202  -5.148  -6.189
  264    HD1  PHE1538           HD1      PHE1538  65.333  -4.308  -5.923
  265    HD2  PHE1538           HD2      PHE1538  62.688  -4.423  -2.515
  266    HE1  PHE1538           HE1      PHE1538  67.133  -3.413  -4.502
  267    HE2  PHE1538           HE2      PHE1538  64.506  -3.519  -1.086
  268    HZ   PHE1538           HZ       PHE1538  66.738  -3.015  -2.065
  269    H    THR1539           H        THR1539  61.323  -3.292  -7.827
  270    HA   THR1539           HA       THR1539  62.392  -0.533  -7.389
  271    HB   THR1539           HB       THR1539  63.839  -0.719  -9.265
  272    HG1  THR1539           HG1      THR1539  63.965  -2.776 -10.388
  273   HG21  THR1539          HG21      THR1539  65.452  -2.376  -8.645
  274   HG22  THR1539          HG22      THR1539  64.230  -3.369  -7.827
  275   HG23  THR1539          HG23      THR1539  64.710  -1.794  -7.145
  276    H    GLU1540           H        GLU1540  62.136   0.922  -9.261
  277    HA   GLU1540           HA       GLU1540  59.472   1.034 -10.320
  278    HB2  GLU1540           HB2      GLU1540  61.033   2.943  -9.924
  279    HB3  GLU1540           HB3      GLU1540  62.014   2.392 -11.285
  280    HG2  GLU1540           HG2      GLU1540  60.092   2.722 -12.809
  281    HG3  GLU1540           HG3      GLU1540  59.100   3.247 -11.446
  282    H    ASP1541           H        ASP1541  62.501  -0.327 -11.640
  283    HA   ASP1541           HA       ASP1541  61.454  -0.868 -14.283
  284    HB2  ASP1541           HB2      ASP1541  63.740  -2.199 -12.782
  285    HB3  ASP1541           HB3      ASP1541  63.401  -2.363 -14.499
  286    H    ASP1542           H        ASP1542  61.640  -2.843 -11.259
  287    HA   ASP1542           HA       ASP1542  60.480  -5.215 -12.357
  288    HB2  ASP1542           HB2      ASP1542  60.606  -4.024  -9.560
  289    HB3  ASP1542           HB3      ASP1542  59.864  -5.564  -9.910
  290    H    VAL1543           H        VAL1543  58.993  -2.309 -10.877
  291    HA   VAL1543           HA       VAL1543  56.252  -3.207 -11.174
  292    HB   VAL1543           HB       VAL1543  57.580  -0.534 -10.745
  293   HG11  VAL1543          HG11      VAL1543  55.317   0.506 -10.516
  294   HG12  VAL1543          HG12      VAL1543  54.616  -0.929 -11.311
  295   HG13  VAL1543          HG13      VAL1543  55.775   0.114 -12.169
  296   HG21  VAL1543          HG21      VAL1543  57.335  -1.907  -8.801
  297   HG22  VAL1543          HG22      VAL1543  55.633  -2.289  -9.186
  298   HG23  VAL1543          HG23      VAL1543  56.092  -0.651  -8.705
  299    H    GLU1544           H        GLU1544  58.369  -1.300 -13.364
  300    HA   GLU1544           HA       GLU1544  56.344  -0.901 -15.354
  301    HB2  GLU1544           HB2      GLU1544  58.443   0.368 -15.283
  302    HB3  GLU1544           HB3      GLU1544  59.369  -1.093 -15.661
  303    HG2  GLU1544           HG2      GLU1544  58.324  -1.244 -17.866
  304    HG3  GLU1544           HG3      GLU1544  57.198   0.055 -17.460
  305    H    GLN1545           H        GLN1545  58.649  -3.576 -14.851
  306    HA   GLN1545           HA       GLN1545  57.876  -5.189 -17.104
  307    HB2  GLN1545           HB2      GLN1545  59.911  -5.598 -15.988
  308    HB3  GLN1545           HB3      GLN1545  59.187  -5.722 -14.410
  309    HG2  GLN1545           HG2      GLN1545  58.543  -7.706 -16.633
  310    HG3  GLN1545           HG3      GLN1545  59.992  -7.854 -15.639
  311   HE21  GLN1545          HE21      GLN1545  58.297  -6.841 -13.119
  312   HE22  GLN1545          HE22      GLN1545  57.477  -8.337 -12.722
  313    H    ALA1546           H        ALA1546  56.619  -5.115 -13.704
  314    HA   ALA1546           HA       ALA1546  54.722  -7.222 -14.166
  315    HB1  ALA1546           HB1      ALA1546  53.794  -6.417 -11.987
  316    HB2  ALA1546           HB2      ALA1546  54.906  -5.022 -12.068
  317    HB3  ALA1546           HB3      ALA1546  55.549  -6.670 -11.970
  318    H    ALA1547           H        ALA1547  54.439  -3.677 -14.481
  319    HA   ALA1547           HA       ALA1547  51.635  -3.570 -15.062
  320    HB1  ALA1547           HB1      ALA1547  53.941  -1.748 -15.858
  321    HB2  ALA1547           HB2      ALA1547  52.995  -1.635 -14.350
  322    HB3  ALA1547           HB3      ALA1547  52.214  -1.329 -15.917
  323    H    ASP1548           H        ASP1548  54.535  -3.799 -17.229
  324    HA   ASP1548           HA       ASP1548  53.064  -3.795 -19.690
  325    HB2  ASP1548           HB2      ASP1548  55.492  -3.320 -19.429
  326    HB3  ASP1548           HB3      ASP1548  55.774  -5.012 -19.015
  327    H    GLU1549           H        GLU1549  53.907  -6.371 -17.430
  328    HA   GLU1549           HA       GLU1549  52.886  -8.575 -19.089
  329    HB2  GLU1549           HB2      GLU1549  53.758  -8.316 -16.195
  330    HB3  GLU1549           HB3      GLU1549  53.103  -9.811 -16.832
  331    HG2  GLU1549           HG2      GLU1549  55.537  -8.381 -17.995
  332    HG3  GLU1549           HG3      GLU1549  55.610  -9.665 -16.805
  333    H    GLY1550           H        GLY1550  51.340  -6.156 -17.338
  334    HA2  GLY1550           HA2      GLY1550  49.054  -5.769 -17.059
  335    HA3  GLY1550           HA3      GLY1550  48.698  -7.430 -17.520
  336    H    PHE1551           H        PHE1551  49.438  -5.263 -14.873
  337    HA   PHE1551           HA       PHE1551  49.676  -7.354 -12.856
  338    HB2  PHE1551           HB2      PHE1551  50.988  -5.253 -12.810
  339    HB3  PHE1551           HB3      PHE1551  49.506  -4.342 -12.559
  340    HD1  PHE1551           HD1      PHE1551  48.541  -4.159 -10.353
  341    HD2  PHE1551           HD2      PHE1551  51.716  -6.976 -11.094
  342    HE1  PHE1551           HE1      PHE1551  48.814  -4.501  -7.908
  343    HE2  PHE1551           HE2      PHE1551  52.000  -7.297  -8.642
  344    HZ   PHE1551           HZ       PHE1551  50.546  -6.044  -7.061
  345    H    ASP1552           H        ASP1552  48.360  -7.575 -10.987
  346    HA   ASP1552           HA       ASP1552  45.493  -6.815 -11.179
  347    HB2  ASP1552           HB2      ASP1552  46.577  -9.617 -10.694
  348    HB3  ASP1552           HB3      ASP1552  44.901  -9.140 -10.632
  349    H    CYS1553           HN       CYS1553  44.579  -6.401  -9.128
  350    HA   CYS1553           HA       CYS1553  46.324  -6.112  -6.920
  351    HB2  CYS1553           HB2      CYS1553  44.485  -5.186  -5.773
  352    HB3  CYS1553           HB3      CYS1553  44.280  -4.694  -7.425
  353    H    VAL1554           H        VAL1554  45.353  -6.675  -4.741
  354    HA   VAL1554           HA       VAL1554  46.047  -9.224  -3.915
  355    HB   VAL1554           HB       VAL1554  44.157  -7.258  -2.566
  356   HG11  VAL1554          HG11      VAL1554  45.812  -9.521  -1.403
  357   HG12  VAL1554          HG12      VAL1554  44.039  -9.401  -1.431
  358   HG13  VAL1554          HG13      VAL1554  44.971  -8.276  -0.444
  359   HG21  VAL1554          HG21      VAL1554  46.157  -6.456  -1.352
  360   HG22  VAL1554          HG22      VAL1554  46.309  -6.167  -3.081
  361   HG23  VAL1554          HG23      VAL1554  47.182  -7.520  -2.334
  362    H    SER1555           H        SER1555  42.752  -8.117  -4.835
  363    HA   SER1555           HA       SER1555  41.545 -10.723  -4.062
  364    HB2  SER1555           HB2      SER1555  40.312  -8.244  -5.317
  365    HB3  SER1555           HB3      SER1555  39.433  -9.665  -4.728
  366    HG   SER1555           HG       SER1555  40.044  -9.169  -2.618
  367    H    CYS1556           HN       CYS1556  42.476  -8.888  -6.969
  368    HA   CYS1556           HA       CYS1556  41.171 -10.630  -8.823
  369    HB2  CYS1556           HB2      CYS1556  43.265  -8.472  -9.022
  370    HB3  CYS1556           HB3      CYS1556  42.783  -9.462 -10.419
  371    H    GLN1557           H        GLN1557  44.330 -10.678  -7.195
  372    HA   GLN1557           HA       GLN1557  45.575 -12.726  -8.640
  373    HB2  GLN1557           HB2      GLN1557  45.747 -11.775  -5.811
  374    HB3  GLN1557           HB3      GLN1557  46.642 -13.221  -6.301
  375    HG2  GLN1557           HG2      GLN1557  48.002 -12.039  -7.806
  376    HG3  GLN1557           HG3      GLN1557  46.820 -10.755  -8.030
  377   HE21  GLN1557          HE21      GLN1557  47.940  -8.948  -7.460
  378   HE22  GLN1557          HE22      GLN1557  48.567  -8.689  -5.868
  379    HA   PRO1558           HA       PRO1558  43.261 -16.188  -6.093
  380    HB2  PRO1558           HB2      PRO1558  40.939 -14.436  -5.219
  381    HB3  PRO1558           HB3      PRO1558  41.515 -15.977  -4.505
  382    HG2  PRO1558           HG2      PRO1558  42.234 -13.621  -3.399
  383    HG3  PRO1558           HG3      PRO1558  43.456 -14.918  -3.608
  384    HD2  PRO1558           HD2      PRO1558  43.058 -12.441  -5.266
  385    HD3  PRO1558           HD3      PRO1558  44.552 -13.269  -4.770
  386    H    TYR1559           H        TYR1559  41.317 -13.567  -7.729
  387    HA   TYR1559           HA       TYR1559  39.625 -15.463  -9.102
  388    HB2  TYR1559           HB2      TYR1559  40.285 -12.660 -10.010
  389    HB3  TYR1559           HB3      TYR1559  38.854 -13.598 -10.395
  390    HD1  TYR1559           HD1      TYR1559  38.916 -10.778  -9.345
  391    HD2  TYR1559           HD2      TYR1559  38.513 -14.575  -7.317
  392    HE1  TYR1559           HE1      TYR1559  37.756  -9.657  -7.461
  393    HE2  TYR1559           HE2      TYR1559  37.406 -13.448  -5.427
  394    HH   TYR1559           HH       TYR1559  36.574 -11.455  -4.589
  395    H    VAL1560           H        VAL1560  42.653 -13.934 -10.102
  396    HA   VAL1560           HA       VAL1560  42.533 -15.096 -12.776
  397    HB   VAL1560           HB       VAL1560  43.012 -12.680 -12.143
  398   HG11  VAL1560          HG11      VAL1560  45.181 -11.948 -11.587
  399   HG12  VAL1560          HG12      VAL1560  45.929 -13.511 -11.974
  400   HG13  VAL1560          HG13      VAL1560  44.937 -13.328 -10.524
  401   HG21  VAL1560          HG21      VAL1560  44.411 -12.281 -14.069
  402   HG22  VAL1560          HG22      VAL1560  43.212 -13.532 -14.431
  403   HG23  VAL1560          HG23      VAL1560  44.908 -13.985 -14.122
  404    H    VAL1561           H        VAL1561  44.553 -15.788  -9.933
  405    HA   VAL1561           HA       VAL1561  46.061 -17.806 -11.512
  406    HB   VAL1561           HB       VAL1561  47.211 -15.634 -11.783
  407   HG11  VAL1561          HG11      VAL1561  46.744 -14.592  -9.573
  408   HG12  VAL1561          HG12      VAL1561  48.465 -14.605  -9.962
  409   HG13  VAL1561          HG13      VAL1561  47.820 -15.769  -8.798
  410   HG21  VAL1561          HG21      VAL1561  48.912 -17.563 -10.169
  411   HG22  VAL1561          HG22      VAL1561  49.446 -16.379 -11.376
  412   HG23  VAL1561          HG23      VAL1561  48.475 -17.772 -11.879
  413    H    LYS1562           H        LYS1562  45.062 -16.670  -8.334
  414    HA   LYS1562           HA       LYS1562  45.223 -17.543  -6.212
  415    HB2  LYS1562           HB2      LYS1562  45.265 -20.218  -7.670
  416    HB3  LYS1562           HB3      LYS1562  44.965 -19.985  -5.944
  417    HG2  LYS1562           HG2      LYS1562  42.970 -18.606  -6.466
  418    HG3  LYS1562           HG3      LYS1562  43.216 -18.904  -8.194
  419    HD2  LYS1562           HD2      LYS1562  42.690 -21.049  -6.087
  420    HD3  LYS1562           HD3      LYS1562  41.473 -20.345  -7.157
  421    HE2  LYS1562           HE2      LYS1562  42.761 -21.149  -9.143
  422    HE3  LYS1562           HE3      LYS1562  43.930 -21.922  -8.059
  423    HZ1  LYS1562           HZ1      LYS1562  41.032 -22.599  -8.210
  424    HZ2  LYS1562           HZ2      LYS1562  42.103 -23.306  -7.199
  425    HZ3  LYS1562           HZ3      LYS1562  42.246 -23.506  -8.811
  426    HA   LYS  12           HA       LYS  12  47.941   8.800 -15.399
  427    H    GLY  13           H        GLY  13  49.634   5.679 -15.775
  428    HA2  GLY  13           HA2      GLY  13  47.465   4.090 -14.703
  429    HA3  GLY  13           HA3      GLY  13  47.508   4.018 -16.462
  430    H    GLY  14           H        GLY  14  47.955   1.907 -14.514
  431    HA2  GLY  14           HA2      GLY  14  49.208  -0.045 -14.439
  432    HA3  GLY  14           HA3      GLY  14  50.287   0.617 -15.665
  433    H    ALA  15           H        ALA  15  51.534   2.693 -14.580
  434    HA   ALA  15           HA       ALA  15  52.729   1.917 -11.962
  435    HB1  ALA  15           HB1      ALA  15  54.980   2.087 -13.007
  436    HB2  ALA  15           HB2      ALA  15  54.219   2.239 -14.599
  437    HB3  ALA  15           HB3      ALA  15  54.021   0.741 -13.672
  438   HH31  ALY  16           H26      ALY  16  45.999   9.251 -11.831
  439   HH32  ALY  16           H27      ALY  16  46.334  10.120 -10.313
  440   HH33  ALY  16           H28      ALY  16  45.918   8.389 -10.280
  441    HZ   ALY  16           HZ1      ALY  16  48.045   8.878  -8.954
  442    HE3  ALY  16           HE3      ALY  16  50.494   8.633 -10.582
  443    HE2  ALY  16           HE2      ALY  16  50.410   8.792  -8.819
  444    HD3  ALY  16           HD3      ALY  16  49.634   6.493  -8.577
  445    HD2  ALY  16           HD2      ALY  16  49.495   6.313 -10.327
  446    HG3  ALY  16           HG3      ALY  16  52.091   6.717  -8.798
  447    HG2  ALY  16           HG2      ALY  16  51.482   5.178  -9.430
  448    HB3  ALY  16           HB3      ALY  16  51.506   6.245 -11.760
  449    HB2  ALY  16           HB2      ALY  16  52.376   7.593 -11.049
  450    HA   ALY  16           HA       ALY  16  54.011   6.238 -12.033
  451    H    ALY  16           H        ALY  16  53.405   3.680 -10.735
  452    H    ARG  17           H        ARG  17  54.795   7.906 -10.611
  453    HA   ARG  17           HA       ARG  17  55.705   7.155  -7.904
  454    HB2  ARG  17           HB2      ARG  17  57.423   6.295  -9.494
  455    HB3  ARG  17           HB3      ARG  17  57.615   7.912 -10.166
  456    HG2  ARG  17           HG2      ARG  17  58.520   8.733  -8.034
  457    HG3  ARG  17           HG3      ARG  17  58.213   7.159  -7.263
  458    HD2  ARG  17           HD2      ARG  17  59.751   6.060  -8.826
  459    HD3  ARG  17           HD3      ARG  17  60.018   7.590  -9.687
  460    HE   ARG  17           HE       ARG  17  60.715   8.102  -7.009
  461   HH11  ARG  17          HH11      ARG  17  63.572   6.085  -8.910
  462   HH12  ARG  17          HH12      ARG  17  61.962   6.043  -9.596
  463   HH21  ARG  17          HH21      ARG  17  62.631   8.126  -6.263
  464   HH22  ARG  17          HH22      ARG  17  63.975   7.261  -7.017
  465    H    HIS  18           H        HIS  18  56.126   8.933  -6.581
  466    HA   HIS  18           HA       HIS  18  55.924  11.692  -7.638
  467    HB2  HIS  18           HB2      HIS  18  53.588  11.012  -7.327
  468    HB3  HIS  18           HB3      HIS  18  53.937  10.479  -5.684
  469    HD2  HIS  18           HD2      HIS  18  53.272  12.198  -3.883
  470    HE1  HIS  18           HE1      HIS  18  53.681  15.822  -6.096
  471    HE2  HIS  18           HE2      HIS  18  53.036  14.823  -3.841
  472    H    ARG  19           H        ARG  19  56.683  13.272  -6.225
  473    HA   ARG  19           HA       ARG  19  58.559  13.925  -4.945
  Start of MODEL   11
    1    H    SER1503           H        SER1503  38.459   5.825  -3.776
    2    HA   SER1503           HA       SER1503  39.258   3.969  -1.731
    3    HB2  SER1503           HB2      SER1503  38.811   2.261  -3.433
    4    HB3  SER1503           HB3      SER1503  37.526   3.479  -3.401
    5    HG   SER1503           HG       SER1503  38.099   3.110  -5.550
    6    H    LEU1504           H        LEU1504  41.142   5.733  -3.932
    7    HA   LEU1504           HA       LEU1504  43.438   3.883  -3.997
    8    HB2  LEU1504           HB2      LEU1504  44.594   5.590  -5.186
    9    HB3  LEU1504           HB3      LEU1504  42.964   5.479  -5.828
   10    HG   LEU1504           HG       LEU1504  42.605   7.522  -4.040
   11   HD11  LEU1504          HD11      LEU1504  44.541   9.032  -4.132
   12   HD12  LEU1504          HD12      LEU1504  45.467   7.827  -5.049
   13   HD13  LEU1504          HD13      LEU1504  45.040   7.518  -3.367
   14   HD21  LEU1504          HD21      LEU1504  42.931   9.066  -5.951
   15   HD22  LEU1504          HD22      LEU1504  42.025   7.614  -6.410
   16   HD23  LEU1504          HD23      LEU1504  43.736   7.756  -6.852
   17    H    VAL1505           H        VAL1505  42.214   6.405  -1.907
   18    HA   VAL1505           HA       VAL1505  44.656   6.788  -0.389
   19    HB   VAL1505           HB       VAL1505  41.953   7.631   0.635
   20   HG11  VAL1505          HG11      VAL1505  44.715   8.955   0.665
   21   HG12  VAL1505          HG12      VAL1505  44.010   8.070   2.029
   22   HG13  VAL1505          HG13      VAL1505  43.252   9.558   1.473
   23   HG21  VAL1505          HG21      VAL1505  42.220   9.771  -0.624
   24   HG22  VAL1505          HG22      VAL1505  41.864   8.410  -1.677
   25   HG23  VAL1505          HG23      VAL1505  43.531   9.034  -1.563
   26    H    THR1506           H        THR1506  43.898   4.012  -0.621
   27    HA   THR1506           HA       THR1506  43.888   3.189   2.115
   28    HB   THR1506           HB       THR1506  41.739   1.910   0.456
   29    HG1  THR1506           HG1      THR1506  40.218   3.128   1.631
   30   HG21  THR1506          HG21      THR1506  42.702   0.706   2.434
   31   HG22  THR1506          HG22      THR1506  40.972   1.052   2.588
   32   HG23  THR1506          HG23      THR1506  42.154   2.048   3.461
   33    H    CYS1507           HN       CYS1507  45.748   2.089   1.833
   34    HA   CYS1507           HA       CYS1507  45.885  -0.085  -0.176
   35    HB2  CYS1507           HB2      CYS1507  47.622   1.695  -0.191
   36    HB3  CYS1507           HB3      CYS1507  48.108   1.192   1.417
   37    HA   PRO1508           HA       PRO1508  44.658  -2.354   3.700
   38    HB2  PRO1508           HB2      PRO1508  44.190  -4.308   1.428
   39    HB3  PRO1508           HB3      PRO1508  43.282  -4.136   2.955
   40    HG2  PRO1508           HG2      PRO1508  42.302  -3.005   0.712
   41    HG3  PRO1508           HG3      PRO1508  42.350  -2.018   2.216
   42    HD2  PRO1508           HD2      PRO1508  44.305  -2.011  -0.110
   43    HD3  PRO1508           HD3      PRO1508  43.565  -0.643   0.769
   44    H    ILE1509           H        ILE1509  47.014  -2.956   1.215
   45    HA   ILE1509           HA       ILE1509  47.983  -5.502   2.161
   46    HB   ILE1509           HB       ILE1509  49.593  -3.486   0.600
   47   HG12  ILE1509          HG12      ILE1509  47.461  -5.417  -0.428
   48   HG13  ILE1509          HG13      ILE1509  47.476  -3.658  -0.594
   49   HG21  ILE1509          HG21      ILE1509  50.647  -5.631  -0.265
   50   HG22  ILE1509          HG22      ILE1509  49.559  -6.547   0.788
   51   HG23  ILE1509          HG23      ILE1509  50.794  -5.476   1.479
   52   HD11  ILE1509          HD11      ILE1509  49.565  -3.886  -2.016
   53   HD12  ILE1509          HD12      ILE1509  48.052  -4.515  -2.710
   54   HD13  ILE1509          HD13      ILE1509  49.242  -5.636  -2.043
   55    H    CYS1510           HN       CYS1510  49.019  -2.115   2.789
   56    HA   CYS1510           HA       CYS1510  50.787  -3.025   4.985
   57    HB2  CYS1510           HB2      CYS1510  51.050  -0.523   5.335
   58    HB3  CYS1510           HB3      CYS1510  51.839  -1.255   3.935
   59    H    HIS1511           H        HIS1511  48.228  -0.674   4.629
   60    HA   HIS1511           HA       HIS1511  46.415  -1.845   6.567
   61    HB2  HIS1511           HB2      HIS1511  47.624   0.850   7.345
   62    HB3  HIS1511           HB3      HIS1511  46.275   0.055   8.131
   63    HD2  HIS1511           HD2      HIS1511  46.855  -2.097   9.698
   64    HE1  HIS1511           HE1      HIS1511  51.044  -1.329   9.975
   65    HE2  HIS1511           HE2      HIS1511  49.114  -2.678  10.939
   66    H    ALA1512           H        ALA1512  47.292   1.201   4.911
   67    HA   ALA1512           HA       ALA1512  45.021   1.688   3.448
   68    HB1  ALA1512           HB1      ALA1512  44.851   2.935   6.189
   69    HB2  ALA1512           HB2      ALA1512  43.691   1.831   5.407
   70    HB3  ALA1512           HB3      ALA1512  43.917   3.463   4.765
   71    HA   PRO1513           HA       PRO1513  47.169   5.967   4.497
   72    HB2  PRO1513           HB2      PRO1513  49.925   4.977   5.253
   73    HB3  PRO1513           HB3      PRO1513  49.063   6.451   5.803
   74    HG2  PRO1513           HG2      PRO1513  49.147   4.258   7.375
   75    HG3  PRO1513           HG3      PRO1513  47.593   5.131   7.176
   76    HD2  PRO1513           HD2      PRO1513  48.544   2.637   5.703
   77    HD3  PRO1513           HD3      PRO1513  46.982   2.951   6.516
   78    H    TYR1514           H        TYR1514  47.656   7.114   2.713
   79    HA   TYR1514           HA       TYR1514  48.955   5.774   0.465
   80    HB2  TYR1514           HB2      TYR1514  46.798   7.121   0.424
   81    HB3  TYR1514           HB3      TYR1514  47.783   8.567   0.498
   82    HD1  TYR1514           HD1      TYR1514  47.512   5.304  -1.396
   83    HD2  TYR1514           HD2      TYR1514  48.382   9.534  -1.607
   84    HE1  TYR1514           HE1      TYR1514  47.524   5.172  -3.847
   85    HE2  TYR1514           HE2      TYR1514  48.485   9.374  -4.094
   86    HH   TYR1514           HH       TYR1514  47.807   6.315  -5.847
   87    H    VAL1515           H        VAL1515  50.898   5.844   2.122
   88    HA   VAL1515           HA       VAL1515  52.507   8.139   2.477
   89    HB   VAL1515           HB       VAL1515  53.207   5.188   2.396
   90   HG11  VAL1515          HG11      VAL1515  54.994   7.518   3.213
   91   HG12  VAL1515          HG12      VAL1515  55.302   6.303   1.936
   92   HG13  VAL1515          HG13      VAL1515  55.297   5.815   3.623
   93   HG21  VAL1515          HG21      VAL1515  53.289   5.451   4.843
   94   HG22  VAL1515          HG22      VAL1515  51.710   5.952   4.230
   95   HG23  VAL1515          HG23      VAL1515  52.907   7.179   4.691
   96    H    GLU1516           H        GLU1516  53.737   9.333   1.222
   97    HA   GLU1516           HA       GLU1516  54.083   8.704  -1.606
   98    HB2  GLU1516           HB2      GLU1516  54.825  10.965  -1.810
   99    HB3  GLU1516           HB3      GLU1516  53.356  10.934  -0.856
  100    HG2  GLU1516           HG2      GLU1516  56.052  11.024   0.546
  101    HG3  GLU1516           HG3      GLU1516  55.410  12.461  -0.222
  102    H    GLU1517           H        GLU1517  56.064   8.137   1.128
  103    HA   GLU1517           HA       GLU1517  58.666   8.469  -0.060
  104    HB2  GLU1517           HB2      GLU1517  57.759   6.662   2.218
  105    HB3  GLU1517           HB3      GLU1517  59.430   7.048   1.833
  106    HG2  GLU1517           HG2      GLU1517  57.292   8.978   2.819
  107    HG3  GLU1517           HG3      GLU1517  58.659   8.360   3.731
  108    H    ASP1518           H        ASP1518  56.276   6.084  -0.678
  109    HA   ASP1518           HA       ASP1518  58.244   4.390  -2.145
  110    HB2  ASP1518           HB2      ASP1518  55.718   3.449  -0.751
  111    HB3  ASP1518           HB3      ASP1518  56.729   2.470  -1.804
  112    H    LEU1519           H        LEU1519  57.835   4.055  -4.255
  113    HA   LEU1519           HA       LEU1519  55.655   5.460  -5.567
  114    HB2  LEU1519           HB2      LEU1519  56.617   4.791  -7.596
  115    HB3  LEU1519           HB3      LEU1519  57.931   5.179  -6.518
  116    HG   LEU1519           HG       LEU1519  57.618   2.392  -6.161
  117   HD11  LEU1519          HD11      LEU1519  57.326   3.097  -9.122
  118   HD12  LEU1519          HD12      LEU1519  56.081   2.315  -8.126
  119   HD13  LEU1519          HD13      LEU1519  57.613   1.477  -8.450
  120   HD21  LEU1519          HD21      LEU1519  59.761   3.560  -6.341
  121   HD22  LEU1519          HD22      LEU1519  59.453   3.909  -8.055
  122   HD23  LEU1519          HD23      LEU1519  59.690   2.230  -7.509
  123    H    LEU1520           H        LEU1520  54.114   4.427  -7.032
  124    HA   LEU1520           HA       LEU1520  52.947   1.959  -5.826
  125    HB2  LEU1520           HB2      LEU1520  51.503   4.405  -6.907
  126    HB3  LEU1520           HB3      LEU1520  50.766   2.928  -6.308
  127    HG   LEU1520           HG       LEU1520  52.271   3.554  -4.119
  128   HD11  LEU1520          HD11      LEU1520  52.047   5.954  -3.662
  129   HD12  LEU1520          HD12      LEU1520  51.339   6.225  -5.264
  130   HD13  LEU1520          HD13      LEU1520  53.032   5.733  -5.109
  131   HD21  LEU1520          HD21      LEU1520  50.177   4.494  -3.176
  132   HD22  LEU1520          HD22      LEU1520  49.863   3.036  -4.131
  133   HD23  LEU1520          HD23      LEU1520  49.522   4.636  -4.825
  134    H    ILE1521           H        ILE1521  51.554   0.718  -7.031
  135    HA   ILE1521           HA       ILE1521  51.766   0.757  -9.985
  136    HB   ILE1521           HB       ILE1521  53.171  -1.052  -9.212
  137   HG12  ILE1521          HG12      ILE1521  50.548  -2.239 -10.227
  138   HG13  ILE1521          HG13      ILE1521  51.676  -1.333 -11.239
  139   HG21  ILE1521          HG21      ILE1521  50.761  -2.232  -7.770
  140   HG22  ILE1521          HG22      ILE1521  52.137  -1.448  -6.955
  141   HG23  ILE1521          HG23      ILE1521  52.385  -2.937  -7.862
  142   HD11  ILE1521          HD11      ILE1521  52.163  -4.007  -9.876
  143   HD12  ILE1521          HD12      ILE1521  53.446  -3.063 -10.665
  144   HD13  ILE1521          HD13      ILE1521  52.067  -3.660 -11.612
  145    H    GLN1522           H        GLN1522  49.802   0.303 -11.060
  146    HA   GLN1522           HA       GLN1522  47.451  -0.229  -9.302
  147    HB2  GLN1522           HB2      GLN1522  46.008   0.830 -10.916
  148    HB3  GLN1522           HB3      GLN1522  47.123   1.965 -10.190
  149    HG2  GLN1522           HG2      GLN1522  48.451   2.063 -12.221
  150    HG3  GLN1522           HG3      GLN1522  47.583   0.700 -12.921
  151   HE21  GLN1522          HE21      GLN1522  45.154   2.620 -11.453
  152   HE22  GLN1522          HE22      GLN1522  44.734   3.460 -12.951
  153    H    CYS1523           HN       CYS1523  45.854  -1.550  -9.947
  154    HA   CYS1523           HA       CYS1523  46.350  -3.874 -11.469
  155    HB2  CYS1523           HB2      CYS1523  44.700  -3.426  -9.610
  156    HB3  CYS1523           HB3      CYS1523  43.721  -2.509 -10.742
  157    H    ARG1524           H        ARG1524  46.021  -4.394 -13.616
  158    HA   ARG1524           HA       ARG1524  45.437  -2.336 -15.603
  159    HB2  ARG1524           HB2      ARG1524  45.564  -4.047 -17.249
  160    HB3  ARG1524           HB3      ARG1524  46.838  -4.356 -16.066
  161    HG2  ARG1524           HG2      ARG1524  45.439  -6.130 -15.032
  162    HG3  ARG1524           HG3      ARG1524  44.146  -5.816 -16.196
  163    HD2  ARG1524           HD2      ARG1524  45.459  -6.553 -18.033
  164    HD3  ARG1524           HD3      ARG1524  46.938  -6.604 -17.052
  165    HE   ARG1524           HE       ARG1524  45.212  -8.300 -15.712
  166   HH11  ARG1524          HH11      ARG1524  45.292 -10.416 -15.803
  167   HH12  ARG1524          HH12      ARG1524  45.640 -11.261 -17.303
  168   HH21  ARG1524          HH21      ARG1524  46.274  -8.365 -19.086
  169   HH22  ARG1524          HH22      ARG1524  46.229 -10.104 -19.123
  170    H    HIS1525           H        HIS1525  43.392  -4.467 -13.751
  171    HA   HIS1525           HA       HIS1525  41.162  -4.272 -15.684
  172    HB2  HIS1525           HB2      HIS1525  41.811  -6.446 -14.693
  173    HB3  HIS1525           HB3      HIS1525  41.364  -5.845 -13.099
  174    HD2  HIS1525           HD2      HIS1525  38.831  -6.089 -12.435
  175    HE1  HIS1525           HE1      HIS1525  37.177  -6.988 -16.264
  176    HE2  HIS1525           HE2      HIS1525  36.666  -6.773 -13.777
  177    H    CYS1526           HN       CYS1526  41.598  -3.555 -12.168
  178    HA   CYS1526           HA       CYS1526  39.154  -1.881 -12.299
  179    HB2  CYS1526           HB2      CYS1526  38.733  -2.484 -10.101
  180    HB3  CYS1526           HB3      CYS1526  39.258  -3.980 -10.876
  181    H    GLU1527           H        GLU1527  42.356  -1.275 -12.484
  182    HA   GLU1527           HA       GLU1527  43.738   0.474 -12.162
  183    HB2  GLU1527           HB2      GLU1527  41.099   1.958 -12.195
  184    HB3  GLU1527           HB3      GLU1527  42.622   2.783 -11.984
  185    HG2  GLU1527           HG2      GLU1527  43.377   1.400 -14.117
  186    HG3  GLU1527           HG3      GLU1527  41.642   1.260 -14.383
  187    H    ARG1528           H        ARG1528  42.201  -0.618  -9.461
  188    HA   ARG1528           HA       ARG1528  42.777   1.367  -7.522
  189    HB2  ARG1528           HB2      ARG1528  42.858  -1.671  -7.306
  190    HB3  ARG1528           HB3      ARG1528  42.967  -0.601  -5.918
  191    HG2  ARG1528           HG2      ARG1528  40.602  -0.656  -7.837
  192    HG3  ARG1528           HG3      ARG1528  40.691  -1.585  -6.350
  193    HD2  ARG1528           HD2      ARG1528  40.697   1.457  -6.589
  194    HD3  ARG1528           HD3      ARG1528  39.337   0.466  -6.107
  195    HE   ARG1528           HE       ARG1528  41.481   1.384  -4.425
  196   HH11  ARG1528          HH11      ARG1528  39.308  -1.368  -4.677
  197   HH12  ARG1528          HH12      ARG1528  39.411  -1.706  -2.976
  198   HH21  ARG1528          HH21      ARG1528  41.476   0.977  -2.296
  199   HH22  ARG1528          HH22      ARG1528  40.666  -0.438  -1.656
  200    H    TRP1529           H        TRP1529  44.519   2.144  -6.645
  201    HA   TRP1529           HA       TRP1529  47.202   1.267  -7.459
  202    HB2  TRP1529           HB2      TRP1529  46.208   3.628  -5.824
  203    HB3  TRP1529           HB3      TRP1529  47.899   3.308  -6.178
  204    HD1  TRP1529           HD1      TRP1529  44.750   4.654  -7.801
  205    HE1  TRP1529           HE1      TRP1529  45.275   5.564 -10.145
  206    HE3  TRP1529           HE3      TRP1529  49.560   2.973  -8.260
  207    HZ2  TRP1529           HZ2      TRP1529  47.513   5.609 -11.957
  208    HZ3  TRP1529           HZ3      TRP1529  50.847   3.407 -10.337
  209    HH2  TRP1529           HH2      TRP1529  49.844   4.739 -12.186
  210    H    MET1530           H        MET1530  48.835   0.586  -6.134
  211    HA   MET1530           HA       MET1530  48.578   0.525  -3.209
  212    HB2  MET1530           HB2      MET1530  49.048  -1.835  -2.990
  213    HB3  MET1530           HB3      MET1530  47.564  -1.628  -3.911
  214    HG2  MET1530           HG2      MET1530  49.506  -1.737  -5.913
  215    HG3  MET1530           HG3      MET1530  50.157  -2.818  -4.697
  216    HE1  MET1530           HE1      MET1530  46.315  -3.291  -7.181
  217    HE2  MET1530           HE2      MET1530  47.597  -2.072  -7.364
  218    HE3  MET1530           HE3      MET1530  46.466  -1.979  -5.995
  219    H    HIS1531           H        HIS1531  50.734   0.134  -2.176
  220    HA   HIS1531           HA       HIS1531  52.838   1.422  -3.641
  221    HB2  HIS1531           HB2      HIS1531  53.157  -0.239  -1.136
  222    HB3  HIS1531           HB3      HIS1531  54.267   0.977  -1.752
  223    HD2  HIS1531           HD2      HIS1531  53.298   3.608  -1.745
  224    HE1  HIS1531           HE1      HIS1531  50.450   2.882   1.343
  225    HE2  HIS1531           HE2      HIS1531  51.709   4.696   0.009
  226    H    ALA1532           H        ALA1532  54.696   0.672  -4.623
  227    HA   ALA1532           HA       ALA1532  54.669  -1.867  -5.907
  228    HB1  ALA1532           HB1      ALA1532  56.969   0.077  -5.376
  229    HB2  ALA1532           HB2      ALA1532  55.828   0.146  -6.740
  230    HB3  ALA1532           HB3      ALA1532  56.961  -1.204  -6.598
  231    H    GLY1533           H        GLY1533  56.513  -0.768  -3.005
  232    HA2  GLY1533           HA2      GLY1533  57.788  -3.248  -2.444
  233    HA3  GLY1533           HA3      GLY1533  57.504  -1.938  -1.294
  234    H    CYS1534           HN       CYS1534  54.512  -2.117  -1.541
  235    HA   CYS1534           HA       CYS1534  53.868  -4.184   0.315
  236    HB2  CYS1534           HB2      CYS1534  52.255  -2.325  -1.452
  237    HB3  CYS1534           HB3      CYS1534  51.486  -3.607  -0.536
  238    H    GLU1535           H        GLU1535  53.718  -4.108  -3.233
  239    HA   GLU1535           HA       GLU1535  53.097  -7.015  -3.300
  240    HB2  GLU1535           HB2      GLU1535  53.087  -4.846  -5.404
  241    HB3  GLU1535           HB3      GLU1535  52.960  -6.556  -5.824
  242    HG2  GLU1535           HG2      GLU1535  51.085  -5.225  -3.818
  243    HG3  GLU1535           HG3      GLU1535  50.771  -5.291  -5.527
  244    H    SER1536           H        SER1536  55.759  -5.798  -2.436
  245    HA   SER1536           HA       SER1536  57.931  -6.306  -2.496
  246    HB2  SER1536           HB2      SER1536  57.091  -8.900  -3.816
  247    HB3  SER1536           HB3      SER1536  58.597  -8.605  -2.939
  248    HG   SER1536           HG       SER1536  57.409  -8.332  -1.026
  249    H    LEU1537           H        LEU1537  56.815  -5.007  -5.007
  250    HA   LEU1537           HA       LEU1537  58.893  -5.578  -7.040
  251    HB2  LEU1537           HB2      LEU1537  56.776  -3.404  -6.954
  252    HB3  LEU1537           HB3      LEU1537  57.730  -3.878  -8.352
  253    HG   LEU1537           HG       LEU1537  55.615  -5.594  -6.952
  254   HD11  LEU1537          HD11      LEU1537  54.681  -3.646  -8.127
  255   HD12  LEU1537          HD12      LEU1537  54.233  -5.172  -8.898
  256   HD13  LEU1537          HD13      LEU1537  55.505  -4.164  -9.620
  257   HD21  LEU1537          HD21      LEU1537  55.761  -7.061  -8.895
  258   HD22  LEU1537          HD22      LEU1537  57.340  -6.984  -8.103
  259   HD23  LEU1537          HD23      LEU1537  57.050  -6.066  -9.601
  260    H    PHE1538           H        PHE1538  60.893  -4.707  -6.801
  261    HA   PHE1538           HA       PHE1538  61.401  -2.885  -4.596
  262    HB2  PHE1538           HB2      PHE1538  62.798  -4.838  -5.127
  263    HB3  PHE1538           HB3      PHE1538  63.219  -4.132  -6.689
  264    HD1  PHE1538           HD1      PHE1538  65.115  -2.823  -6.949
  265    HD2  PHE1538           HD2      PHE1538  63.494  -3.458  -3.001
  266    HE1  PHE1538           HE1      PHE1538  67.089  -1.715  -5.962
  267    HE2  PHE1538           HE2      PHE1538  65.481  -2.346  -2.010
  268    HZ   PHE1538           HZ       PHE1538  67.284  -1.456  -3.486
  269    H    THR1539           H        THR1539  61.033  -2.377  -8.040
  270    HA   THR1539           HA       THR1539  61.736   0.484  -7.839
  271    HB   THR1539           HB       THR1539  63.911  -0.642  -8.113
  272    HG1  THR1539           HG1      THR1539  63.965   1.275  -9.087
  273   HG21  THR1539          HG21      THR1539  63.280  -2.674  -9.325
  274   HG22  THR1539          HG22      THR1539  64.491  -1.760 -10.237
  275   HG23  THR1539          HG23      THR1539  62.792  -1.717 -10.737
  276    H    GLU1540           H        GLU1540  61.584   1.514 -10.128
  277    HA   GLU1540           HA       GLU1540  58.899   1.170 -11.105
  278    HB2  GLU1540           HB2      GLU1540  61.312   2.586 -12.311
  279    HB3  GLU1540           HB3      GLU1540  59.656   2.704 -12.923
  280    HG2  GLU1540           HG2      GLU1540  58.901   3.745 -10.856
  281    HG3  GLU1540           HG3      GLU1540  60.481   3.498 -10.105
  282    H    ASP1541           H        ASP1541  62.060  -0.067 -12.278
  283    HA   ASP1541           HA       ASP1541  61.089  -1.151 -14.731
  284    HB2  ASP1541           HB2      ASP1541  63.368  -2.140 -12.982
  285    HB3  ASP1541           HB3      ASP1541  63.058  -2.638 -14.642
  286    H    ASP1542           H        ASP1542  60.914  -2.518 -11.412
  287    HA   ASP1542           HA       ASP1542  59.970  -5.124 -12.289
  288    HB2  ASP1542           HB2      ASP1542  59.870  -3.655  -9.626
  289    HB3  ASP1542           HB3      ASP1542  59.223  -5.253  -9.895
  290    H    VAL1543           H        VAL1543  58.448  -2.034 -11.354
  291    HA   VAL1543           HA       VAL1543  55.703  -2.982 -11.482
  292    HB   VAL1543           HB       VAL1543  56.900  -0.189 -11.645
  293   HG11  VAL1543          HG11      VAL1543  54.747  -0.084 -12.778
  294   HG12  VAL1543          HG12      VAL1543  54.570   0.599 -11.153
  295   HG13  VAL1543          HG13      VAL1543  53.988  -1.034 -11.505
  296   HG21  VAL1543          HG21      VAL1543  55.951   0.009  -9.355
  297   HG22  VAL1543          HG22      VAL1543  57.177  -1.260  -9.451
  298   HG23  VAL1543          HG23      VAL1543  55.452  -1.691  -9.422
  299    H    GLU1544           H        GLU1544  57.776  -1.279 -13.863
  300    HA   GLU1544           HA       GLU1544  55.972  -1.293 -16.061
  301    HB2  GLU1544           HB2      GLU1544  58.997  -1.359 -15.768
  302    HB3  GLU1544           HB3      GLU1544  58.249  -1.369 -17.355
  303    HG2  GLU1544           HG2      GLU1544  57.807   0.767 -15.226
  304    HG3  GLU1544           HG3      GLU1544  58.970   0.883 -16.540
  305    H    GLN1545           H        GLN1545  58.418  -3.769 -15.082
  306    HA   GLN1545           HA       GLN1545  57.749  -5.725 -17.022
  307    HB2  GLN1545           HB2      GLN1545  59.736  -5.881 -15.762
  308    HB3  GLN1545           HB3      GLN1545  58.919  -5.856 -14.219
  309    HG2  GLN1545           HG2      GLN1545  58.467  -8.123 -16.193
  310    HG3  GLN1545           HG3      GLN1545  59.899  -8.067 -15.178
  311   HE21  GLN1545          HE21      GLN1545  57.908  -6.809 -12.891
  312   HE22  GLN1545          HE22      GLN1545  57.264  -8.323 -12.292
  313    H    ALA1546           H        ALA1546  56.304  -5.239 -13.737
  314    HA   ALA1546           HA       ALA1546  54.559  -7.485 -13.898
  315    HB1  ALA1546           HB1      ALA1546  55.148  -6.311 -11.796
  316    HB2  ALA1546           HB2      ALA1546  53.394  -6.388 -12.013
  317    HB3  ALA1546           HB3      ALA1546  54.262  -4.873 -12.342
  318    H    ALA1547           H        ALA1547  54.036  -4.068 -14.857
  319    HA   ALA1547           HA       ALA1547  51.310  -4.356 -15.673
  320    HB1  ALA1547           HB1      ALA1547  53.481  -2.441 -16.592
  321    HB2  ALA1547           HB2      ALA1547  52.432  -2.221 -15.169
  322    HB3  ALA1547           HB3      ALA1547  51.729  -2.222 -16.803
  323    H    ASP1548           H        ASP1548  54.393  -4.647 -17.558
  324    HA   ASP1548           HA       ASP1548  53.141  -5.200 -20.085
  325    HB2  ASP1548           HB2      ASP1548  55.500  -4.454 -19.726
  326    HB3  ASP1548           HB3      ASP1548  55.876  -6.028 -19.029
  327    H    GLU1549           H        GLU1549  53.946  -7.256 -17.338
  328    HA   GLU1549           HA       GLU1549  53.233  -9.798 -18.662
  329    HB2  GLU1549           HB2      GLU1549  53.907  -9.002 -15.807
  330    HB3  GLU1549           HB3      GLU1549  53.418 -10.629 -16.223
  331    HG2  GLU1549           HG2      GLU1549  55.808  -9.187 -17.457
  332    HG3  GLU1549           HG3      GLU1549  55.881 -10.291 -16.098
  333    H    GLY1550           H        GLY1550  51.417  -7.264 -17.515
  334    HA2  GLY1550           HA2      GLY1550  49.112  -7.006 -17.511
  335    HA3  GLY1550           HA3      GLY1550  48.901  -8.752 -17.691
  336    H    PHE1551           H        PHE1551  50.095  -6.405 -15.234
  337    HA   PHE1551           HA       PHE1551  49.652  -8.032 -12.986
  338    HB2  PHE1551           HB2      PHE1551  51.176  -6.153 -12.989
  339    HB3  PHE1551           HB3      PHE1551  49.858  -5.016 -13.248
  340    HD1  PHE1551           HD1      PHE1551  48.540  -4.217 -11.419
  341    HD2  PHE1551           HD2      PHE1551  51.360  -7.418 -10.808
  342    HE1  PHE1551           HE1      PHE1551  48.230  -4.013  -8.963
  343    HE2  PHE1551           HE2      PHE1551  51.056  -7.204  -8.349
  344    HZ   PHE1551           HZ       PHE1551  49.486  -5.520  -7.429
  345    H    ASP1552           H        ASP1552  47.861  -8.762 -12.150
  346    HA   ASP1552           HA       ASP1552  45.359  -7.138 -11.958
  347    HB2  ASP1552           HB2      ASP1552  45.837 -10.123 -11.614
  348    HB3  ASP1552           HB3      ASP1552  44.306  -9.309 -11.364
  349    H    CYS1553           HN       CYS1553  44.557  -6.655  -9.876
  350    HA   CYS1553           HA       CYS1553  46.478  -6.744  -7.761
  351    HB2  CYS1553           HB2      CYS1553  44.983  -5.336  -6.602
  352    HB3  CYS1553           HB3      CYS1553  44.866  -4.912  -8.287
  353    H    VAL1554           H        VAL1554  45.318  -7.003  -5.533
  354    HA   VAL1554           HA       VAL1554  45.429  -9.768  -4.868
  355    HB   VAL1554           HB       VAL1554  44.281  -7.808  -2.899
  356   HG11  VAL1554          HG11      VAL1554  46.586  -9.791  -2.797
  357   HG12  VAL1554          HG12      VAL1554  44.922 -10.131  -2.260
  358   HG13  VAL1554          HG13      VAL1554  45.893  -8.921  -1.407
  359   HG21  VAL1554          HG21      VAL1554  45.914  -6.298  -3.904
  360   HG22  VAL1554          HG22      VAL1554  47.162  -7.574  -3.868
  361   HG23  VAL1554          HG23      VAL1554  46.526  -6.881  -2.364
  362    H    SER1555           H        SER1555  42.808  -8.010  -6.060
  363    HA   SER1555           HA       SER1555  40.773  -9.904  -4.919
  364    HB2  SER1555           HB2      SER1555  40.436  -7.513  -4.362
  365    HB3  SER1555           HB3      SER1555  40.386  -7.130  -6.094
  366    HG   SER1555           HG       SER1555  38.285  -7.430  -5.115
  367    H    CYS1556           HN       CYS1556  41.981  -8.300  -7.898
  368    HA   CYS1556           HA       CYS1556  40.182  -9.608  -9.673
  369    HB2  CYS1556           HB2      CYS1556  42.762  -8.051  -9.969
  370    HB3  CYS1556           HB3      CYS1556  41.945  -8.777 -11.361
  371    H    GLN1557           H        GLN1557  43.409 -10.426  -8.393
  372    HA   GLN1557           HA       GLN1557  43.848 -12.723  -9.952
  373    HB2  GLN1557           HB2      GLN1557  44.824 -11.882  -7.232
  374    HB3  GLN1557           HB3      GLN1557  45.191 -13.482  -7.884
  375    HG2  GLN1557           HG2      GLN1557  46.171 -12.449  -9.916
  376    HG3  GLN1557           HG3      GLN1557  45.784 -10.849  -9.282
  377   HE21  GLN1557          HE21      GLN1557  47.766  -9.943  -8.811
  378   HE22  GLN1557          HE22      GLN1557  49.008 -10.761  -7.873
  379    HA   PRO1558           HA       PRO1558  41.392 -15.401  -6.617
  380    HB2  PRO1558           HB2      PRO1558  39.557 -13.098  -5.865
  381    HB3  PRO1558           HB3      PRO1558  39.872 -14.617  -4.971
  382    HG2  PRO1558           HG2      PRO1558  41.184 -12.339  -4.306
  383    HG3  PRO1558           HG3      PRO1558  42.057 -13.906  -4.359
  384    HD2  PRO1558           HD2      PRO1558  42.184 -11.648  -6.318
  385    HD3  PRO1558           HD3      PRO1558  43.400 -12.825  -5.852
  386    H    TYR1559           H        TYR1559  39.723 -12.721  -8.469
  387    HA   TYR1559           HA       TYR1559  37.753 -14.614  -9.498
  388    HB2  TYR1559           HB2      TYR1559  38.448 -11.843 -10.506
  389    HB3  TYR1559           HB3      TYR1559  37.061 -12.812 -11.005
  390    HD1  TYR1559           HD1      TYR1559  38.192 -10.396  -8.653
  391    HD2  TYR1559           HD2      TYR1559  35.474 -13.713  -9.102
  392    HE1  TYR1559           HE1      TYR1559  37.117  -9.800  -6.510
  393    HE2  TYR1559           HE2      TYR1559  34.298 -13.027  -7.025
  394    HH   TYR1559           HH       TYR1559  34.251 -11.576  -5.235
  395    H    VAL1560           H        VAL1560  40.796 -13.360 -10.955
  396    HA   VAL1560           HA       VAL1560  40.260 -14.614 -13.488
  397    HB   VAL1560           HB       VAL1560  41.782 -12.546 -12.861
  398   HG11  VAL1560          HG11      VAL1560  43.938 -14.693 -13.120
  399   HG12  VAL1560          HG12      VAL1560  43.466 -13.975 -11.576
  400   HG13  VAL1560          HG13      VAL1560  44.149 -12.950 -12.840
  401   HG21  VAL1560          HG21      VAL1560  42.494 -14.466 -15.105
  402   HG22  VAL1560          HG22      VAL1560  42.895 -12.738 -15.019
  403   HG23  VAL1560          HG23      VAL1560  41.202 -13.243 -15.133
  404    H    VAL1561           H        VAL1561  42.047 -15.784 -10.660
  405    HA   VAL1561           HA       VAL1561  43.774 -17.571 -11.978
  406    HB   VAL1561           HB       VAL1561  42.743 -17.466  -9.136
  407   HG11  VAL1561          HG11      VAL1561  43.200 -19.858  -9.477
  408   HG12  VAL1561          HG12      VAL1561  44.499 -19.133  -8.532
  409   HG13  VAL1561          HG13      VAL1561  44.761 -19.479 -10.253
  410   HG21  VAL1561          HG21      VAL1561  45.533 -17.123 -10.348
  411   HG22  VAL1561          HG22      VAL1561  45.041 -16.766  -8.678
  412   HG23  VAL1561          HG23      VAL1561  44.438 -15.779 -10.011
  413    H    LYS1562           H        LYS1562  43.503 -19.258 -13.092
  414    HA   LYS1562           HA       LYS1562  42.531 -20.843 -14.334
  415    HB2  LYS1562           HB2      LYS1562  41.749 -21.922 -11.584
  416    HB3  LYS1562           HB3      LYS1562  41.738 -22.857 -13.091
  417    HG2  LYS1562           HG2      LYS1562  44.184 -22.501 -13.344
  418    HG3  LYS1562           HG3      LYS1562  44.209 -21.561 -11.849
  419    HD2  LYS1562           HD2      LYS1562  45.001 -23.760 -11.357
  420    HD3  LYS1562           HD3      LYS1562  43.426 -23.552 -10.579
  421    HE2  LYS1562           HE2      LYS1562  42.350 -24.824 -12.430
  422    HE3  LYS1562           HE3      LYS1562  43.913 -24.982 -13.239
  423    HZ1  LYS1562           HZ1      LYS1562  43.269 -26.125 -10.566
  424    HZ2  LYS1562           HZ2      LYS1562  44.709 -26.276 -11.327
  425    HZ3  LYS1562           HZ3      LYS1562  43.377 -26.979 -11.953
  426    HA   LYS  12           HA       LYS  12  53.466  -2.448 -20.008
  427    H    GLY  13           H        GLY  13  54.708   0.525 -18.465
  428    HA2  GLY  13           HA2      GLY  13  53.604   2.451 -17.738
  429    HA3  GLY  13           HA3      GLY  13  52.076   1.825 -18.345
  430    H    GLY  14           H        GLY  14  50.965   2.415 -16.464
  431    HA2  GLY  14           HA2      GLY  14  49.849   1.883 -14.533
  432    HA3  GLY  14           HA3      GLY  14  50.696   0.341 -14.534
  433    H    ALA  15           H        ALA  15  52.866   3.002 -14.375
  434    HA   ALA  15           HA       ALA  15  53.346   2.552 -11.482
  435    HB1  ALA  15           HB1      ALA  15  55.188   2.122 -13.141
  436    HB2  ALA  15           HB2      ALA  15  55.595   3.364 -11.938
  437    HB3  ALA  15           HB3      ALA  15  55.132   3.836 -13.586
  438   HH31  ALY  16           H26      ALY  16  46.098  10.174  -6.289
  439   HH32  ALY  16           H27      ALY  16  45.802   8.834  -7.424
  440   HH33  ALY  16           H28      ALY  16  45.333  10.495  -7.865
  441    HZ   ALY  16           HZ1      ALY  16  48.178   8.783  -6.624
  442    HE3  ALY  16           HE3      ALY  16  49.993  10.166  -8.564
  443    HE2  ALY  16           HE2      ALY  16  50.468   9.476  -7.000
  444    HD3  ALY  16           HD3      ALY  16  49.880   7.212  -7.812
  445    HD2  ALY  16           HD2      ALY  16  49.394   7.887  -9.381
  446    HG3  ALY  16           HG3      ALY  16  51.700   8.686  -9.776
  447    HG2  ALY  16           HG2      ALY  16  52.186   8.107  -8.169
  448    HB3  ALY  16           HB3      ALY  16  51.591   5.783  -8.823
  449    HB2  ALY  16           HB2      ALY  16  51.098   6.371 -10.418
  450    HA   ALY  16           HA       ALY  16  53.375   7.062 -10.924
  451    H    ALY  16           H        ALY  16  53.610   4.238 -10.020
  452    H    ARG  17           H        ARG  17  55.128   8.096 -10.123
  453    HA   ARG  17           HA       ARG  17  56.634   7.116  -7.792
  454    HB2  ARG  17           HB2      ARG  17  56.844   9.602  -9.548
  455    HB3  ARG  17           HB3      ARG  17  57.916   9.284  -8.175
  456    HG2  ARG  17           HG2      ARG  17  58.775   7.262  -9.175
  457    HG3  ARG  17           HG3      ARG  17  57.587   7.325 -10.485
  458    HD2  ARG  17           HD2      ARG  17  59.781   8.090 -11.274
  459    HD3  ARG  17           HD3      ARG  17  58.577   9.359 -11.369
  460    HE   ARG  17           HE       ARG  17  59.695  10.612  -9.772
  461   HH11  ARG  17          HH11      ARG  17  61.301   7.472  -9.932
  462   HH12  ARG  17          HH12      ARG  17  62.611   8.025  -8.923
  463   HH21  ARG  17          HH21      ARG  17  61.406  11.217  -8.516
  464   HH22  ARG  17          HH22      ARG  17  62.682  10.090  -8.165
  465    H    HIS  18           H        HIS  18  54.353   9.744  -8.356
  466    HA   HIS  18           HA       HIS  18  54.702  11.131  -5.895
  467    HB2  HIS  18           HB2      HIS  18  52.231  11.050  -7.664
  468    HB3  HIS  18           HB3      HIS  18  52.709  12.343  -6.574
  469    HD2  HIS  18           HD2      HIS  18  54.335  14.193  -7.538
  470    HE1  HIS  18           HE1      HIS  18  55.132  12.444 -11.350
  471    HE2  HIS  18           HE2      HIS  18  55.447  14.523  -9.906
  472    H    ARG  19           H        ARG  19  53.037  11.466  -4.209
  473    HA   ARG  19           HA       ARG  19  51.633  10.743  -2.507
  Start of MODEL   12
    1    H    SER1503           H        SER1503  44.707   7.167   2.703
    2    HA   SER1503           HA       SER1503  43.703   9.073   1.844
    3    HB2  SER1503           HB2      SER1503  46.144   9.595   1.912
    4    HB3  SER1503           HB3      SER1503  46.280   9.080   0.229
    5    HG   SER1503           HG       SER1503  44.860  11.321   1.279
    6    H    LEU1504           H        LEU1504  44.575   6.671  -0.443
    7    HA   LEU1504           HA       LEU1504  42.317   7.403  -2.251
    8    HB2  LEU1504           HB2      LEU1504  45.125   6.651  -3.215
    9    HB3  LEU1504           HB3      LEU1504  43.674   6.537  -4.190
   10    HG   LEU1504           HG       LEU1504  43.364   9.081  -3.751
   11   HD11  LEU1504          HD11      LEU1504  45.488  10.332  -3.558
   12   HD12  LEU1504          HD12      LEU1504  46.377   8.820  -3.314
   13   HD13  LEU1504          HD13      LEU1504  45.228   9.385  -2.096
   14   HD21  LEU1504          HD21      LEU1504  44.770   9.579  -5.706
   15   HD22  LEU1504          HD22      LEU1504  43.861   8.079  -5.925
   16   HD23  LEU1504          HD23      LEU1504  45.595   8.010  -5.517
   17    H    VAL1505           H        VAL1505  44.617   4.986  -1.126
   18    HA   VAL1505           HA       VAL1505  42.527   2.943  -1.110
   19    HB   VAL1505           HB       VAL1505  45.228   2.459  -2.436
   20   HG11  VAL1505          HG11      VAL1505  42.971   0.517  -1.741
   21   HG12  VAL1505          HG12      VAL1505  44.617   0.515  -1.056
   22   HG13  VAL1505          HG13      VAL1505  44.376   0.137  -2.757
   23   HG21  VAL1505          HG21      VAL1505  43.651   3.463  -4.011
   24   HG22  VAL1505          HG22      VAL1505  42.368   2.333  -3.510
   25   HG23  VAL1505          HG23      VAL1505  43.802   1.747  -4.377
   26    H    THR1506           H        THR1506  42.550   2.102   0.761
   27    HA   THR1506           HA       THR1506  44.187   3.064   2.891
   28    HB   THR1506           HB       THR1506  42.072   0.898   2.850
   29    HG1  THR1506           HG1      THR1506  40.652   2.589   3.237
   30   HG21  THR1506          HG21      THR1506  41.469   1.722   5.165
   31   HG22  THR1506          HG22      THR1506  42.982   2.645   5.181
   32   HG23  THR1506          HG23      THR1506  42.999   0.868   5.124
   33    H    CYS1507           HN       CYS1507  45.475   1.155   0.849
   34    HA   CYS1507           HA       CYS1507  46.143  -1.170   0.851
   35    HB2  CYS1507           HB2      CYS1507  47.663   0.763   0.256
   36    HB3  CYS1507           HB3      CYS1507  48.373   0.589   1.864
   37    HA   PRO1508           HA       PRO1508  45.675  -2.555   5.248
   38    HB2  PRO1508           HB2      PRO1508  44.881  -4.897   3.477
   39    HB3  PRO1508           HB3      PRO1508  44.329  -4.515   5.129
   40    HG2  PRO1508           HG2      PRO1508  42.796  -3.687   3.059
   41    HG3  PRO1508           HG3      PRO1508  43.230  -2.454   4.284
   42    HD2  PRO1508           HD2      PRO1508  44.601  -3.043   1.626
   43    HD3  PRO1508           HD3      PRO1508  44.029  -1.477   2.265
   44    H    ILE1509           H        ILE1509  47.610  -3.602   2.589
   45    HA   ILE1509           HA       ILE1509  48.998  -5.788   3.858
   46    HB   ILE1509           HB       ILE1509  50.065  -4.026   1.622
   47   HG12  ILE1509          HG12      ILE1509  48.275  -6.506   1.414
   48   HG13  ILE1509          HG13      ILE1509  47.778  -4.859   1.021
   49   HG21  ILE1509          HG21      ILE1509  51.684  -5.559   2.715
   50   HG22  ILE1509          HG22      ILE1509  51.340  -6.096   1.079
   51   HG23  ILE1509          HG23      ILE1509  50.560  -6.916   2.457
   52   HD11  ILE1509          HD11      ILE1509  48.215  -5.998  -1.018
   53   HD12  ILE1509          HD12      ILE1509  49.830  -6.495  -0.501
   54   HD13  ILE1509          HD13      ILE1509  49.473  -4.771  -0.793
   55    H    CYS1510           HN       CYS1510  49.635  -2.272   3.741
   56    HA   CYS1510           HA       CYS1510  51.681  -2.563   5.873
   57    HB2  CYS1510           HB2      CYS1510  52.243  -0.221   5.313
   58    HB3  CYS1510           HB3      CYS1510  52.584  -1.387   4.021
   59    H    HIS1511           H        HIS1511  48.462  -2.038   5.510
   60    HA   HIS1511           HA       HIS1511  46.735  -1.323   6.702
   61    HB2  HIS1511           HB2      HIS1511  47.832  -2.623   8.531
   62    HB3  HIS1511           HB3      HIS1511  48.421  -1.080   9.165
   63    HD2  HIS1511           HD2      HIS1511  46.856  -0.038  10.935
   64    HE1  HIS1511           HE1      HIS1511  43.122  -1.724   9.738
   65    HE2  HIS1511           HE2      HIS1511  44.275  -0.237  11.453
   66    H    ALA1512           H        ALA1512  47.456   0.377   5.088
   67    HA   ALA1512           HA       ALA1512  46.931   2.349   4.392
   68    HB1  ALA1512           HB1      ALA1512  45.073   1.829   6.023
   69    HB2  ALA1512           HB2      ALA1512  45.218   3.515   5.473
   70    HB3  ALA1512           HB3      ALA1512  45.793   3.043   7.090
   71    HA   PRO1513           HA       PRO1513  49.916   5.444   6.531
   72    HB2  PRO1513           HB2      PRO1513  52.491   4.618   6.466
   73    HB3  PRO1513           HB3      PRO1513  51.386   4.126   7.772
   74    HG2  PRO1513           HG2      PRO1513  52.013   2.555   5.242
   75    HG3  PRO1513           HG3      PRO1513  52.170   2.000   6.940
   76    HD2  PRO1513           HD2      PRO1513  49.919   1.490   5.517
   77    HD3  PRO1513           HD3      PRO1513  49.845   1.944   7.242
   78    H    TYR1514           H        TYR1514  48.711   5.531   4.192
   79    HA   TYR1514           HA       TYR1514  50.289   5.159   1.838
   80    HB2  TYR1514           HB2      TYR1514  47.788   5.079   2.029
   81    HB3  TYR1514           HB3      TYR1514  47.771   6.821   2.212
   82    HD1  TYR1514           HD1      TYR1514  47.732   4.081  -0.101
   83    HD2  TYR1514           HD2      TYR1514  48.715   8.269   0.243
   84    HE1  TYR1514           HE1      TYR1514  47.575   4.305  -2.563
   85    HE2  TYR1514           HE2      TYR1514  48.594   8.489  -2.228
   86    HH   TYR1514           HH       TYR1514  47.641   5.785  -4.365
   87    H    VAL1515           H        VAL1515  51.785   6.410   0.891
   88    HA   VAL1515           HA       VAL1515  51.467   9.289   0.742
   89    HB   VAL1515           HB       VAL1515  52.740   9.085   2.842
   90   HG11  VAL1515          HG11      VAL1515  55.012   7.890   1.203
   91   HG12  VAL1515          HG12      VAL1515  54.024   7.006   2.385
   92   HG13  VAL1515          HG13      VAL1515  55.040   8.348   2.915
   93   HG21  VAL1515          HG21      VAL1515  53.034  11.046   1.371
   94   HG22  VAL1515          HG22      VAL1515  54.425  10.262   0.599
   95   HG23  VAL1515          HG23      VAL1515  54.484  10.679   2.318
   96    H    GLU1516           H        GLU1516  52.140  10.033  -1.204
   97    HA   GLU1516           HA       GLU1516  52.773   8.131  -3.250
   98    HB2  GLU1516           HB2      GLU1516  52.747  10.074  -4.734
   99    HB3  GLU1516           HB3      GLU1516  51.327   9.989  -3.714
  100    HG2  GLU1516           HG2      GLU1516  53.599  11.703  -2.729
  101    HG3  GLU1516           HG3      GLU1516  52.738  12.250  -4.160
  102    H    GLU1517           H        GLU1517  54.935   9.619  -1.136
  103    HA   GLU1517           HA       GLU1517  57.291   9.812  -2.801
  104    HB2  GLU1517           HB2      GLU1517  57.116  10.873  -0.588
  105    HB3  GLU1517           HB3      GLU1517  56.902   9.302   0.174
  106    HG2  GLU1517           HG2      GLU1517  59.153  10.164   0.524
  107    HG3  GLU1517           HG3      GLU1517  59.167   8.641  -0.354
  108    H    ASP1518           H        ASP1518  55.668   7.105  -1.153
  109    HA   ASP1518           HA       ASP1518  57.746   5.162  -1.985
  110    HB2  ASP1518           HB2      ASP1518  55.077   4.792  -0.581
  111    HB3  ASP1518           HB3      ASP1518  56.171   3.486  -1.038
  112    H    LEU1519           H        LEU1519  57.727   4.339  -4.005
  113    HA   LEU1519           HA       LEU1519  55.728   5.227  -5.814
  114    HB2  LEU1519           HB2      LEU1519  57.023   4.438  -7.527
  115    HB3  LEU1519           HB3      LEU1519  58.178   4.775  -6.265
  116    HG   LEU1519           HG       LEU1519  57.677   2.082  -5.812
  117   HD11  LEU1519          HD11      LEU1519  56.262   1.955  -7.885
  118   HD12  LEU1519          HD12      LEU1519  57.743   0.986  -8.035
  119   HD13  LEU1519          HD13      LEU1519  57.623   2.564  -8.837
  120   HD21  LEU1519          HD21      LEU1519  59.902   3.136  -5.988
  121   HD22  LEU1519          HD22      LEU1519  59.715   3.237  -7.756
  122   HD23  LEU1519          HD23      LEU1519  59.800   1.653  -6.947
  123    H    LEU1520           H        LEU1520  54.273   4.135  -7.132
  124    HA   LEU1520           HA       LEU1520  53.031   1.745  -5.847
  125    HB2  LEU1520           HB2      LEU1520  51.596   4.095  -7.126
  126    HB3  LEU1520           HB3      LEU1520  50.879   2.709  -6.338
  127    HG   LEU1520           HG       LEU1520  52.525   3.684  -4.317
  128   HD11  LEU1520          HD11      LEU1520  51.254   6.069  -5.760
  129   HD12  LEU1520          HD12      LEU1520  53.004   5.750  -5.652
  130   HD13  LEU1520          HD13      LEU1520  52.079   6.102  -4.190
  131   HD21  LEU1520          HD21      LEU1520  50.464   4.520  -3.295
  132   HD22  LEU1520          HD22      LEU1520  50.181   2.951  -4.063
  133   HD23  LEU1520          HD23      LEU1520  49.632   4.448  -4.860
  134    H    ILE1521           H        ILE1521  51.718   0.455  -7.029
  135    HA   ILE1521           HA       ILE1521  52.031   0.334  -9.970
  136    HB   ILE1521           HB       ILE1521  53.232  -1.509  -9.026
  137   HG12  ILE1521          HG12      ILE1521  50.595  -2.688  -9.990
  138   HG13  ILE1521          HG13      ILE1521  51.692  -1.826 -11.066
  139   HG21  ILE1521          HG21      ILE1521  52.203  -1.681  -6.795
  140   HG22  ILE1521          HG22      ILE1521  52.217  -3.242  -7.600
  141   HG23  ILE1521          HG23      ILE1521  50.716  -2.305  -7.537
  142   HD11  ILE1521          HD11      ILE1521  52.140  -4.161 -11.298
  143   HD12  ILE1521          HD12      ILE1521  52.292  -4.389  -9.550
  144   HD13  ILE1521          HD13      ILE1521  53.516  -3.445 -10.430
  145    H    GLN1522           H        GLN1522  50.064  -0.401 -11.069
  146    HA   GLN1522           HA       GLN1522  47.557   0.086  -9.519
  147    HB2  GLN1522           HB2      GLN1522  48.387   1.867 -11.211
  148    HB3  GLN1522           HB3      GLN1522  47.943   0.707 -12.457
  149    HG2  GLN1522           HG2      GLN1522  45.601   0.692 -11.524
  150    HG3  GLN1522           HG3      GLN1522  46.117   1.869 -10.313
  151   HE21  GLN1522          HE21      GLN1522  44.503   3.341 -11.114
  152   HE22  GLN1522          HE22      GLN1522  44.689   4.163 -12.639
  153    H    CYS1523           HN       CYS1523  45.854  -1.359  -9.798
  154    HA   CYS1523           HA       CYS1523  46.310  -3.810 -11.274
  155    HB2  CYS1523           HB2      CYS1523  44.937  -3.767  -9.245
  156    HB3  CYS1523           HB3      CYS1523  43.750  -2.733 -10.064
  157    H    ARG1524           H        ARG1524  45.924  -4.255 -13.316
  158    HA   ARG1524           HA       ARG1524  45.058  -2.328 -15.290
  159    HB2  ARG1524           HB2      ARG1524  45.308  -4.167 -16.867
  160    HB3  ARG1524           HB3      ARG1524  46.641  -4.177 -15.716
  161    HG2  ARG1524           HG2      ARG1524  45.273  -5.941 -14.396
  162    HG3  ARG1524           HG3      ARG1524  44.227  -6.059 -15.801
  163    HD2  ARG1524           HD2      ARG1524  47.225  -6.328 -16.153
  164    HD3  ARG1524           HD3      ARG1524  46.334  -7.657 -15.448
  165    HE   ARG1524           HE       ARG1524  46.148  -6.696 -18.233
  166   HH11  ARG1524          HH11      ARG1524  44.735  -8.807 -15.792
  167   HH12  ARG1524          HH12      ARG1524  43.969  -9.819 -16.992
  168   HH21  ARG1524          HH21      ARG1524  45.127  -8.027 -19.703
  169   HH22  ARG1524          HH22      ARG1524  44.177  -9.374 -19.153
  170    H    HIS1525           H        HIS1525  43.233  -4.486 -13.286
  171    HA   HIS1525           HA       HIS1525  40.826  -4.376 -15.056
  172    HB2  HIS1525           HB2      HIS1525  41.627  -6.583 -14.283
  173    HB3  HIS1525           HB3      HIS1525  41.436  -6.058 -12.607
  174    HD2  HIS1525           HD2      HIS1525  39.144  -6.556 -11.519
  175    HE1  HIS1525           HE1      HIS1525  36.781  -7.194 -15.013
  176    HE2  HIS1525           HE2      HIS1525  36.781  -7.240 -12.466
  177    H    CYS1526           HN       CYS1526  41.810  -3.721 -11.673
  178    HA   CYS1526           HA       CYS1526  39.216  -2.573 -11.036
  179    HB2  CYS1526           HB2      CYS1526  41.765  -3.001  -9.411
  180    HB3  CYS1526           HB3      CYS1526  40.210  -2.459  -8.763
  181    H    GLU1527           H        GLU1527  42.317  -1.303 -12.011
  182    HA   GLU1527           HA       GLU1527  43.205   0.716 -12.252
  183    HB2  GLU1527           HB2      GLU1527  40.828   0.999 -13.276
  184    HB3  GLU1527           HB3      GLU1527  40.532   2.091 -11.945
  185    HG2  GLU1527           HG2      GLU1527  43.043   2.422 -13.609
  186    HG3  GLU1527           HG3      GLU1527  41.518   2.760 -14.391
  187    H    ARG1528           H        ARG1528  42.404  -0.343  -9.410
  188    HA   ARG1528           HA       ARG1528  42.891   2.048  -7.734
  189    HB2  ARG1528           HB2      ARG1528  42.393  -0.902  -7.187
  190    HB3  ARG1528           HB3      ARG1528  43.111   0.111  -5.946
  191    HG2  ARG1528           HG2      ARG1528  40.742  -0.022  -5.575
  192    HG3  ARG1528           HG3      ARG1528  41.186   1.640  -5.985
  193    HD2  ARG1528           HD2      ARG1528  40.340   1.326  -8.277
  194    HD3  ARG1528           HD3      ARG1528  39.980  -0.380  -7.917
  195    HE   ARG1528           HE       ARG1528  38.617   1.219  -6.018
  196   HH11  ARG1528          HH11      ARG1528  38.438   0.576  -9.468
  197   HH12  ARG1528          HH12      ARG1528  36.739   0.982  -9.544
  198   HH21  ARG1528          HH21      ARG1528  36.446   1.708  -6.193
  199   HH22  ARG1528          HH22      ARG1528  35.648   1.597  -7.734
  200    H    TRP1529           H        TRP1529  44.706   2.442  -6.543
  201    HA   TRP1529           HA       TRP1529  47.272   1.363  -7.568
  202    HB2  TRP1529           HB2      TRP1529  46.624   3.724  -5.761
  203    HB3  TRP1529           HB3      TRP1529  48.229   3.251  -6.302
  204    HD1  TRP1529           HD1      TRP1529  45.137   5.073  -7.475
  205    HE1  TRP1529           HE1      TRP1529  45.563   6.137  -9.768
  206    HE3  TRP1529           HE3      TRP1529  49.660   2.922  -8.523
  207    HZ2  TRP1529           HZ2      TRP1529  47.576   5.993 -11.848
  208    HZ3  TRP1529           HZ3      TRP1529  50.811   3.389 -10.667
  209    HH2  TRP1529           HH2      TRP1529  49.771   4.911 -12.345
  210    H    MET1530           H        MET1530  48.844   0.441  -6.264
  211    HA   MET1530           HA       MET1530  48.574   0.406  -3.331
  212    HB2  MET1530           HB2      MET1530  48.946  -2.017  -3.214
  213    HB3  MET1530           HB3      MET1530  47.390  -1.632  -3.928
  214    HG2  MET1530           HG2      MET1530  49.883  -2.400  -5.487
  215    HG3  MET1530           HG3      MET1530  48.641  -3.521  -4.989
  216    HE1  MET1530           HE1      MET1530  46.216  -3.652  -5.931
  217    HE2  MET1530           HE2      MET1530  45.594  -2.637  -7.257
  218    HE3  MET1530           HE3      MET1530  45.877  -1.926  -5.659
  219    H    HIS1531           H        HIS1531  50.653  -0.120  -2.273
  220    HA   HIS1531           HA       HIS1531  52.782   1.160  -3.681
  221    HB2  HIS1531           HB2      HIS1531  53.104  -0.497  -1.183
  222    HB3  HIS1531           HB3      HIS1531  54.134   0.823  -1.742
  223    HD2  HIS1531           HD2      HIS1531  52.613   3.324  -1.994
  224    HE1  HIS1531           HE1      HIS1531  50.199   2.339   1.369
  225    HE2  HIS1531           HE2      HIS1531  50.890   4.210  -0.249
  226    H    ALA1532           H        ALA1532  54.719   0.455  -4.534
  227    HA   ALA1532           HA       ALA1532  54.704  -2.019  -5.923
  228    HB1  ALA1532           HB1      ALA1532  57.015  -1.353  -6.528
  229    HB2  ALA1532           HB2      ALA1532  57.012  -0.143  -5.237
  230    HB3  ALA1532           HB3      ALA1532  55.893   0.014  -6.614
  231    H    GLY1533           H        GLY1533  56.531  -1.122  -2.926
  232    HA2  GLY1533           HA2      GLY1533  57.817  -3.623  -2.556
  233    HA3  GLY1533           HA3      GLY1533  57.497  -2.431  -1.292
  234    H    CYS1534           HN       CYS1534  54.602  -2.515  -1.389
  235    HA   CYS1534           HA       CYS1534  53.899  -4.800   0.141
  236    HB2  CYS1534           HB2      CYS1534  52.229  -2.757  -1.370
  237    HB3  CYS1534           HB3      CYS1534  51.575  -3.966  -0.267
  238    H    GLU1535           H        GLU1535  53.852  -4.280  -3.346
  239    HA   GLU1535           HA       GLU1535  52.821  -7.025  -3.819
  240    HB2  GLU1535           HB2      GLU1535  53.256  -4.666  -5.681
  241    HB3  GLU1535           HB3      GLU1535  52.649  -6.236  -6.198
  242    HG2  GLU1535           HG2      GLU1535  51.299  -4.390  -4.178
  243    HG3  GLU1535           HG3      GLU1535  50.851  -4.591  -5.842
  244    H    SER1536           H        SER1536  55.741  -6.054  -3.035
  245    HA   SER1536           HA       SER1536  57.794  -6.860  -3.222
  246    HB2  SER1536           HB2      SER1536  56.422  -9.033  -3.131
  247    HB3  SER1536           HB3      SER1536  56.840  -9.214  -4.839
  248    HG   SER1536           HG       SER1536  58.559  -9.171  -2.565
  249    H    LEU1537           H        LEU1537  56.908  -5.004  -5.305
  250    HA   LEU1537           HA       LEU1537  59.038  -5.486  -7.367
  251    HB2  LEU1537           HB2      LEU1537  56.827  -3.395  -7.348
  252    HB3  LEU1537           HB3      LEU1537  58.072  -3.570  -8.556
  253    HG   LEU1537           HG       LEU1537  56.370  -4.473  -9.687
  254   HD11  LEU1537          HD11      LEU1537  57.949  -6.321  -9.642
  255   HD12  LEU1537          HD12      LEU1537  56.295  -6.914  -9.692
  256   HD13  LEU1537          HD13      LEU1537  57.185  -6.969  -8.171
  257   HD21  LEU1537          HD21      LEU1537  54.680  -4.117  -7.998
  258   HD22  LEU1537          HD22      LEU1537  55.170  -5.603  -7.169
  259   HD23  LEU1537          HD23      LEU1537  54.465  -5.684  -8.796
  260    H    PHE1538           H        PHE1538  60.918  -4.276  -7.195
  261    HA   PHE1538           HA       PHE1538  61.054  -2.433  -4.853
  262    HB2  PHE1538           HB2      PHE1538  63.232  -4.050  -6.207
  263    HB3  PHE1538           HB3      PHE1538  63.403  -3.067  -4.749
  264    HD1  PHE1538           HD1      PHE1538  62.232  -6.294  -6.032
  265    HD2  PHE1538           HD2      PHE1538  62.285  -3.622  -2.648
  266    HE1  PHE1538           HE1      PHE1538  61.543  -8.153  -4.547
  267    HE2  PHE1538           HE2      PHE1538  61.626  -5.477  -1.167
  268    HZ   PHE1538           HZ       PHE1538  61.235  -7.764  -2.105
  269    H    THR1539           H        THR1539  60.809  -1.952  -8.103
  270    HA   THR1539           HA       THR1539  61.753   0.789  -7.924
  271    HB   THR1539           HB       THR1539  63.897  -0.245  -8.383
  272    HG1  THR1539           HG1      THR1539  64.392   0.997 -10.129
  273   HG21  THR1539          HG21      THR1539  63.261  -2.323  -9.500
  274   HG22  THR1539          HG22      THR1539  64.353  -1.393 -10.526
  275   HG23  THR1539          HG23      THR1539  62.617  -1.413 -10.886
  276    H    GLU1540           H        GLU1540  61.362   1.919 -10.112
  277    HA   GLU1540           HA       GLU1540  58.642   1.471 -10.983
  278    HB2  GLU1540           HB2      GLU1540  60.918   3.049 -12.249
  279    HB3  GLU1540           HB3      GLU1540  59.235   3.063 -12.802
  280    HG2  GLU1540           HG2      GLU1540  58.505   4.009 -10.658
  281    HG3  GLU1540           HG3      GLU1540  60.155   3.926 -10.030
  282    H    ASP1541           H        ASP1541  61.821   0.486 -12.349
  283    HA   ASP1541           HA       ASP1541  60.795  -0.612 -14.775
  284    HB2  ASP1541           HB2      ASP1541  63.236  -1.473 -13.190
  285    HB3  ASP1541           HB3      ASP1541  62.881  -1.932 -14.848
  286    H    ASP1542           H        ASP1542  60.918  -2.063 -11.510
  287    HA   ASP1542           HA       ASP1542  60.167  -4.741 -12.380
  288    HB2  ASP1542           HB2      ASP1542  60.123  -3.280  -9.710
  289    HB3  ASP1542           HB3      ASP1542  59.567  -4.915  -9.927
  290    H    VAL1543           H        VAL1543  58.417  -1.821 -11.232
  291    HA   VAL1543           HA       VAL1543  55.776  -3.041 -11.285
  292    HB   VAL1543           HB       VAL1543  56.701  -0.142 -11.398
  293   HG11  VAL1543          HG11      VAL1543  53.898  -1.297 -11.289
  294   HG12  VAL1543          HG12      VAL1543  54.542  -0.172 -12.481
  295   HG13  VAL1543          HG13      VAL1543  54.289   0.370 -10.817
  296   HG21  VAL1543          HG21      VAL1543  55.512  -1.903  -9.209
  297   HG22  VAL1543          HG22      VAL1543  55.729  -0.148  -9.080
  298   HG23  VAL1543          HG23      VAL1543  57.143  -1.198  -9.254
  299    H    GLU1544           H        GLU1544  57.630  -1.171 -13.686
  300    HA   GLU1544           HA       GLU1544  55.735  -1.228 -15.834
  301    HB2  GLU1544           HB2      GLU1544  58.760  -1.105 -15.645
  302    HB3  GLU1544           HB3      GLU1544  57.973  -1.132 -17.202
  303    HG2  GLU1544           HG2      GLU1544  57.284   0.924 -15.049
  304    HG3  GLU1544           HG3      GLU1544  58.644   1.134 -16.145
  305    H    GLN1545           H        GLN1545  58.213  -3.620 -14.794
  306    HA   GLN1545           HA       GLN1545  57.704  -5.482 -16.955
  307    HB2  GLN1545           HB2      GLN1545  59.363  -5.417 -14.534
  308    HB3  GLN1545           HB3      GLN1545  58.491  -6.925 -14.598
  309    HG2  GLN1545           HG2      GLN1545  60.664  -7.115 -15.682
  310    HG3  GLN1545           HG3      GLN1545  59.345  -7.432 -16.815
  311   HE21  GLN1545          HE21      GLN1545  60.155  -4.071 -15.931
  312   HE22  GLN1545          HE22      GLN1545  60.873  -3.696 -17.501
  313    H    ALA1546           H        ALA1546  56.394  -5.202 -13.602
  314    HA   ALA1546           HA       ALA1546  54.789  -7.492 -13.832
  315    HB1  ALA1546           HB1      ALA1546  53.644  -6.587 -11.814
  316    HB2  ALA1546           HB2      ALA1546  54.398  -5.006 -12.105
  317    HB3  ALA1546           HB3      ALA1546  55.403  -6.412 -11.708
  318    H    ALA1547           H        ALA1547  54.060  -4.108 -14.705
  319    HA   ALA1547           HA       ALA1547  51.313  -4.466 -15.437
  320    HB1  ALA1547           HB1      ALA1547  51.650  -2.353 -16.625
  321    HB2  ALA1547           HB2      ALA1547  53.415  -2.527 -16.473
  322    HB3  ALA1547           HB3      ALA1547  52.408  -2.290 -15.020
  323    H    ASP1548           H        ASP1548  54.333  -4.641 -17.466
  324    HA   ASP1548           HA       ASP1548  53.029  -5.378 -19.898
  325    HB2  ASP1548           HB2      ASP1548  55.385  -4.565 -19.658
  326    HB3  ASP1548           HB3      ASP1548  55.816  -6.098 -18.903
  327    H    GLU1549           H        GLU1549  54.072  -7.314 -17.129
  328    HA   GLU1549           HA       GLU1549  53.392  -9.918 -18.301
  329    HB2  GLU1549           HB2      GLU1549  54.066  -9.002 -15.482
  330    HB3  GLU1549           HB3      GLU1549  53.716 -10.673 -15.868
  331    HG2  GLU1549           HG2      GLU1549  55.910  -9.218 -17.382
  332    HG3  GLU1549           HG3      GLU1549  56.170  -9.813 -15.753
  333    H    GLY1550           H        GLY1550  51.404  -7.453 -17.348
  334    HA2  GLY1550           HA2      GLY1550  49.111  -7.372 -17.165
  335    HA3  GLY1550           HA3      GLY1550  49.042  -9.118 -17.390
  336    H    PHE1551           H        PHE1551  50.496  -7.097 -14.767
  337    HA   PHE1551           HA       PHE1551  49.789  -8.594 -12.568
  338    HB2  PHE1551           HB2      PHE1551  51.326  -6.779 -12.424
  339    HB3  PHE1551           HB3      PHE1551  50.127  -5.610 -12.947
  340    HD1  PHE1551           HD1      PHE1551  51.272  -7.697 -10.095
  341    HD2  PHE1551           HD2      PHE1551  48.501  -4.667 -11.404
  342    HE1  PHE1551           HE1      PHE1551  50.695  -7.193  -7.734
  343    HE2  PHE1551           HE2      PHE1551  47.910  -4.179  -9.056
  344    HZ   PHE1551           HZ       PHE1551  49.002  -5.442  -7.208
  345    H    ASP1552           H        ASP1552  48.001  -9.221 -11.655
  346    HA   ASP1552           HA       ASP1552  45.519  -7.555 -11.604
  347    HB2  ASP1552           HB2      ASP1552  45.777 -10.574 -11.403
  348    HB3  ASP1552           HB3      ASP1552  44.299  -9.652 -11.229
  349    H    CYS1553           HN       CYS1553  44.519  -7.349  -9.508
  350    HA   CYS1553           HA       CYS1553  46.556  -7.360  -7.436
  351    HB2  CYS1553           HB2      CYS1553  45.212  -5.802  -6.320
  352    HB3  CYS1553           HB3      CYS1553  45.135  -5.415  -8.007
  353    H    VAL1554           H        VAL1554  45.449  -7.439  -5.120
  354    HA   VAL1554           HA       VAL1554  45.082 -10.222  -4.540
  355    HB   VAL1554           HB       VAL1554  44.507  -7.960  -2.601
  356   HG11  VAL1554          HG11      VAL1554  43.892 -10.226  -1.911
  357   HG12  VAL1554          HG12      VAL1554  45.345  -9.726  -1.024
  358   HG13  VAL1554          HG13      VAL1554  45.482 -10.838  -2.422
  359   HG21  VAL1554          HG21      VAL1554  47.213  -9.190  -3.327
  360   HG22  VAL1554          HG22      VAL1554  46.895  -8.184  -1.891
  361   HG23  VAL1554          HG23      VAL1554  46.748  -7.483  -3.500
  362    H    SER1555           H        SER1555  42.768  -7.505  -4.836
  363    HA   SER1555           HA       SER1555  40.455  -9.060  -3.951
  364    HB2  SER1555           HB2      SER1555  40.573  -6.461  -5.525
  365    HB3  SER1555           HB3      SER1555  39.156  -7.135  -4.713
  366    HG   SER1555           HG       SER1555  40.148  -6.796  -2.712
  367    H    CYS1556           HN       CYS1556  42.211  -8.723  -6.930
  368    HA   CYS1556           HA       CYS1556  40.129  -9.377  -8.781
  369    HB2  CYS1556           HB2      CYS1556  43.064  -9.000  -8.749
  370    HB3  CYS1556           HB3      CYS1556  42.534 -10.289  -9.839
  371    H    GLN1557           H        GLN1557  42.236 -11.290  -6.652
  372    HA   GLN1557           HA       GLN1557  41.878 -13.803  -7.837
  373    HB2  GLN1557           HB2      GLN1557  42.183 -13.415  -4.846
  374    HB3  GLN1557           HB3      GLN1557  42.656 -14.775  -5.835
  375    HG2  GLN1557           HG2      GLN1557  43.894 -12.020  -5.810
  376    HG3  GLN1557           HG3      GLN1557  44.590 -13.472  -5.133
  377   HE21  GLN1557          HE21      GLN1557  45.214 -11.421  -7.471
  378   HE22  GLN1557          HE22      GLN1557  45.870 -12.536  -8.652
  379    HA   PRO1558           HA       PRO1558  37.868 -14.723  -5.384
  380    HB2  PRO1558           HB2      PRO1558  36.469 -12.710  -4.151
  381    HB3  PRO1558           HB3      PRO1558  37.638 -13.809  -3.356
  382    HG2  PRO1558           HG2      PRO1558  38.108 -11.010  -4.393
  383    HG3  PRO1558           HG3      PRO1558  38.620 -11.748  -2.840
  384    HD2  PRO1558           HD2      PRO1558  40.359 -11.571  -4.914
  385    HD3  PRO1558           HD3      PRO1558  40.325 -12.979  -3.830
  386    H    TYR1559           H        TYR1559  38.077 -11.474  -7.012
  387    HA   TYR1559           HA       TYR1559  35.472 -11.658  -8.216
  388    HB2  TYR1559           HB2      TYR1559  37.944 -10.288  -9.312
  389    HB3  TYR1559           HB3      TYR1559  36.289  -9.991  -9.805
  390    HD1  TYR1559           HD1      TYR1559  38.186  -7.868  -9.036
  391    HD2  TYR1559           HD2      TYR1559  35.359 -10.090  -6.633
  392    HE1  TYR1559           HE1      TYR1559  38.036  -5.971  -7.442
  393    HE2  TYR1559           HE2      TYR1559  35.223  -8.201  -5.050
  394    HH   TYR1559           HH       TYR1559  35.900  -6.048  -4.558
  395    H    VAL1560           H        VAL1560  38.643 -12.725  -9.449
  396    HA   VAL1560           HA       VAL1560  37.484 -13.651 -11.944
  397    HB   VAL1560           HB       VAL1560  39.659 -12.348 -11.581
  398   HG11  VAL1560          HG11      VAL1560  41.706 -13.507 -11.297
  399   HG12  VAL1560          HG12      VAL1560  40.932 -15.103 -11.363
  400   HG13  VAL1560          HG13      VAL1560  40.686 -14.048  -9.959
  401   HG21  VAL1560          HG21      VAL1560  39.713 -14.737 -13.458
  402   HG22  VAL1560          HG22      VAL1560  40.675 -13.251 -13.584
  403   HG23  VAL1560          HG23      VAL1560  38.915 -13.172 -13.767
  404    H    VAL1561           H        VAL1561  38.584 -15.387  -9.055
  405    HA   VAL1561           HA       VAL1561  37.747 -17.928 -10.326
  406    HB   VAL1561           HB       VAL1561  40.096 -17.604 -11.005
  407   HG11  VAL1561          HG11      VAL1561  41.934 -17.815  -9.448
  408   HG12  VAL1561          HG12      VAL1561  40.837 -17.890  -8.061
  409   HG13  VAL1561          HG13      VAL1561  40.973 -16.396  -9.017
  410   HG21  VAL1561          HG21      VAL1561  40.901 -19.810 -10.473
  411   HG22  VAL1561          HG22      VAL1561  39.151 -19.879 -10.739
  412   HG23  VAL1561          HG23      VAL1561  39.803 -19.944  -9.086
  413    H    LYS1562           H        LYS1562  38.816 -16.331  -7.334
  414    HA   LYS1562           HA       LYS1562  38.619 -16.869  -5.116
  415    HB2  LYS1562           HB2      LYS1562  36.222 -16.399  -5.835
  416    HB3  LYS1562           HB3      LYS1562  35.967 -18.141  -5.911
  417    HG2  LYS1562           HG2      LYS1562  36.560 -18.327  -3.501
  418    HG3  LYS1562           HG3      LYS1562  36.867 -16.581  -3.438
  419    HD2  LYS1562           HD2      LYS1562  34.495 -16.142  -4.037
  420    HD3  LYS1562           HD3      LYS1562  34.190 -17.893  -4.106
  421    HE2  LYS1562           HE2      LYS1562  34.850 -18.093  -1.718
  422    HE3  LYS1562           HE3      LYS1562  35.144 -16.351  -1.645
  423    HZ1  LYS1562           HZ1      LYS1562  32.768 -16.002  -2.145
  424    HZ2  LYS1562           HZ2      LYS1562  32.927 -16.913  -0.799
  425    HZ3  LYS1562           HZ3      LYS1562  32.502 -17.617  -2.208
  426    HA   LYS  12           HA       LYS  12  54.567  -1.273 -20.512
  427    H    GLY  13           H        GLY  13  54.713   0.486 -18.574
  428    HA2  GLY  13           HA2      GLY  13  53.534   2.370 -17.845
  429    HA3  GLY  13           HA3      GLY  13  52.016   1.617 -18.317
  430    H    GLY  14           H        GLY  14  51.117   2.356 -16.331
  431    HA2  GLY  14           HA2      GLY  14  50.130   1.820 -14.341
  432    HA3  GLY  14           HA3      GLY  14  50.954   0.262 -14.419
  433    H    ALA  15           H        ALA  15  53.223   2.838 -14.339
  434    HA   ALA  15           HA       ALA  15  53.710   2.416 -11.436
  435    HB1  ALA  15           HB1      ALA  15  55.566   3.513 -13.577
  436    HB2  ALA  15           HB2      ALA  15  55.547   1.833 -13.014
  437    HB3  ALA  15           HB3      ALA  15  55.995   3.133 -11.895
  438   HH31  ALY  16           H26      ALY  16  45.617  10.010  -7.934
  439   HH32  ALY  16           H27      ALY  16  45.629   8.261  -8.257
  440   HH33  ALY  16           H28      ALY  16  45.330   9.402  -9.582
  441    HZ   ALY  16           HZ1      ALY  16  47.740   8.501  -7.138
  442    HE3  ALY  16           HE3      ALY  16  49.973   9.703  -8.653
  443    HE2  ALY  16           HE2      ALY  16  50.050   8.941  -7.055
  444    HD3  ALY  16           HD3      ALY  16  49.838   6.712  -8.057
  445    HD2  ALY  16           HD2      ALY  16  49.587   7.425  -9.662
  446    HG3  ALY  16           HG3      ALY  16  51.867   8.407  -9.597
  447    HG2  ALY  16           HG2      ALY  16  52.134   7.671  -7.998
  448    HB3  ALY  16           HB3      ALY  16  51.813   5.426  -8.966
  449    HB2  ALY  16           HB2      ALY  16  51.425   6.136 -10.535
  450    HA   ALY  16           HA       ALY  16  53.666   6.916 -10.856
  451    H    ALY  16           H        ALY  16  53.966   4.084  -9.985
  452    H    ARG  17           H        ARG  17  54.838   8.333  -9.649
  453    HA   ARG  17           HA       ARG  17  55.552   7.821  -6.843
  454    HB2  ARG  17           HB2      ARG  17  57.312   6.604  -8.232
  455    HB3  ARG  17           HB3      ARG  17  57.744   8.156  -8.944
  456    HG2  ARG  17           HG2      ARG  17  58.400   9.001  -6.700
  457    HG3  ARG  17           HG3      ARG  17  57.885   7.479  -5.966
  458    HD2  ARG  17           HD2      ARG  17  60.370   7.696  -6.272
  459    HD3  ARG  17           HD3      ARG  17  59.663   6.265  -7.017
  460    HE   ARG  17           HE       ARG  17  60.286   6.990  -9.108
  461   HH11  ARG  17          HH11      ARG  17  60.602   9.869  -7.083
  462   HH12  ARG  17          HH12      ARG  17  61.475  10.703  -8.332
  463   HH21  ARG  17          HH21      ARG  17  61.252   8.049 -10.553
  464   HH22  ARG  17          HH22      ARG  17  61.856   9.690 -10.319
  465    H    HIS  18           H        HIS  18  56.020   9.719  -5.727
  466    HA   HIS  18           HA       HIS  18  55.314  12.274  -6.796
  467    HB2  HIS  18           HB2      HIS  18  55.208  11.640  -4.411
  468    HB3  HIS  18           HB3      HIS  18  56.966  11.564  -4.345
  469    HD2  HIS  18           HD2      HIS  18  58.000  13.689  -3.313
  470    HE1  HIS  18           HE1      HIS  18  55.115  16.598  -4.515
  471    HE2  HIS  18           HE2      HIS  18  57.293  16.227  -3.245
  472    H    ARG  19           H        ARG  19  56.538  14.125  -7.252
  473    HA   ARG  19           HA       ARG  19  59.349  14.393  -7.283
  Start of MODEL   13
    1    H    SER1503           H        SER1503  40.558   3.450  -2.112
    2    HA   SER1503           HA       SER1503  40.449   5.995  -3.446
    3    HB2  SER1503           HB2      SER1503  39.890   6.823  -1.232
    4    HB3  SER1503           HB3      SER1503  41.306   6.020  -0.530
    5    HG   SER1503           HG       SER1503  41.413   8.392  -1.164
    6    H    LEU1504           H        LEU1504  42.520   6.845  -3.996
    7    HA   LEU1504           HA       LEU1504  44.670   4.951  -4.481
    8    HB2  LEU1504           HB2      LEU1504  44.042   6.867  -5.919
    9    HB3  LEU1504           HB3      LEU1504  44.541   8.005  -4.679
   10    HG   LEU1504           HG       LEU1504  46.468   6.000  -5.922
   11   HD11  LEU1504          HD11      LEU1504  47.097   7.688  -7.528
   12   HD12  LEU1504          HD12      LEU1504  45.965   8.871  -6.816
   13   HD13  LEU1504          HD13      LEU1504  45.359   7.449  -7.675
   14   HD21  LEU1504          HD21      LEU1504  48.172   7.744  -5.388
   15   HD22  LEU1504          HD22      LEU1504  47.421   7.113  -3.937
   16   HD23  LEU1504          HD23      LEU1504  46.923   8.697  -4.561
   17    H    VAL1505           H        VAL1505  43.902   7.374  -2.048
   18    HA   VAL1505           HA       VAL1505  46.498   7.332  -0.744
   19    HB   VAL1505           HB       VAL1505  44.014   8.616   0.406
   20   HG11  VAL1505          HG11      VAL1505  45.623  10.303   1.213
   21   HG12  VAL1505          HG12      VAL1505  46.953   9.459   0.395
   22   HG13  VAL1505          HG13      VAL1505  46.127   8.717   1.776
   23   HG21  VAL1505          HG21      VAL1505  45.772   9.743  -1.817
   24   HG22  VAL1505          HG22      VAL1505  44.623  10.694  -0.853
   25   HG23  VAL1505          HG23      VAL1505  44.023   9.418  -1.900
   26    H    THR1506           H        THR1506  45.135   4.706  -0.896
   27    HA   THR1506           HA       THR1506  45.119   3.930   1.898
   28    HB   THR1506           HB       THR1506  42.732   3.222   0.152
   29    HG1  THR1506           HG1      THR1506  41.554   4.493   1.671
   30   HG21  THR1506          HG21      THR1506  42.986   2.834   3.161
   31   HG22  THR1506          HG22      THR1506  43.553   1.586   2.049
   32   HG23  THR1506          HG23      THR1506  41.857   2.075   2.039
   33    H    CYS1507           HN       CYS1507  46.577   2.380   1.803
   34    HA   CYS1507           HA       CYS1507  46.440   0.304  -0.345
   35    HB2  CYS1507           HB2      CYS1507  48.512   1.580  -0.386
   36    HB3  CYS1507           HB3      CYS1507  48.781   1.223   1.326
   37    HA   PRO1508           HA       PRO1508  44.654  -1.771   3.374
   38    HB2  PRO1508           HB2      PRO1508  44.106  -3.591   1.000
   39    HB3  PRO1508           HB3      PRO1508  43.133  -3.377   2.480
   40    HG2  PRO1508           HG2      PRO1508  42.438  -1.954   0.290
   41    HG3  PRO1508           HG3      PRO1508  42.629  -1.044   1.823
   42    HD2  PRO1508           HD2      PRO1508  44.653  -1.437  -0.423
   43    HD3  PRO1508           HD3      PRO1508  44.117   0.083   0.353
   44    H    ILE1509           H        ILE1509  47.211  -2.622   1.212
   45    HA   ILE1509           HA       ILE1509  47.749  -5.272   2.314
   46    HB   ILE1509           HB       ILE1509  49.742  -3.545   0.821
   47   HG12  ILE1509          HG12      ILE1509  47.638  -5.432  -0.351
   48   HG13  ILE1509          HG13      ILE1509  47.646  -3.677  -0.524
   49   HG21  ILE1509          HG21      ILE1509  49.367  -6.557   1.179
   50   HG22  ILE1509          HG22      ILE1509  50.600  -5.566   1.984
   51   HG23  ILE1509          HG23      ILE1509  50.679  -5.799   0.247
   52   HD11  ILE1509          HD11      ILE1509  49.669  -5.589  -1.728
   53   HD12  ILE1509          HD12      ILE1509  49.830  -3.817  -1.723
   54   HD13  ILE1509          HD13      ILE1509  48.465  -4.588  -2.547
   55    H    CYS1510           HN       CYS1510  49.071  -1.983   2.929
   56    HA   CYS1510           HA       CYS1510  50.336  -2.961   5.430
   57    HB2  CYS1510           HB2      CYS1510  51.392  -0.733   5.461
   58    HB3  CYS1510           HB3      CYS1510  51.862  -1.740   4.089
   59    H    HIS1511           H        HIS1511  47.425  -1.849   4.454
   60    HA   HIS1511           HA       HIS1511  45.551  -1.034   5.339
   61    HB2  HIS1511           HB2      HIS1511  46.073  -2.670   7.182
   62    HB3  HIS1511           HB3      HIS1511  46.620  -1.267   8.121
   63    HD2  HIS1511           HD2      HIS1511  44.770  -0.246   9.613
   64    HE1  HIS1511           HE1      HIS1511  41.305  -1.382   7.397
   65    HE2  HIS1511           HE2      HIS1511  42.135  -0.218   9.502
   66    H    ALA1512           H        ALA1512  47.157   0.664   4.262
   67    HA   ALA1512           HA       ALA1512  47.135   2.753   3.686
   68    HB1  ALA1512           HB1      ALA1512  45.323   4.150   4.300
   69    HB2  ALA1512           HB2      ALA1512  45.130   3.333   5.860
   70    HB3  ALA1512           HB3      ALA1512  44.774   2.455   4.359
   71    HA   PRO1513           HA       PRO1513  49.631   5.015   7.095
   72    HB2  PRO1513           HB2      PRO1513  51.936   3.711   7.635
   73    HB3  PRO1513           HB3      PRO1513  50.423   3.326   8.504
   74    HG2  PRO1513           HG2      PRO1513  51.569   1.884   6.074
   75    HG3  PRO1513           HG3      PRO1513  51.049   1.175   7.639
   76    HD2  PRO1513           HD2      PRO1513  49.374   1.271   5.492
   77    HD3  PRO1513           HD3      PRO1513  48.787   1.507   7.161
   78    H    TYR1514           H        TYR1514  49.279   5.786   4.759
   79    HA   TYR1514           HA       TYR1514  51.078   5.211   2.666
   80    HB2  TYR1514           HB2      TYR1514  48.728   6.201   2.603
   81    HB3  TYR1514           HB3      TYR1514  49.449   7.756   2.987
   82    HD1  TYR1514           HD1      TYR1514  50.972   8.878   1.301
   83    HD2  TYR1514           HD2      TYR1514  48.860   5.207   0.427
   84    HE1  TYR1514           HE1      TYR1514  51.328   9.249  -1.133
   85    HE2  TYR1514           HE2      TYR1514  49.175   5.617  -2.010
   86    HH   TYR1514           HH       TYR1514  51.023   8.414  -3.266
   87    H    VAL1515           H        VAL1515  52.769   6.339   1.681
   88    HA   VAL1515           HA       VAL1515  53.864   8.767   2.887
   89    HB   VAL1515           HB       VAL1515  54.939   7.007   4.200
   90   HG11  VAL1515          HG11      VAL1515  54.982   5.153   2.546
   91   HG12  VAL1515          HG12      VAL1515  56.566   5.464   3.268
   92   HG13  VAL1515          HG13      VAL1515  56.228   6.019   1.622
   93   HG21  VAL1515          HG21      VAL1515  56.145   9.120   3.691
   94   HG22  VAL1515          HG22      VAL1515  56.939   8.312   2.318
   95   HG23  VAL1515          HG23      VAL1515  57.218   7.742   3.974
   96    H    GLU1516           H        GLU1516  54.714  10.103   1.418
   97    HA   GLU1516           HA       GLU1516  54.117   9.591  -1.340
   98    HB2  GLU1516           HB2      GLU1516  55.552  11.860   0.096
   99    HB3  GLU1516           HB3      GLU1516  55.198  11.876  -1.630
  100    HG2  GLU1516           HG2      GLU1516  52.779  11.633  -1.160
  101    HG3  GLU1516           HG3      GLU1516  53.107  11.601   0.570
  102    H    GLU1517           H        GLU1517  57.102   9.177   0.416
  103    HA   GLU1517           HA       GLU1517  58.901   9.439  -1.794
  104    HB2  GLU1517           HB2      GLU1517  59.473   9.678   0.607
  105    HB3  GLU1517           HB3      GLU1517  59.198   7.958   0.847
  106    HG2  GLU1517           HG2      GLU1517  61.577   8.530   0.748
  107    HG3  GLU1517           HG3      GLU1517  61.114   7.381  -0.491
  108    H    ASP1518           H        ASP1518  56.821   6.761  -0.927
  109    HA   ASP1518           HA       ASP1518  58.530   4.762  -2.200
  110    HB2  ASP1518           HB2      ASP1518  56.889   4.449  -0.178
  111    HB3  ASP1518           HB3      ASP1518  55.665   4.245  -1.419
  112    H    LEU1519           H        LEU1519  57.918   3.429  -3.927
  113    HA   LEU1519           HA       LEU1519  56.607   4.800  -6.200
  114    HB2  LEU1519           HB2      LEU1519  58.900   3.772  -6.284
  115    HB3  LEU1519           HB3      LEU1519  58.191   2.194  -6.031
  116    HG   LEU1519           HG       LEU1519  58.960   2.865  -8.356
  117   HD11  LEU1519          HD11      LEU1519  56.129   1.851  -8.096
  118   HD12  LEU1519          HD12      LEU1519  57.642   0.898  -8.105
  119   HD13  LEU1519          HD13      LEU1519  57.115   1.773  -9.553
  120   HD21  LEU1519          HD21      LEU1519  56.305   4.286  -8.540
  121   HD22  LEU1519          HD22      LEU1519  57.528   4.129  -9.798
  122   HD23  LEU1519          HD23      LEU1519  57.874   5.134  -8.380
  123    H    LEU1520           H        LEU1520  54.717   4.107  -7.188
  124    HA   LEU1520           HA       LEU1520  53.237   1.894  -5.831
  125    HB2  LEU1520           HB2      LEU1520  52.120   4.469  -6.985
  126    HB3  LEU1520           HB3      LEU1520  51.192   3.125  -6.337
  127    HG   LEU1520           HG       LEU1520  52.892   3.605  -4.219
  128   HD11  LEU1520          HD11      LEU1520  53.783   5.673  -5.315
  129   HD12  LEU1520          HD12      LEU1520  52.919   6.011  -3.811
  130   HD13  LEU1520          HD13      LEU1520  52.138   6.332  -5.372
  131   HD21  LEU1520          HD21      LEU1520  50.995   4.661  -3.138
  132   HD22  LEU1520          HD22      LEU1520  50.452   3.283  -4.102
  133   HD23  LEU1520          HD23      LEU1520  50.205   4.941  -4.709
  134    H    ILE1521           H        ILE1521  51.636   0.815  -6.980
  135    HA   ILE1521           HA       ILE1521  51.992   0.485  -9.902
  136    HB   ILE1521           HB       ILE1521  53.264  -1.269  -8.804
  137   HG12  ILE1521          HG12      ILE1521  50.667  -2.507  -9.823
  138   HG13  ILE1521          HG13      ILE1521  51.862  -1.746 -10.878
  139   HG21  ILE1521          HG21      ILE1521  52.235  -2.946  -7.309
  140   HG22  ILE1521          HG22      ILE1521  50.696  -2.076  -7.362
  141   HG23  ILE1521          HG23      ILE1521  52.124  -1.344  -6.600
  142   HD11  ILE1521          HD11      ILE1521  53.574  -3.405  -9.994
  143   HD12  ILE1521          HD12      ILE1521  52.245  -4.102 -10.939
  144   HD13  ILE1521          HD13      ILE1521  52.239  -4.236  -9.173
  145    H    GLN1522           H        GLN1522  50.104  -0.248 -11.002
  146    HA   GLN1522           HA       GLN1522  47.533   0.091  -9.530
  147    HB2  GLN1522           HB2      GLN1522  48.326   2.004 -10.987
  148    HB3  GLN1522           HB3      GLN1522  48.197   0.921 -12.368
  149    HG2  GLN1522           HG2      GLN1522  45.733   0.626 -11.752
  150    HG3  GLN1522           HG3      GLN1522  45.972   1.871 -10.523
  151   HE21  GLN1522          HE21      GLN1522  44.457   3.284 -11.541
  152   HE22  GLN1522          HE22      GLN1522  44.815   4.059 -13.089
  153    H    CYS1523           HN       CYS1523  45.874  -1.342  -9.938
  154    HA   CYS1523           HA       CYS1523  46.306  -3.751 -11.499
  155    HB2  CYS1523           HB2      CYS1523  44.929  -3.836  -9.532
  156    HB3  CYS1523           HB3      CYS1523  43.843  -2.588 -10.156
  157    H    ARG1524           H        ARG1524  45.926  -4.141 -13.599
  158    HA   ARG1524           HA       ARG1524  45.119  -2.033 -15.404
  159    HB2  ARG1524           HB2      ARG1524  45.359  -3.639 -17.169
  160    HB3  ARG1524           HB3      ARG1524  46.703  -3.780 -16.063
  161    HG2  ARG1524           HG2      ARG1524  46.389  -5.936 -15.826
  162    HG3  ARG1524           HG3      ARG1524  44.773  -5.698 -15.156
  163    HD2  ARG1524           HD2      ARG1524  45.406  -5.783 -18.147
  164    HD3  ARG1524           HD3      ARG1524  44.995  -7.185 -17.185
  165    HE   ARG1524           HE       ARG1524  42.796  -6.268 -16.720
  166   HH11  ARG1524          HH11      ARG1524  40.957  -5.671 -17.647
  167   HH12  ARG1524          HH12      ARG1524  40.950  -4.693 -19.099
  168   HH21  ARG1524          HH21      ARG1524  44.383  -4.638 -19.412
  169   HH22  ARG1524          HH22      ARG1524  42.862  -4.128 -20.081
  170    H    HIS1525           H        HIS1525  43.152  -4.298 -13.665
  171    HA   HIS1525           HA       HIS1525  40.819  -3.913 -15.498
  172    HB2  HIS1525           HB2      HIS1525  41.005  -5.468 -12.896
  173    HB3  HIS1525           HB3      HIS1525  39.628  -5.405 -13.988
  174    HD2  HIS1525           HD2      HIS1525  42.293  -7.613 -13.081
  175    HE1  HIS1525           HE1      HIS1525  41.463  -8.706 -17.110
  176    HE2  HIS1525           HE2      HIS1525  42.673  -9.398 -14.975
  177    H    CYS1526           HN       CYS1526  41.534  -3.479 -12.011
  178    HA   CYS1526           HA       CYS1526  39.133  -1.993 -11.587
  179    HB2  CYS1526           HB2      CYS1526  41.450  -2.676  -9.729
  180    HB3  CYS1526           HB3      CYS1526  39.810  -2.224  -9.254
  181    H    GLU1527           H        GLU1527  42.318  -0.945 -12.378
  182    HA   GLU1527           HA       GLU1527  43.479   0.969 -12.303
  183    HB2  GLU1527           HB2      GLU1527  40.739   2.261 -12.245
  184    HB3  GLU1527           HB3      GLU1527  42.255   3.155 -12.402
  185    HG2  GLU1527           HG2      GLU1527  42.831   1.950 -14.445
  186    HG3  GLU1527           HG3      GLU1527  41.396   0.939 -14.286
  187    H    ARG1528           H        ARG1528  42.374  -0.250  -9.607
  188    HA   ARG1528           HA       ARG1528  42.880   1.920  -7.703
  189    HB2  ARG1528           HB2      ARG1528  42.707  -1.095  -7.232
  190    HB3  ARG1528           HB3      ARG1528  42.680   0.157  -5.993
  191    HG2  ARG1528           HG2      ARG1528  40.527  -0.474  -8.044
  192    HG3  ARG1528           HG3      ARG1528  40.452  -0.630  -6.293
  193    HD2  ARG1528           HD2      ARG1528  40.759   1.924  -6.199
  194    HD3  ARG1528           HD3      ARG1528  40.454   1.939  -7.940
  195    HE   ARG1528           HE       ARG1528  38.554   1.475  -5.754
  196   HH11  ARG1528          HH11      ARG1528  36.395   1.496  -6.152
  197   HH12  ARG1528          HH12      ARG1528  35.797   1.303  -7.772
  198   HH21  ARG1528          HH21      ARG1528  38.881   1.007  -9.256
  199   HH22  ARG1528          HH22      ARG1528  37.160   1.082  -9.469
  200    H    TRP1529           H        TRP1529  44.603   2.056  -6.280
  201    HA   TRP1529           HA       TRP1529  47.199   1.142  -7.389
  202    HB2  TRP1529           HB2      TRP1529  46.401   3.545  -5.709
  203    HB3  TRP1529           HB3      TRP1529  48.048   3.157  -6.174
  204    HD1  TRP1529           HD1      TRP1529  44.721   4.248  -7.763
  205    HE1  TRP1529           HE1      TRP1529  45.167   5.188 -10.106
  206    HE3  TRP1529           HE3      TRP1529  49.696   3.120  -8.145
  207    HZ2  TRP1529           HZ2      TRP1529  47.390   5.473 -11.869
  208    HZ3  TRP1529           HZ3      TRP1529  50.949   3.687 -10.200
  209    HH2  TRP1529           HH2      TRP1529  49.823   4.881 -12.085
  210    H    MET1530           H        MET1530  48.886   0.495  -6.171
  211    HA   MET1530           HA       MET1530  48.670   0.068  -3.236
  212    HB2  MET1530           HB2      MET1530  49.863  -2.043  -5.072
  213    HB3  MET1530           HB3      MET1530  49.404  -2.165  -3.383
  214    HG2  MET1530           HG2      MET1530  47.773  -3.401  -4.454
  215    HG3  MET1530           HG3      MET1530  46.973  -1.854  -4.218
  216    HE1  MET1530           HE1      MET1530  45.344  -3.361  -5.950
  217    HE2  MET1530           HE2      MET1530  45.238  -2.517  -7.515
  218    HE3  MET1530           HE3      MET1530  45.206  -1.594  -5.991
  219    H    HIS1531           H        HIS1531  50.874  -0.145  -2.221
  220    HA   HIS1531           HA       HIS1531  52.966   1.292  -3.660
  221    HB2  HIS1531           HB2      HIS1531  53.306  -0.382  -1.173
  222    HB3  HIS1531           HB3      HIS1531  54.401   0.835  -1.805
  223    HD2  HIS1531           HD2      HIS1531  53.258   3.481  -1.865
  224    HE1  HIS1531           HE1      HIS1531  50.813   2.697   1.532
  225    HE2  HIS1531           HE2      HIS1531  51.753   4.528  -0.004
  226    H    ALA1532           H        ALA1532  54.818   0.498  -4.648
  227    HA   ALA1532           HA       ALA1532  54.661  -2.013  -5.979
  228    HB1  ALA1532           HB1      ALA1532  57.016  -0.122  -5.474
  229    HB2  ALA1532           HB2      ALA1532  55.847  -0.023  -6.807
  230    HB3  ALA1532           HB3      ALA1532  56.961  -1.404  -6.701
  231    H    GLY1533           H        GLY1533  56.573  -1.035  -3.071
  232    HA2  GLY1533           HA2      GLY1533  57.846  -3.553  -2.640
  233    HA3  GLY1533           HA3      GLY1533  57.581  -2.294  -1.429
  234    H    CYS1534           HN       CYS1534  54.657  -2.339  -1.524
  235    HA   CYS1534           HA       CYS1534  53.982  -4.544   0.158
  236    HB2  CYS1534           HB2      CYS1534  52.322  -2.503  -1.365
  237    HB3  CYS1534           HB3      CYS1534  51.633  -3.738  -0.311
  238    H    GLU1535           H        GLU1535  53.535  -4.057  -3.340
  239    HA   GLU1535           HA       GLU1535  52.637  -6.849  -3.675
  240    HB2  GLU1535           HB2      GLU1535  52.981  -4.509  -5.560
  241    HB3  GLU1535           HB3      GLU1535  52.568  -6.117  -6.149
  242    HG2  GLU1535           HG2      GLU1535  50.959  -4.684  -3.988
  243    HG3  GLU1535           HG3      GLU1535  50.636  -4.514  -5.679
  244    H    SER1536           H        SER1536  55.525  -5.881  -2.898
  245    HA   SER1536           HA       SER1536  57.562  -6.721  -2.956
  246    HB2  SER1536           HB2      SER1536  56.198  -8.810  -2.635
  247    HB3  SER1536           HB3      SER1536  56.489  -9.182  -4.340
  248    HG   SER1536           HG       SER1536  58.734  -9.191  -3.892
  249    H    LEU1537           H        LEU1537  56.679  -5.171  -5.452
  250    HA   LEU1537           HA       LEU1537  58.783  -6.045  -7.367
  251    HB2  LEU1537           HB2      LEU1537  56.936  -3.628  -7.441
  252    HB3  LEU1537           HB3      LEU1537  58.200  -3.968  -8.599
  253    HG   LEU1537           HG       LEU1537  56.394  -4.659  -9.748
  254   HD11  LEU1537          HD11      LEU1537  57.953  -6.536  -9.729
  255   HD12  LEU1537          HD12      LEU1537  56.285  -7.086  -9.899
  256   HD13  LEU1537          HD13      LEU1537  57.099  -7.253  -8.340
  257   HD21  LEU1537          HD21      LEU1537  54.441  -5.794  -8.965
  258   HD22  LEU1537          HD22      LEU1537  54.734  -4.348  -7.979
  259   HD23  LEU1537          HD23      LEU1537  55.133  -5.953  -7.339
  260    H    PHE1538           H        PHE1538  60.783  -5.264  -7.408
  261    HA   PHE1538           HA       PHE1538  61.781  -3.910  -5.080
  262    HB2  PHE1538           HB2      PHE1538  62.982  -5.676  -6.278
  263    HB3  PHE1538           HB3      PHE1538  63.089  -4.665  -7.718
  264    HD1  PHE1538           HD1      PHE1538  64.990  -3.414  -8.118
  265    HD2  PHE1538           HD2      PHE1538  64.087  -4.651  -4.087
  266    HE1  PHE1538           HE1      PHE1538  67.149  -2.496  -7.360
  267    HE2  PHE1538           HE2      PHE1538  66.268  -3.737  -3.325
  268    HZ   PHE1538           HZ       PHE1538  67.804  -2.650  -4.956
  269    H    THR1539           H        THR1539  61.071  -2.705  -8.353
  270    HA   THR1539           HA       THR1539  61.449   0.085  -7.590
  271    HB   THR1539           HB       THR1539  63.805  -0.685  -7.943
  272    HG1  THR1539           HG1      THR1539  63.582   1.417  -8.373
  273   HG21  THR1539          HG21      THR1539  64.648  -1.204 -10.144
  274   HG22  THR1539          HG22      THR1539  63.044  -1.048 -10.869
  275   HG23  THR1539          HG23      THR1539  63.391  -2.385  -9.744
  276    H    GLU1540           H        GLU1540  61.319   1.473  -9.771
  277    HA   GLU1540           HA       GLU1540  58.712   0.972 -10.843
  278    HB2  GLU1540           HB2      GLU1540  59.756   3.197 -10.565
  279    HB3  GLU1540           HB3      GLU1540  60.909   2.810 -11.852
  280    HG2  GLU1540           HG2      GLU1540  59.111   2.703 -13.494
  281    HG3  GLU1540           HG3      GLU1540  57.886   2.789 -12.222
  282    H    ASP1541           H        ASP1541  61.935   0.233 -12.211
  283    HA   ASP1541           HA       ASP1541  61.042  -0.665 -14.773
  284    HB2  ASP1541           HB2      ASP1541  63.419  -0.248 -13.909
  285    HB3  ASP1541           HB3      ASP1541  63.328  -1.813 -13.126
  286    H    ASP1542           H        ASP1542  61.250  -2.310 -11.651
  287    HA   ASP1542           HA       ASP1542  60.478  -4.930 -12.639
  288    HB2  ASP1542           HB2      ASP1542  61.769  -4.255 -10.467
  289    HB3  ASP1542           HB3      ASP1542  60.175  -3.969  -9.776
  290    H    VAL1543           H        VAL1543  58.720  -2.105 -11.385
  291    HA   VAL1543           HA       VAL1543  56.077  -3.368 -11.469
  292    HB   VAL1543           HB       VAL1543  56.903  -0.443 -11.447
  293   HG11  VAL1543          HG11      VAL1543  54.135  -1.697 -11.370
  294   HG12  VAL1543          HG12      VAL1543  54.743  -0.560 -12.571
  295   HG13  VAL1543          HG13      VAL1543  54.482  -0.016 -10.905
  296   HG21  VAL1543          HG21      VAL1543  55.681  -2.295  -9.347
  297   HG22  VAL1543          HG22      VAL1543  55.910  -0.557  -9.157
  298   HG23  VAL1543          HG23      VAL1543  57.324  -1.607  -9.327
  299    H    GLU1544           H        GLU1544  58.027  -1.527 -13.870
  300    HA   GLU1544           HA       GLU1544  56.041  -1.608 -15.919
  301    HB2  GLU1544           HB2      GLU1544  58.220  -0.276 -15.823
  302    HB3  GLU1544           HB3      GLU1544  59.052  -1.719 -16.370
  303    HG2  GLU1544           HG2      GLU1544  56.695  -0.442 -17.833
  304    HG3  GLU1544           HG3      GLU1544  58.357   0.054 -18.097
  305    H    GLN1545           H        GLN1545  58.430  -4.048 -14.878
  306    HA   GLN1545           HA       GLN1545  57.820  -6.011 -16.899
  307    HB2  GLN1545           HB2      GLN1545  59.819  -6.210 -15.706
  308    HB3  GLN1545           HB3      GLN1545  59.081  -6.083 -14.145
  309    HG2  GLN1545           HG2      GLN1545  58.523  -8.428 -16.001
  310    HG3  GLN1545           HG3      GLN1545  59.924  -8.369 -14.933
  311   HE21  GLN1545          HE21      GLN1545  58.188  -6.996 -12.682
  312   HE22  GLN1545          HE22      GLN1545  57.307  -8.386 -12.078
  313    H    ALA1546           H        ALA1546  56.416  -5.398 -13.634
  314    HA   ALA1546           HA       ALA1546  54.481  -7.496 -13.782
  315    HB1  ALA1546           HB1      ALA1546  55.202  -6.248 -11.723
  316    HB2  ALA1546           HB2      ALA1546  53.446  -6.378 -11.893
  317    HB3  ALA1546           HB3      ALA1546  54.265  -4.852 -12.280
  318    H    ALA1547           H        ALA1547  54.305  -4.097 -14.914
  319    HA   ALA1547           HA       ALA1547  51.576  -4.154 -15.757
  320    HB1  ALA1547           HB1      ALA1547  53.933  -2.537 -16.802
  321    HB2  ALA1547           HB2      ALA1547  52.939  -2.106 -15.387
  322    HB3  ALA1547           HB3      ALA1547  52.217  -2.147 -17.013
  323    H    ASP1548           H        ASP1548  54.624  -4.895 -17.561
  324    HA   ASP1548           HA       ASP1548  53.374  -5.527 -20.068
  325    HB2  ASP1548           HB2      ASP1548  55.796  -5.055 -19.723
  326    HB3  ASP1548           HB3      ASP1548  55.955  -6.568 -18.830
  327    H    GLU1549           H        GLU1549  53.924  -7.418 -17.135
  328    HA   GLU1549           HA       GLU1549  52.862  -9.935 -18.237
  329    HB2  GLU1549           HB2      GLU1549  53.604  -9.027 -15.441
  330    HB3  GLU1549           HB3      GLU1549  52.953 -10.622 -15.766
  331    HG2  GLU1549           HG2      GLU1549  55.424  -9.658 -17.252
  332    HG3  GLU1549           HG3      GLU1549  55.511 -10.259 -15.609
  333    H    GLY1550           H        GLY1550  51.339  -7.101 -17.497
  334    HA2  GLY1550           HA2      GLY1550  49.111  -6.548 -17.397
  335    HA3  GLY1550           HA3      GLY1550  48.710  -8.249 -17.641
  336    H    PHE1551           H        PHE1551  50.438  -6.589 -14.938
  337    HA   PHE1551           HA       PHE1551  49.478  -7.992 -12.826
  338    HB2  PHE1551           HB2      PHE1551  51.223  -6.356 -12.608
  339    HB3  PHE1551           HB3      PHE1551  50.122  -5.034 -12.990
  340    HD1  PHE1551           HD1      PHE1551  51.257  -7.371 -10.356
  341    HD2  PHE1551           HD2      PHE1551  48.451  -4.253 -11.340
  342    HE1  PHE1551           HE1      PHE1551  50.732  -7.064  -7.945
  343    HE2  PHE1551           HE2      PHE1551  47.926  -3.949  -8.947
  344    HZ   PHE1551           HZ       PHE1551  49.062  -5.348  -7.244
  345    H    ASP1552           H        ASP1552  47.759  -8.226 -11.604
  346    HA   ASP1552           HA       ASP1552  45.562  -6.306 -11.579
  347    HB2  ASP1552           HB2      ASP1552  43.944  -8.245 -11.720
  348    HB3  ASP1552           HB3      ASP1552  44.660  -7.649 -13.197
  349    H    CYS1553           HN       CYS1553  44.243  -6.359  -9.722
  350    HA   CYS1553           HA       CYS1553  45.828  -7.148  -7.438
  351    HB2  CYS1553           HB2      CYS1553  44.605  -5.648  -6.199
  352    HB3  CYS1553           HB3      CYS1553  44.981  -4.904  -7.731
  353    H    VAL1554           H        VAL1554  42.812  -7.151  -6.189
  354    HA   VAL1554           HA       VAL1554  42.850 -10.141  -6.046
  355    HB   VAL1554           HB       VAL1554  41.907  -8.723  -3.634
  356   HG11  VAL1554          HG11      VAL1554  43.058 -10.704  -2.635
  357   HG12  VAL1554          HG12      VAL1554  43.631 -11.174  -4.258
  358   HG13  VAL1554          HG13      VAL1554  41.898 -11.202  -3.877
  359   HG21  VAL1554          HG21      VAL1554  44.221  -8.632  -2.730
  360   HG22  VAL1554          HG22      VAL1554  43.974  -7.456  -4.018
  361   HG23  VAL1554          HG23      VAL1554  44.863  -8.962  -4.356
  362    H    SER1555           H        SER1555  40.547  -7.424  -6.211
  363    HA   SER1555           HA       SER1555  38.253  -9.240  -5.830
  364    HB2  SER1555           HB2      SER1555  36.914  -7.201  -6.161
  365    HB3  SER1555           HB3      SER1555  38.114  -7.049  -4.861
  366    HG   SER1555           HG       SER1555  38.054  -5.199  -6.281
  367    H    CYS1556           HN       CYS1556  40.060  -7.969  -8.566
  368    HA   CYS1556           HA       CYS1556  38.129  -8.387 -10.617
  369    HB2  CYS1556           HB2      CYS1556  40.377  -8.525 -11.949
  370    HB3  CYS1556           HB3      CYS1556  39.896  -7.021 -11.177
  371    H    GLN1557           H        GLN1557  40.502 -10.442  -9.039
  372    HA   GLN1557           HA       GLN1557  40.549 -12.638 -10.700
  373    HB2  GLN1557           HB2      GLN1557  40.732 -12.903  -7.698
  374    HB3  GLN1557           HB3      GLN1557  41.485 -13.888  -8.937
  375    HG2  GLN1557           HG2      GLN1557  42.124 -10.972  -8.332
  376    HG3  GLN1557           HG3      GLN1557  43.057 -12.366  -7.805
  377   HE21  GLN1557          HE21      GLN1557  44.197 -10.263  -9.122
  378   HE22  GLN1557          HE22      GLN1557  44.795 -10.832 -10.661
  379    HA   PRO1558           HA       PRO1558  36.633 -14.672  -8.897
  380    HB2  PRO1558           HB2      PRO1558  34.965 -13.409  -7.157
  381    HB3  PRO1558           HB3      PRO1558  36.357 -14.419  -6.666
  382    HG2  PRO1558           HG2      PRO1558  36.237 -11.404  -6.921
  383    HG3  PRO1558           HG3      PRO1558  36.893 -12.404  -5.584
  384    HD2  PRO1558           HD2      PRO1558  38.532 -11.365  -7.487
  385    HD3  PRO1558           HD3      PRO1558  38.801 -12.973  -6.767
  386    H    TYR1559           H        TYR1559  36.324 -11.084  -9.334
  387    HA   TYR1559           HA       TYR1559  33.679 -11.403 -10.530
  388    HB2  TYR1559           HB2      TYR1559  35.375  -8.917 -10.235
  389    HB3  TYR1559           HB3      TYR1559  33.681  -8.977 -10.695
  390    HD1  TYR1559           HD1      TYR1559  33.082 -11.278  -8.446
  391    HD2  TYR1559           HD2      TYR1559  34.838  -7.330  -8.484
  392    HE1  TYR1559           HE1      TYR1559  32.436 -10.968  -6.085
  393    HE2  TYR1559           HE2      TYR1559  34.155  -7.016  -6.115
  394    HH   TYR1559           HH       TYR1559  32.433  -9.563  -4.255
  395    H    VAL1560           H        VAL1560  36.333  -9.517 -12.012
  396    HA   VAL1560           HA       VAL1560  35.142  -9.932 -14.611
  397    HB   VAL1560           HB       VAL1560  36.190  -7.822 -13.855
  398   HG11  VAL1560          HG11      VAL1560  38.871  -9.112 -14.509
  399   HG12  VAL1560          HG12      VAL1560  38.265  -8.844 -12.862
  400   HG13  VAL1560          HG13      VAL1560  38.558  -7.471 -13.926
  401   HG21  VAL1560          HG21      VAL1560  37.375  -8.893 -16.448
  402   HG22  VAL1560          HG22      VAL1560  37.147  -7.194 -15.998
  403   HG23  VAL1560          HG23      VAL1560  35.733  -8.232 -16.256
  404    H    VAL1561           H        VAL1561  38.071 -11.296 -13.119
  405    HA   VAL1561           HA       VAL1561  38.934 -12.680 -15.569
  406    HB   VAL1561           HB       VAL1561  39.877 -12.977 -12.695
  407   HG11  VAL1561          HG11      VAL1561  40.615 -14.884 -14.027
  408   HG12  VAL1561          HG12      VAL1561  41.982 -13.821 -13.718
  409   HG13  VAL1561          HG13      VAL1561  41.200 -13.793 -15.313
  410   HG21  VAL1561          HG21      VAL1561  41.789 -11.528 -13.386
  411   HG22  VAL1561          HG22      VAL1561  40.258 -10.670 -13.379
  412   HG23  VAL1561          HG23      VAL1561  40.955 -11.210 -14.925
  413    H    LYS1562           H        LYS1562  36.980 -13.292 -12.794
  414    HA   LYS1562           HA       LYS1562  36.042 -15.051 -11.816
  415    HB2  LYS1562           HB2      LYS1562  34.289 -16.099 -13.123
  416    HB3  LYS1562           HB3      LYS1562  34.391 -14.376 -13.450
  417    HG2  LYS1562           HG2      LYS1562  35.553 -14.798 -15.585
  418    HG3  LYS1562           HG3      LYS1562  35.528 -16.537 -15.280
  419    HD2  LYS1562           HD2      LYS1562  33.069 -14.755 -15.589
  420    HD3  LYS1562           HD3      LYS1562  33.784 -15.738 -16.873
  421    HE2  LYS1562           HE2      LYS1562  33.384 -17.800 -15.515
  422    HE3  LYS1562           HE3      LYS1562  32.614 -16.815 -14.263
  423    HZ1  LYS1562           HZ1      LYS1562  31.639 -17.072 -17.068
  424    HZ2  LYS1562           HZ2      LYS1562  30.925 -16.161 -15.912
  425    HZ3  LYS1562           HZ3      LYS1562  30.965 -17.785 -15.763
  426    HA   LYS  12           HA       LYS  12  56.611   3.191 -15.235
  427    H    GLY  13           H        GLY  13  55.226   2.773 -17.426
  428    HA2  GLY  13           HA2      GLY  13  53.180   2.065 -18.271
  429    HA3  GLY  13           HA3      GLY  13  53.384   0.541 -17.405
  430    H    GLY  14           H        GLY  14  51.822   0.188 -15.926
  431    HA2  GLY  14           HA2      GLY  14  50.103   2.248 -14.768
  432    HA3  GLY  14           HA3      GLY  14  50.108   0.518 -14.401
  433    H    ALA  15           H        ALA  15  52.299   3.335 -14.004
  434    HA   ALA  15           HA       ALA  15  52.753   2.650 -11.156
  435    HB1  ALA  15           HB1      ALA  15  55.157   2.859 -11.428
  436    HB2  ALA  15           HB2      ALA  15  54.970   3.296 -13.143
  437    HB3  ALA  15           HB3      ALA  15  54.565   1.662 -12.600
  438   HH31  ALY  16           H26      ALY  16  45.750   9.944 -11.168
  439   HH32  ALY  16           H27      ALY  16  46.154  10.847  -9.689
  440   HH33  ALY  16           H28      ALY  16  45.661   9.140  -9.592
  441    HZ   ALY  16           HZ1      ALY  16  47.895   9.735  -8.338
  442    HE3  ALY  16           HE3      ALY  16  50.243   9.233 -10.040
  443    HE2  ALY  16           HE2      ALY  16  50.256   9.582  -8.308
  444    HD3  ALY  16           HD3      ALY  16  49.389   7.313  -7.810
  445    HD2  ALY  16           HD2      ALY  16  49.281   6.968  -9.537
  446    HG3  ALY  16           HG3      ALY  16  51.812   7.456  -7.926
  447    HG2  ALY  16           HG2      ALY  16  51.239   5.908  -8.557
  448    HB3  ALY  16           HB3      ALY  16  51.422   6.901 -10.905
  449    HB2  ALY  16           HB2      ALY  16  52.221   8.285 -10.178
  450    HA   ALY  16           HA       ALY  16  53.978   7.001 -10.964
  451    H    ALY  16           H        ALY  16  53.422   4.395  -9.815
  452    H    ARG  17           H        ARG  17  54.487   8.667  -9.330
  453    HA   ARG  17           HA       ARG  17  55.077   7.732  -6.594
  454    HB2  ARG  17           HB2      ARG  17  57.140   7.721  -8.488
  455    HB3  ARG  17           HB3      ARG  17  57.286   9.337  -7.800
  456    HG2  ARG  17           HG2      ARG  17  57.129   8.044  -5.470
  457    HG3  ARG  17           HG3      ARG  17  57.493   6.634  -6.459
  458    HD2  ARG  17           HD2      ARG  17  59.580   7.236  -5.787
  459    HD3  ARG  17           HD3      ARG  17  59.508   8.065  -7.348
  460    HE   ARG  17           HE       ARG  17  58.576  10.033  -5.741
  461   HH11  ARG  17          HH11      ARG  17  59.213  11.192  -4.084
  462   HH12  ARG  17          HH12      ARG  17  60.652  10.764  -3.155
  463   HH21  ARG  17          HH21      ARG  17  61.401   8.034  -5.086
  464   HH22  ARG  17          HH22      ARG  17  61.821   9.007  -3.688
  465    H    HIS  18           H        HIS  18  55.702   9.525  -5.163
  466    HA   HIS  18           HA       HIS  18  54.803  12.246  -6.017
  467    HB2  HIS  18           HB2      HIS  18  54.154  10.819  -3.415
  468    HB3  HIS  18           HB3      HIS  18  53.758  12.500  -3.776
  469    HD2  HIS  18           HD2      HIS  18  51.659  12.990  -5.298
  470    HE1  HIS  18           HE1      HIS  18  50.297   8.975  -5.738
  471    HE2  HIS  18           HE2      HIS  18  49.698  11.428  -6.102
  472    H    ARG  19           H        ARG  19  55.435  13.699  -3.819
  473    HA   ARG  19           HA       ARG  19  58.262  14.099  -4.045
  Start of MODEL   14
    1    H    SER1503           H        SER1503  39.500   5.328  -4.592
    2    HA   SER1503           HA       SER1503  40.731   3.301  -5.029
    3    HB2  SER1503           HB2      SER1503  41.493   3.541  -7.338
    4    HB3  SER1503           HB3      SER1503  39.985   4.432  -7.090
    5    HG   SER1503           HG       SER1503  41.150   6.354  -7.030
    6    H    LEU1504           H        LEU1504  42.580   5.772  -3.852
    7    HA   LEU1504           HA       LEU1504  45.087   4.151  -3.816
    8    HB2  LEU1504           HB2      LEU1504  46.429   5.903  -4.773
    9    HB3  LEU1504           HB3      LEU1504  45.094   5.552  -5.847
   10    HG   LEU1504           HG       LEU1504  43.984   7.639  -4.486
   11   HD11  LEU1504          HD11      LEU1504  45.636   9.410  -4.178
   12   HD12  LEU1504          HD12      LEU1504  46.951   8.306  -4.620
   13   HD13  LEU1504          HD13      LEU1504  46.051   8.062  -3.117
   14   HD21  LEU1504          HD21      LEU1504  45.918   7.879  -6.817
   15   HD22  LEU1504          HD22      LEU1504  44.665   9.060  -6.371
   16   HD23  LEU1504          HD23      LEU1504  44.191   7.445  -6.919
   17    H    VAL1505           H        VAL1505  43.121   6.552  -2.204
   18    HA   VAL1505           HA       VAL1505  45.228   7.763  -0.671
   19    HB   VAL1505           HB       VAL1505  42.235   7.863  -0.169
   20   HG11  VAL1505          HG11      VAL1505  42.756  10.169   0.713
   21   HG12  VAL1505          HG12      VAL1505  44.484   9.770   0.619
   22   HG13  VAL1505          HG13      VAL1505  43.399   8.881   1.716
   23   HG21  VAL1505          HG21      VAL1505  42.304   9.969  -1.514
   24   HG22  VAL1505          HG22      VAL1505  42.691   8.566  -2.494
   25   HG23  VAL1505          HG23      VAL1505  43.993   9.634  -1.933
   26    H    THR1506           H        THR1506  43.980   4.658  -0.191
   27    HA   THR1506           HA       THR1506  45.130   4.526   2.474
   28    HB   THR1506           HB       THR1506  42.290   3.578   1.900
   29    HG1  THR1506           HG1      THR1506  42.455   5.666   2.754
   30   HG21  THR1506          HG21      THR1506  42.958   1.726   3.065
   31   HG22  THR1506          HG22      THR1506  42.612   2.772   4.437
   32   HG23  THR1506          HG23      THR1506  44.282   2.533   3.902
   33    H    CYS1507           HN       CYS1507  46.477   2.984   2.388
   34    HA   CYS1507           HA       CYS1507  46.114   0.639   0.593
   35    HB2  CYS1507           HB2      CYS1507  48.188   1.977   0.372
   36    HB3  CYS1507           HB3      CYS1507  48.605   1.579   2.060
   37    HA   PRO1508           HA       PRO1508  44.802  -1.205   4.638
   38    HB2  PRO1508           HB2      PRO1508  44.073  -3.228   2.492
   39    HB3  PRO1508           HB3      PRO1508  43.236  -2.900   4.037
   40    HG2  PRO1508           HG2      PRO1508  42.290  -1.764   1.781
   41    HG3  PRO1508           HG3      PRO1508  42.555  -0.691   3.194
   42    HD2  PRO1508           HD2      PRO1508  44.414  -1.208   0.833
   43    HD3  PRO1508           HD3      PRO1508  43.845   0.347   1.505
   44    H    ILE1509           H        ILE1509  47.017  -2.213   2.127
   45    HA   ILE1509           HA       ILE1509  47.979  -4.602   3.528
   46    HB   ILE1509           HB       ILE1509  49.580  -3.109   1.444
   47   HG12  ILE1509          HG12      ILE1509  47.570  -5.280   0.747
   48   HG13  ILE1509          HG13      ILE1509  47.173  -3.568   0.577
   49   HG21  ILE1509          HG21      ILE1509  49.332  -6.019   2.342
   50   HG22  ILE1509          HG22      ILE1509  50.695  -4.923   2.658
   51   HG23  ILE1509          HG23      ILE1509  50.371  -5.481   1.016
   52   HD11  ILE1509          HD11      ILE1509  49.054  -3.242  -0.977
   53   HD12  ILE1509          HD12      ILE1509  47.859  -4.410  -1.555
   54   HD13  ILE1509          HD13      ILE1509  49.406  -4.983  -0.907
   55    H    CYS1510           HN       CYS1510  48.940  -1.193   3.320
   56    HA   CYS1510           HA       CYS1510  51.147  -1.539   5.235
   57    HB2  CYS1510           HB2      CYS1510  50.167   0.768   3.506
   58    HB3  CYS1510           HB3      CYS1510  51.508   0.887   4.652
   59    H    HIS1511           H        HIS1511  47.866  -0.988   5.498
   60    HA   HIS1511           HA       HIS1511  46.401  -0.186   7.031
   61    HB2  HIS1511           HB2      HIS1511  48.614   0.249   9.004
   62    HB3  HIS1511           HB3      HIS1511  46.906   0.049   9.332
   63    HD2  HIS1511           HD2      HIS1511  46.592  -2.683   7.434
   64    HE1  HIS1511           HE1      HIS1511  49.042  -4.375  10.483
   65    HE2  HIS1511           HE2      HIS1511  47.450  -4.893   8.569
   66    H    ALA1512           H        ALA1512  47.270   1.470   5.102
   67    HA   ALA1512           HA       ALA1512  46.851   3.481   4.340
   68    HB1  ALA1512           HB1      ALA1512  45.086   4.663   5.266
   69    HB2  ALA1512           HB2      ALA1512  45.560   4.279   6.939
   70    HB3  ALA1512           HB3      ALA1512  44.881   3.017   5.913
   71    HA   PRO1513           HA       PRO1513  49.877   6.300   6.794
   72    HB2  PRO1513           HB2      PRO1513  52.428   5.493   6.315
   73    HB3  PRO1513           HB3      PRO1513  51.459   4.850   7.676
   74    HG2  PRO1513           HG2      PRO1513  51.856   3.600   4.932
   75    HG3  PRO1513           HG3      PRO1513  52.082   2.833   6.539
   76    HD2  PRO1513           HD2      PRO1513  49.761   2.549   5.155
   77    HD3  PRO1513           HD3      PRO1513  49.768   2.760   6.937
   78    H    TYR1514           H        TYR1514  49.987   4.795   3.638
   79    HA   TYR1514           HA       TYR1514  50.513   5.432   1.557
   80    HB2  TYR1514           HB2      TYR1514  48.424   6.660   2.065
   81    HB3  TYR1514           HB3      TYR1514  49.369   8.102   2.389
   82    HD1  TYR1514           HD1      TYR1514  48.579   5.527  -0.236
   83    HD2  TYR1514           HD2      TYR1514  50.049   9.506   0.555
   84    HE1  TYR1514           HE1      TYR1514  48.690   5.975  -2.679
   85    HE2  TYR1514           HE2      TYR1514  50.118   9.967  -1.891
   86    HH   TYR1514           HH       TYR1514  49.816   9.117  -4.006
   87    H    VAL1515           H        VAL1515  52.819   5.107   2.163
   88    HA   VAL1515           HA       VAL1515  54.540   7.503   2.011
   89    HB   VAL1515           HB       VAL1515  55.251   4.554   1.873
   90   HG11  VAL1515          HG11      VAL1515  57.573   5.352   2.318
   91   HG12  VAL1515          HG12      VAL1515  57.030   7.034   2.127
   92   HG13  VAL1515          HG13      VAL1515  56.990   5.907   0.748
   93   HG21  VAL1515          HG21      VAL1515  56.122   4.969   4.177
   94   HG22  VAL1515          HG22      VAL1515  54.373   5.208   4.086
   95   HG23  VAL1515          HG23      VAL1515  55.457   6.617   4.113
   96    H    GLU1516           H        GLU1516  54.149   8.577   0.165
   97    HA   GLU1516           HA       GLU1516  53.641   7.315  -2.382
   98    HB2  GLU1516           HB2      GLU1516  53.594   9.544  -3.275
   99    HB3  GLU1516           HB3      GLU1516  52.653   9.463  -1.798
  100    HG2  GLU1516           HG2      GLU1516  55.502  10.548  -1.823
  101    HG3  GLU1516           HG3      GLU1516  54.113  11.529  -2.248
  102    H    GLU1517           H        GLU1517  56.612   8.391  -0.848
  103    HA   GLU1517           HA       GLU1517  58.270   8.453  -3.204
  104    HB2  GLU1517           HB2      GLU1517  58.988   8.043  -0.271
  105    HB3  GLU1517           HB3      GLU1517  60.134   8.378  -1.576
  106    HG2  GLU1517           HG2      GLU1517  58.831  10.494  -2.076
  107    HG3  GLU1517           HG3      GLU1517  57.953  10.231  -0.564
  108    H    ASP1518           H        ASP1518  56.888   5.719  -1.621
  109    HA   ASP1518           HA       ASP1518  58.995   3.803  -2.206
  110    HB2  ASP1518           HB2      ASP1518  56.956   3.606  -0.555
  111    HB3  ASP1518           HB3      ASP1518  56.033   3.183  -1.978
  112    H    LEU1519           H        LEU1519  56.705   5.407  -4.151
  113    HA   LEU1519           HA       LEU1519  55.899   5.301  -6.189
  114    HB2  LEU1519           HB2      LEU1519  57.153   4.807  -7.924
  115    HB3  LEU1519           HB3      LEU1519  58.388   4.691  -6.699
  116    HG   LEU1519           HG       LEU1519  57.491   2.049  -6.808
  117   HD11  LEU1519          HD11      LEU1519  56.037   2.412  -8.745
  118   HD12  LEU1519          HD12      LEU1519  57.475   1.518  -9.258
  119   HD13  LEU1519          HD13      LEU1519  57.348   3.243  -9.611
  120   HD21  LEU1519          HD21      LEU1519  59.642   3.357  -8.514
  121   HD22  LEU1519          HD22      LEU1519  59.534   1.623  -8.100
  122   HD23  LEU1519          HD23      LEU1519  59.832   2.815  -6.831
  123    H    LEU1520           H        LEU1520  54.480   4.131  -7.628
  124    HA   LEU1520           HA       LEU1520  53.122   1.883  -6.224
  125    HB2  LEU1520           HB2      LEU1520  51.707   4.372  -7.244
  126    HB3  LEU1520           HB3      LEU1520  51.004   3.000  -6.412
  127    HG   LEU1520           HG       LEU1520  52.839   3.765  -4.526
  128   HD11  LEU1520          HD11      LEU1520  53.521   5.792  -5.876
  129   HD12  LEU1520          HD12      LEU1520  52.796   6.210  -4.322
  130   HD13  LEU1520          HD13      LEU1520  51.844   6.358  -5.809
  131   HD21  LEU1520          HD21      LEU1520  50.472   3.369  -4.109
  132   HD22  LEU1520          HD22      LEU1520  50.055   4.919  -4.893
  133   HD23  LEU1520          HD23      LEU1520  50.999   4.892  -3.379
  134    H    ILE1521           H        ILE1521  51.484   0.850  -7.354
  135    HA   ILE1521           HA       ILE1521  51.561   0.860 -10.307
  136    HB   ILE1521           HB       ILE1521  53.150  -0.834  -9.469
  137   HG12  ILE1521          HG12      ILE1521  50.716  -2.168 -10.719
  138   HG13  ILE1521          HG13      ILE1521  51.876  -1.152 -11.591
  139   HG21  ILE1521          HG21      ILE1521  50.766  -2.185  -8.141
  140   HG22  ILE1521          HG22      ILE1521  52.099  -1.370  -7.298
  141   HG23  ILE1521          HG23      ILE1521  52.414  -2.825  -8.231
  142   HD11  ILE1521          HD11      ILE1521  52.416  -3.832 -10.273
  143   HD12  ILE1521          HD12      ILE1521  53.703  -2.756 -10.837
  144   HD13  ILE1521          HD13      ILE1521  52.513  -3.410 -11.989
  145    H    GLN1522           H        GLN1522  49.551  -0.089 -11.218
  146    HA   GLN1522           HA       GLN1522  47.366  -0.487  -9.220
  147    HB2  GLN1522           HB2      GLN1522  45.745   0.448 -10.792
  148    HB3  GLN1522           HB3      GLN1522  46.867   1.644 -10.178
  149    HG2  GLN1522           HG2      GLN1522  48.044   1.757 -12.259
  150    HG3  GLN1522           HG3      GLN1522  47.290   0.284 -12.861
  151   HE21  GLN1522          HE21      GLN1522  44.878   2.327 -11.350
  152   HE22  GLN1522          HE22      GLN1522  44.337   3.025 -12.871
  153    H    CYS1523           HN       CYS1523  45.775  -1.896  -9.640
  154    HA   CYS1523           HA       CYS1523  46.291  -4.229 -11.250
  155    HB2  CYS1523           HB2      CYS1523  45.103  -4.249  -9.136
  156    HB3  CYS1523           HB3      CYS1523  43.906  -3.093  -9.732
  157    H    ARG1524           H        ARG1524  45.599  -4.711 -13.309
  158    HA   ARG1524           HA       ARG1524  44.737  -2.550 -15.033
  159    HB2  ARG1524           HB2      ARG1524  44.941  -4.066 -16.819
  160    HB3  ARG1524           HB3      ARG1524  46.205  -4.499 -15.673
  161    HG2  ARG1524           HG2      ARG1524  44.572  -6.312 -14.800
  162    HG3  ARG1524           HG3      ARG1524  43.570  -5.951 -16.210
  163    HD2  ARG1524           HD2      ARG1524  45.462  -6.460 -17.711
  164    HD3  ARG1524           HD3      ARG1524  46.496  -6.802 -16.320
  165    HE   ARG1524           HE       ARG1524  44.519  -8.553 -17.519
  166   HH11  ARG1524          HH11      ARG1524  44.259 -10.637 -16.702
  167   HH12  ARG1524          HH12      ARG1524  44.839 -11.006 -15.102
  168   HH21  ARG1524          HH21      ARG1524  46.055  -7.905 -14.407
  169   HH22  ARG1524          HH22      ARG1524  45.808  -9.560 -13.887
  170    H    HIS1525           H        HIS1525  42.879  -4.870 -13.215
  171    HA   HIS1525           HA       HIS1525  40.503  -4.625 -14.956
  172    HB2  HIS1525           HB2      HIS1525  41.114  -6.803 -14.013
  173    HB3  HIS1525           HB3      HIS1525  40.914  -6.168 -12.375
  174    HD2  HIS1525           HD2      HIS1525  38.525  -6.358 -11.355
  175    HE1  HIS1525           HE1      HIS1525  36.253  -6.999 -14.904
  176    HE2  HIS1525           HE2      HIS1525  36.140  -6.855 -12.366
  177    H    CYS1526           HN       CYS1526  41.176  -3.922 -11.474
  178    HA   CYS1526           HA       CYS1526  38.711  -2.319 -11.391
  179    HB2  CYS1526           HB2      CYS1526  38.695  -2.776  -9.097
  180    HB3  CYS1526           HB3      CYS1526  39.142  -4.294  -9.881
  181    H    GLU1527           H        GLU1527  41.885  -1.585 -11.951
  182    HA   GLU1527           HA       GLU1527  43.150   0.261 -12.010
  183    HB2  GLU1527           HB2      GLU1527  40.569   1.778 -11.509
  184    HB3  GLU1527           HB3      GLU1527  42.106   2.492 -11.989
  185    HG2  GLU1527           HG2      GLU1527  42.124   1.112 -14.053
  186    HG3  GLU1527           HG3      GLU1527  40.556   0.435 -13.613
  187    H    ARG1528           H        ARG1528  41.940  -0.667  -9.058
  188    HA   ARG1528           HA       ARG1528  42.744   1.486  -7.356
  189    HB2  ARG1528           HB2      ARG1528  42.387  -1.493  -6.914
  190    HB3  ARG1528           HB3      ARG1528  42.879  -0.412  -5.610
  191    HG2  ARG1528           HG2      ARG1528  40.872   0.770  -5.581
  192    HG3  ARG1528           HG3      ARG1528  40.464   0.376  -7.248
  193    HD2  ARG1528           HD2      ARG1528  38.978  -0.714  -5.668
  194    HD3  ARG1528           HD3      ARG1528  39.820  -1.859  -6.682
  195    HE   ARG1528           HE       ARG1528  40.360  -1.323  -3.779
  196   HH11  ARG1528          HH11      ARG1528  40.816  -3.506  -6.503
  197   HH12  ARG1528          HH12      ARG1528  41.368  -4.793  -5.473
  198   HH21  ARG1528          HH21      ARG1528  40.976  -3.096  -2.532
  199   HH22  ARG1528          HH22      ARG1528  41.209  -4.637  -3.317
  200    H    TRP1529           H        TRP1529  44.518   2.047  -6.377
  201    HA   TRP1529           HA       TRP1529  47.081   1.077  -7.455
  202    HB2  TRP1529           HB2      TRP1529  46.289   3.547  -5.883
  203    HB3  TRP1529           HB3      TRP1529  47.926   3.198  -6.403
  204    HD1  TRP1529           HD1      TRP1529  44.515   4.205  -7.841
  205    HE1  TRP1529           HE1      TRP1529  44.779   4.971 -10.268
  206    HE3  TRP1529           HE3      TRP1529  49.469   3.099  -8.486
  207    HZ2  TRP1529           HZ2      TRP1529  46.892   5.146 -12.226
  208    HZ3  TRP1529           HZ3      TRP1529  50.564   3.497 -10.674
  209    HH2  TRP1529           HH2      TRP1529  49.304   4.552 -12.539
  210    H    MET1530           H        MET1530  48.807   0.496  -6.257
  211    HA   MET1530           HA       MET1530  48.807   0.509  -3.317
  212    HB2  MET1530           HB2      MET1530  49.486  -1.877  -3.258
  213    HB3  MET1530           HB3      MET1530  47.807  -1.637  -3.697
  214    HG2  MET1530           HG2      MET1530  50.050  -2.180  -5.684
  215    HG3  MET1530           HG3      MET1530  49.060  -3.421  -4.951
  216    HE1  MET1530           HE1      MET1530  45.510  -2.727  -6.563
  217    HE2  MET1530           HE2      MET1530  46.066  -1.843  -5.135
  218    HE3  MET1530           HE3      MET1530  46.405  -3.586  -5.280
  219    H    HIS1531           H        HIS1531  50.981   0.147  -2.439
  220    HA   HIS1531           HA       HIS1531  52.983   1.429  -4.094
  221    HB2  HIS1531           HB2      HIS1531  53.559   0.077  -1.461
  222    HB3  HIS1531           HB3      HIS1531  54.380   1.420  -2.232
  223    HD2  HIS1531           HD2      HIS1531  53.144   3.857  -2.180
  224    HE1  HIS1531           HE1      HIS1531  50.346   2.845   0.866
  225    HE2  HIS1531           HE2      HIS1531  51.333   4.762  -0.537
  226    H    ALA1532           H        ALA1532  55.077   0.575  -4.626
  227    HA   ALA1532           HA       ALA1532  54.942  -2.001  -5.878
  228    HB1  ALA1532           HB1      ALA1532  57.195  -1.464  -6.567
  229    HB2  ALA1532           HB2      ALA1532  57.376  -0.259  -5.276
  230    HB3  ALA1532           HB3      ALA1532  56.243   0.012  -6.619
  231    H    GLY1533           H        GLY1533  56.524  -0.920  -2.811
  232    HA2  GLY1533           HA2      GLY1533  57.902  -3.321  -2.235
  233    HA3  GLY1533           HA3      GLY1533  57.431  -2.075  -1.077
  234    H    CYS1534           HN       CYS1534  54.557  -2.323  -1.233
  235    HA   CYS1534           HA       CYS1534  54.147  -4.760   0.272
  236    HB2  CYS1534           HB2      CYS1534  51.877  -3.922   0.584
  237    HB3  CYS1534           HB3      CYS1534  53.102  -2.780   1.066
  238    H    GLU1535           H        GLU1535  54.546  -4.554  -2.881
  239    HA   GLU1535           HA       GLU1535  52.939  -7.004  -3.382
  240    HB2  GLU1535           HB2      GLU1535  53.500  -4.707  -5.297
  241    HB3  GLU1535           HB3      GLU1535  52.916  -6.275  -5.827
  242    HG2  GLU1535           HG2      GLU1535  51.461  -4.414  -3.910
  243    HG3  GLU1535           HG3      GLU1535  51.113  -4.621  -5.613
  244    H    SER1536           H        SER1536  55.859  -6.232  -2.524
  245    HA   SER1536           HA       SER1536  57.963  -6.970  -2.801
  246    HB2  SER1536           HB2      SER1536  56.707  -9.405  -4.098
  247    HB3  SER1536           HB3      SER1536  58.341  -9.291  -3.413
  248    HG   SER1536           HG       SER1536  56.798 -10.212  -1.938
  249    H    LEU1537           H        LEU1537  56.866  -5.306  -4.970
  250    HA   LEU1537           HA       LEU1537  58.684  -5.969  -7.239
  251    HB2  LEU1537           HB2      LEU1537  56.669  -3.720  -6.948
  252    HB3  LEU1537           HB3      LEU1537  57.570  -4.159  -8.402
  253    HG   LEU1537           HG       LEU1537  55.470  -5.905  -7.021
  254   HD11  LEU1537          HD11      LEU1537  54.552  -3.859  -8.018
  255   HD12  LEU1537          HD12      LEU1537  54.022  -5.323  -8.861
  256   HD13  LEU1537          HD13      LEU1537  55.298  -4.304  -9.573
  257   HD21  LEU1537          HD21      LEU1537  57.089  -7.272  -8.297
  258   HD22  LEU1537          HD22      LEU1537  56.856  -6.227  -9.723
  259   HD23  LEU1537          HD23      LEU1537  55.522  -7.221  -9.109
  260    H    PHE1538           H        PHE1538  60.579  -5.728  -6.075
  261    HA   PHE1538           HA       PHE1538  61.060  -3.540  -4.297
  262    HB2  PHE1538           HB2      PHE1538  63.063  -5.506  -5.444
  263    HB3  PHE1538           HB3      PHE1538  63.255  -4.523  -3.990
  264    HD1  PHE1538           HD1      PHE1538  62.236  -7.737  -5.133
  265    HD2  PHE1538           HD2      PHE1538  61.479  -4.732  -2.127
  266    HE1  PHE1538           HE1      PHE1538  61.248  -9.458  -3.650
  267    HE2  PHE1538           HE2      PHE1538  60.499  -6.445  -0.655
  268    HZ   PHE1538           HZ       PHE1538  60.370  -8.827  -1.403
  269    H    THR1539           H        THR1539  61.164  -3.348  -7.629
  270    HA   THR1539           HA       THR1539  62.724  -0.828  -7.522
  271    HB   THR1539           HB       THR1539  63.928  -1.326  -9.575
  272    HG1  THR1539           HG1      THR1539  63.075  -3.995  -9.348
  273   HG21  THR1539          HG21      THR1539  65.561  -2.953  -8.860
  274   HG22  THR1539          HG22      THR1539  64.465  -3.595  -7.619
  275   HG23  THR1539          HG23      THR1539  65.098  -1.935  -7.485
  276    H    GLU1540           H        GLU1540  62.365   0.580  -9.392
  277    HA   GLU1540           HA       GLU1540  59.664   0.618 -10.380
  278    HB2  GLU1540           HB2      GLU1540  61.233   2.565 -10.103
  279    HB3  GLU1540           HB3      GLU1540  62.103   2.017 -11.539
  280    HG2  GLU1540           HG2      GLU1540  60.155   2.388 -12.936
  281    HG3  GLU1540           HG3      GLU1540  59.108   2.585 -11.527
  282    H    ASP1541           H        ASP1541  62.618  -0.908 -11.616
  283    HA   ASP1541           HA       ASP1541  61.604  -1.546 -14.248
  284    HB2  ASP1541           HB2      ASP1541  63.742  -2.912 -12.577
  285    HB3  ASP1541           HB3      ASP1541  63.409  -3.236 -14.272
  286    H    ASP1542           H        ASP1542  61.506  -3.353 -11.100
  287    HA   ASP1542           HA       ASP1542  60.131  -5.639 -12.121
  288    HB2  ASP1542           HB2      ASP1542  60.134  -4.347  -9.369
  289    HB3  ASP1542           HB3      ASP1542  59.402  -5.887  -9.749
  290    H    VAL1543           H        VAL1543  58.921  -2.502 -10.877
  291    HA   VAL1543           HA       VAL1543  56.115  -3.105 -11.204
  292    HB   VAL1543           HB       VAL1543  57.693  -0.538 -10.983
  293   HG11  VAL1543          HG11      VAL1543  54.686  -0.760 -11.377
  294   HG12  VAL1543          HG12      VAL1543  55.855   0.131 -12.376
  295   HG13  VAL1543          HG13      VAL1543  55.514   0.672 -10.736
  296   HG21  VAL1543          HG21      VAL1543  55.642  -1.937  -9.217
  297   HG22  VAL1543          HG22      VAL1543  56.416  -0.398  -8.857
  298   HG23  VAL1543          HG23      VAL1543  57.408  -1.856  -8.948
  299    H    GLU1544           H        GLU1544  58.438  -1.509 -13.473
  300    HA   GLU1544           HA       GLU1544  56.549  -1.144 -15.573
  301    HB2  GLU1544           HB2      GLU1544  58.743  -0.051 -15.513
  302    HB3  GLU1544           HB3      GLU1544  59.554  -1.608 -15.631
  303    HG2  GLU1544           HG2      GLU1544  59.605  -0.448 -17.766
  304    HG3  GLU1544           HG3      GLU1544  58.733  -1.967 -17.881
  305    H    GLN1545           H        GLN1545  58.694  -3.931 -14.861
  306    HA   GLN1545           HA       GLN1545  57.821  -5.660 -16.946
  307    HB2  GLN1545           HB2      GLN1545  59.779  -6.122 -15.718
  308    HB3  GLN1545           HB3      GLN1545  58.984  -6.097 -14.170
  309    HG2  GLN1545           HG2      GLN1545  58.278  -8.171 -16.285
  310    HG3  GLN1545           HG3      GLN1545  59.691  -8.346 -15.252
  311   HE21  GLN1545          HE21      GLN1545  57.908  -7.040 -12.873
  312   HE22  GLN1545          HE22      GLN1545  57.038  -8.487 -12.397
  313    H    ALA1546           H        ALA1546  56.461  -5.230 -13.621
  314    HA   ALA1546           HA       ALA1546  54.447  -7.230 -13.912
  315    HB1  ALA1546           HB1      ALA1546  54.631  -4.777 -12.112
  316    HB2  ALA1546           HB2      ALA1546  55.209  -6.413 -11.742
  317    HB3  ALA1546           HB3      ALA1546  53.469  -6.103 -11.909
  318    H    ALA1547           H        ALA1547  54.390  -3.734 -14.645
  319    HA   ALA1547           HA       ALA1547  51.614  -3.551 -15.361
  320    HB1  ALA1547           HB1      ALA1547  52.351  -1.438 -16.411
  321    HB2  ALA1547           HB2      ALA1547  54.047  -1.936 -16.228
  322    HB3  ALA1547           HB3      ALA1547  53.056  -1.621 -14.785
  323    H    ASP1548           H        ASP1548  54.595  -4.103 -17.344
  324    HA   ASP1548           HA       ASP1548  53.242  -4.273 -19.867
  325    HB2  ASP1548           HB2      ASP1548  55.667  -3.830 -19.516
  326    HB3  ASP1548           HB3      ASP1548  55.886  -5.492 -18.973
  327    H    GLU1549           H        GLU1549  53.908  -6.676 -17.372
  328    HA   GLU1549           HA       GLU1549  52.921  -8.979 -18.920
  329    HB2  GLU1549           HB2      GLU1549  53.644  -8.536 -16.003
  330    HB3  GLU1549           HB3      GLU1549  52.959 -10.048 -16.558
  331    HG2  GLU1549           HG2      GLU1549  55.524  -8.813 -17.658
  332    HG3  GLU1549           HG3      GLU1549  55.445 -10.048 -16.413
  333    H    GLY1550           H        GLY1550  51.362  -6.421 -17.336
  334    HA2  GLY1550           HA2      GLY1550  49.082  -5.967 -17.134
  335    HA3  GLY1550           HA3      GLY1550  48.693  -7.619 -17.609
  336    H    PHE1551           H        PHE1551  49.473  -5.483 -14.943
  337    HA   PHE1551           HA       PHE1551  49.705  -7.505 -12.924
  338    HB2  PHE1551           HB2      PHE1551  50.761  -5.217 -12.927
  339    HB3  PHE1551           HB3      PHE1551  49.174  -4.533 -12.592
  340    HD1  PHE1551           HD1      PHE1551  48.618  -4.162 -10.305
  341    HD2  PHE1551           HD2      PHE1551  51.516  -7.200 -11.314
  342    HE1  PHE1551           HE1      PHE1551  49.026  -4.581  -7.898
  343    HE2  PHE1551           HE2      PHE1551  51.929  -7.604  -8.901
  344    HZ   PHE1551           HZ       PHE1551  50.667  -6.305  -7.196
  345    H    ASP1552           H        ASP1552  48.365  -7.728 -10.974
  346    HA   ASP1552           HA       ASP1552  45.669  -6.706 -11.014
  347    HB2  ASP1552           HB2      ASP1552  44.764  -9.056 -10.324
  348    HB3  ASP1552           HB3      ASP1552  44.815  -8.539 -11.985
  349    H    CYS1553           HN       CYS1553  44.783  -6.366  -9.031
  350    HA   CYS1553           HA       CYS1553  46.487  -6.572  -6.732
  351    HB2  CYS1553           HB2      CYS1553  44.789  -5.442  -5.563
  352    HB3  CYS1553           HB3      CYS1553  44.762  -4.777  -7.166
  353    H    VAL1554           H        VAL1554  45.360  -7.308  -4.656
  354    HA   VAL1554           HA       VAL1554  45.246 -10.166  -4.708
  355    HB   VAL1554           HB       VAL1554  44.358  -8.546  -2.315
  356   HG11  VAL1554          HG11      VAL1554  45.487 -10.469  -1.204
  357   HG12  VAL1554          HG12      VAL1554  45.916 -11.110  -2.819
  358   HG13  VAL1554          HG13      VAL1554  44.210 -11.003  -2.323
  359   HG21  VAL1554          HG21      VAL1554  47.248  -9.000  -3.211
  360   HG22  VAL1554          HG22      VAL1554  46.752  -8.495  -1.584
  361   HG23  VAL1554          HG23      VAL1554  46.459  -7.428  -2.952
  362    H    SER1555           H        SER1555  42.732  -7.636  -4.427
  363    HA   SER1555           HA       SER1555  40.527  -9.317  -3.751
  364    HB2  SER1555           HB2      SER1555  40.328  -6.782  -5.399
  365    HB3  SER1555           HB3      SER1555  39.171  -7.422  -4.222
  366    HG   SER1555           HG       SER1555  40.667  -6.911  -2.561
  367    H    CYS1556           HN       CYS1556  42.101  -8.730  -6.839
  368    HA   CYS1556           HA       CYS1556  39.811  -9.547  -8.419
  369    HB2  CYS1556           HB2      CYS1556  42.556  -8.440  -8.912
  370    HB3  CYS1556           HB3      CYS1556  41.715  -9.254 -10.232
  371    H    GLN1557           H        GLN1557  42.380 -11.234  -6.829
  372    HA   GLN1557           HA       GLN1557  42.457 -13.482  -8.624
  373    HB2  GLN1557           HB2      GLN1557  43.169 -13.794  -5.722
  374    HB3  GLN1557           HB3      GLN1557  43.756 -14.615  -7.135
  375    HG2  GLN1557           HG2      GLN1557  44.319 -11.718  -6.452
  376    HG3  GLN1557           HG3      GLN1557  45.393 -13.060  -6.115
  377   HE21  GLN1557          HE21      GLN1557  45.586 -10.555  -7.838
  378   HE22  GLN1557          HE22      GLN1557  46.299 -11.197  -9.303
  379    HA   PRO1558           HA       PRO1558  38.857 -15.289  -6.029
  380    HB2  PRO1558           HB2      PRO1558  37.813 -12.874  -4.560
  381    HB3  PRO1558           HB3      PRO1558  37.824 -14.591  -4.056
  382    HG2  PRO1558           HG2      PRO1558  39.613 -12.856  -3.013
  383    HG3  PRO1558           HG3      PRO1558  40.156 -14.493  -3.526
  384    HD2  PRO1558           HD2      PRO1558  40.333 -11.893  -5.063
  385    HD3  PRO1558           HD3      PRO1558  41.602 -13.078  -4.732
  386    H    TYR1559           H        TYR1559  38.448 -11.809  -6.996
  387    HA   TYR1559           HA       TYR1559  35.769 -12.293  -7.980
  388    HB2  TYR1559           HB2      TYR1559  37.565  -9.892  -8.375
  389    HB3  TYR1559           HB3      TYR1559  35.856  -9.974  -8.764
  390    HD1  TYR1559           HD1      TYR1559  35.494 -11.695  -5.879
  391    HD2  TYR1559           HD2      TYR1559  36.917  -7.826  -7.182
  392    HE1  TYR1559           HE1      TYR1559  34.970 -10.751  -3.657
  393    HE2  TYR1559           HE2      TYR1559  36.357  -6.877  -4.955
  394    HH   TYR1559           HH       TYR1559  35.517  -7.296  -2.841
  395    H    VAL1560           H        VAL1560  38.296 -10.857 -10.068
  396    HA   VAL1560           HA       VAL1560  36.836 -11.867 -12.358
  397    HB   VAL1560           HB       VAL1560  37.752  -9.607 -12.255
  398   HG11  VAL1560          HG11      VAL1560  40.492 -10.863 -12.705
  399   HG12  VAL1560          HG12      VAL1560  39.929 -10.138 -11.187
  400   HG13  VAL1560          HG13      VAL1560  40.096  -9.136 -12.630
  401   HG21  VAL1560          HG21      VAL1560  38.523  -9.471 -14.562
  402   HG22  VAL1560          HG22      VAL1560  37.207 -10.648 -14.440
  403   HG23  VAL1560          HG23      VAL1560  38.890 -11.205 -14.592
  404    H    VAL1561           H        VAL1561  40.029 -12.746 -11.012
  405    HA   VAL1561           HA       VAL1561  40.652 -14.610 -13.186
  406    HB   VAL1561           HB       VAL1561  41.832 -14.421 -10.400
  407   HG11  VAL1561          HG11      VAL1561  42.926 -15.712 -12.928
  408   HG12  VAL1561          HG12      VAL1561  42.435 -16.548 -11.438
  409   HG13  VAL1561          HG13      VAL1561  43.833 -15.482 -11.419
  410   HG21  VAL1561          HG21      VAL1561  42.750 -13.115 -12.995
  411   HG22  VAL1561          HG22      VAL1561  43.684 -13.146 -11.487
  412   HG23  VAL1561          HG23      VAL1561  42.160 -12.274 -11.547
  413    H    LYS1562           H        LYS1562  38.913 -14.693 -10.204
  414    HA   LYS1562           HA       LYS1562  37.699 -16.149  -9.066
  415    HB2  LYS1562           HB2      LYS1562  36.432 -15.870 -11.200
  416    HB3  LYS1562           HB3      LYS1562  37.134 -17.383 -11.792
  417    HG2  LYS1562           HG2      LYS1562  36.071 -18.608  -9.895
  418    HG3  LYS1562           HG3      LYS1562  35.415 -17.081  -9.280
  419    HD2  LYS1562           HD2      LYS1562  34.110 -16.800 -11.378
  420    HD3  LYS1562           HD3      LYS1562  34.776 -18.327 -11.998
  421    HE2  LYS1562           HE2      LYS1562  33.783 -19.539 -10.053
  422    HE3  LYS1562           HE3      LYS1562  33.129 -18.017  -9.439
  423    HZ1  LYS1562           HZ1      LYS1562  31.449 -19.255 -10.700
  424    HZ2  LYS1562           HZ2      LYS1562  32.375 -19.271 -12.039
  425    HZ3  LYS1562           HZ3      LYS1562  31.777 -17.857 -11.474
  426    HA   LYS  12           HA       LYS  12  51.886   6.402 -16.871
  427    H    GLY  13           H        GLY  13  48.439   5.695 -17.997
  428    HA2  GLY  13           HA2      GLY  13  49.526   3.673 -18.230
  429    HA3  GLY  13           HA3      GLY  13  51.005   4.365 -17.598
  430    H    GLY  14           H        GLY  14  50.654   1.927 -16.821
  431    HA2  GLY  14           HA2      GLY  14  48.936   1.482 -14.541
  432    HA3  GLY  14           HA3      GLY  14  50.148   0.387 -15.191
  433    H    ALA  15           H        ALA  15  51.855   3.156 -14.569
  434    HA   ALA  15           HA       ALA  15  52.558   2.389 -11.772
  435    HB1  ALA  15           HB1      ALA  15  54.919   2.547 -12.403
  436    HB2  ALA  15           HB2      ALA  15  54.466   2.912 -14.082
  437    HB3  ALA  15           HB3      ALA  15  54.082   1.323 -13.392
  438   HH31  ALY  16           H26      ALY  16  45.029   8.073 -10.803
  439   HH32  ALY  16           H27      ALY  16  44.722   9.102  -9.384
  440   HH33  ALY  16           H28      ALY  16  45.217   7.410  -9.165
  441    HZ   ALY  16           HZ1      ALY  16  47.310   6.815 -10.128
  442    HE3  ALY  16           HE3      ALY  16  49.391   7.268 -11.053
  443    HE2  ALY  16           HE2      ALY  16  49.286   8.965 -10.605
  444    HD3  ALY  16           HD3      ALY  16  49.740   8.496  -8.282
  445    HD2  ALY  16           HD2      ALY  16  49.596   6.750  -8.514
  446    HG3  ALY  16           HG3      ALY  16  51.701   8.423  -9.963
  447    HG2  ALY  16           HG2      ALY  16  51.982   7.702  -8.365
  448    HB3  ALY  16           HB3      ALY  16  51.627   5.468  -9.204
  449    HB2  ALY  16           HB2      ALY  16  51.078   6.067 -10.760
  450    HA   ALY  16           HA       ALY  16  53.289   6.854 -11.351
  451    H    ALY  16           H        ALY  16  53.532   4.010 -10.486
  452    H    ARG  17           H        ARG  17  54.454   8.325 -10.076
  453    HA   ARG  17           HA       ARG  17  55.843   7.404  -7.620
  454    HB2  ARG  17           HB2      ARG  17  57.231   6.789  -9.679
  455    HB3  ARG  17           HB3      ARG  17  57.365   8.512 -10.024
  456    HG2  ARG  17           HG2      ARG  17  58.497   8.803  -7.772
  457    HG3  ARG  17           HG3      ARG  17  58.373   7.056  -7.532
  458    HD2  ARG  17           HD2      ARG  17  60.588   7.532  -8.305
  459    HD3  ARG  17           HD3      ARG  17  59.740   6.741  -9.626
  460    HE   ARG  17           HE       ARG  17  60.281   9.694  -9.384
  461   HH11  ARG  17          HH11      ARG  17  59.787   6.945 -11.583
  462   HH12  ARG  17          HH12      ARG  17  60.048   7.955 -12.972
  463   HH21  ARG  17          HH21      ARG  17  60.615  10.854 -11.224
  464   HH22  ARG  17          HH22      ARG  17  60.509  10.091 -12.780
  465    H    HIS  18           H        HIS  18  56.489   9.060  -6.249
  466    HA   HIS  18           HA       HIS  18  55.209  11.645  -6.469
  467    HB2  HIS  18           HB2      HIS  18  55.661  10.513  -4.330
  468    HB3  HIS  18           HB3      HIS  18  57.400  10.662  -4.604
  469    HD2  HIS  18           HD2      HIS  18  58.367  12.585  -3.167
  470    HE1  HIS  18           HE1      HIS  18  55.119  15.350  -3.311
  471    HE2  HIS  18           HE2      HIS  18  57.470  14.945  -2.418
  472    H    ARG  19           H        ARG  19  56.197  13.725  -6.567
  473    HA   ARG  19           HA       ARG  19  57.993  14.149  -8.742
  Start of MODEL   15
    1    H    SER1503           H        SER1503  40.822   3.671  -2.929
    2    HA   SER1503           HA       SER1503  43.097   3.046  -2.282
    3    HB2  SER1503           HB2      SER1503  43.859   1.897  -4.253
    4    HB3  SER1503           HB3      SER1503  42.099   1.791  -4.161
    5    HG   SER1503           HG       SER1503  41.979   3.477  -5.717
    6    H    LEU1504           H        LEU1504  42.845   5.928  -4.060
    7    HA   LEU1504           HA       LEU1504  45.748   6.528  -4.127
    8    HB2  LEU1504           HB2      LEU1504  43.245   8.030  -4.973
    9    HB3  LEU1504           HB3      LEU1504  44.835   8.776  -5.006
   10    HG   LEU1504           HG       LEU1504  44.191   6.226  -6.548
   11   HD11  LEU1504          HD11      LEU1504  44.034   7.681  -8.522
   12   HD12  LEU1504          HD12      LEU1504  44.247   9.121  -7.499
   13   HD13  LEU1504          HD13      LEU1504  42.796   8.110  -7.332
   14   HD21  LEU1504          HD21      LEU1504  46.241   6.931  -7.836
   15   HD22  LEU1504          HD22      LEU1504  46.592   6.521  -6.156
   16   HD23  LEU1504          HD23      LEU1504  46.499   8.226  -6.645
   17    H    VAL1505           H        VAL1505  43.540   6.484  -1.693
   18    HA   VAL1505           HA       VAL1505  44.918   8.673  -0.175
   19    HB   VAL1505           HB       VAL1505  41.948   8.082   0.013
   20   HG11  VAL1505          HG11      VAL1505  42.770   9.217   2.012
   21   HG12  VAL1505          HG12      VAL1505  41.872  10.368   1.043
   22   HG13  VAL1505          HG13      VAL1505  43.650  10.399   1.017
   23   HG21  VAL1505          HG21      VAL1505  43.320  10.292  -1.576
   24   HG22  VAL1505          HG22      VAL1505  41.581  10.217  -1.220
   25   HG23  VAL1505          HG23      VAL1505  42.312   8.984  -2.237
   26    H    THR1506           H        THR1506  44.208   5.310  -0.174
   27    HA   THR1506           HA       THR1506  45.048   4.947   2.545
   28    HB   THR1506           HB       THR1506  42.218   4.210   1.675
   29    HG1  THR1506           HG1      THR1506  42.557   6.164   2.876
   30   HG21  THR1506          HG21      THR1506  43.939   2.745   3.661
   31   HG22  THR1506          HG22      THR1506  42.692   2.166   2.559
   32   HG23  THR1506          HG23      THR1506  42.225   3.011   4.029
   33    H    CYS1507           HN       CYS1507  46.279   3.250   2.492
   34    HA   CYS1507           HA       CYS1507  45.968   1.145   0.406
   35    HB2  CYS1507           HB2      CYS1507  48.154   2.294   0.541
   36    HB3  CYS1507           HB3      CYS1507  48.329   1.743   2.225
   37    HA   PRO1508           HA       PRO1508  44.044  -0.960   4.045
   38    HB2  PRO1508           HB2      PRO1508  43.506  -2.753   1.647
   39    HB3  PRO1508           HB3      PRO1508  42.488  -2.509   3.098
   40    HG2  PRO1508           HG2      PRO1508  41.906  -1.131   0.865
   41    HG3  PRO1508           HG3      PRO1508  42.047  -0.195   2.385
   42    HD2  PRO1508           HD2      PRO1508  44.170  -0.644   0.240
   43    HD3  PRO1508           HD3      PRO1508  43.621   0.889   0.960
   44    H    ILE1509           H        ILE1509  46.545  -1.945   1.793
   45    HA   ILE1509           HA       ILE1509  47.126  -4.489   3.143
   46    HB   ILE1509           HB       ILE1509  49.077  -2.994   1.374
   47   HG12  ILE1509          HG12      ILE1509  47.124  -5.084   0.358
   48   HG13  ILE1509          HG13      ILE1509  46.792  -3.355   0.195
   49   HG21  ILE1509          HG21      ILE1509  48.618  -5.910   2.143
   50   HG22  ILE1509          HG22      ILE1509  49.967  -4.881   2.670
   51   HG23  ILE1509          HG23      ILE1509  49.847  -5.380   0.989
   52   HD11  ILE1509          HD11      ILE1509  49.157  -4.804  -1.034
   53   HD12  ILE1509          HD12      ILE1509  48.871  -3.053  -1.080
   54   HD13  ILE1509          HD13      ILE1509  47.732  -4.161  -1.865
   55    H    CYS1510           HN       CYS1510  48.459  -1.186   3.194
   56    HA   CYS1510           HA       CYS1510  50.335  -1.767   5.357
   57    HB2  CYS1510           HB2      CYS1510  49.615   0.733   3.765
   58    HB3  CYS1510           HB3      CYS1510  50.814   0.688   5.058
   59    H    HIS1511           H        HIS1511  47.053  -1.104   5.295
   60    HA   HIS1511           HA       HIS1511  45.447  -0.379   6.707
   61    HB2  HIS1511           HB2      HIS1511  47.409  -0.322   8.972
   62    HB3  HIS1511           HB3      HIS1511  45.660  -0.418   9.060
   63    HD2  HIS1511           HD2      HIS1511  48.716  -2.609   8.828
   64    HE1  HIS1511           HE1      HIS1511  45.421  -5.246   8.196
   65    HE2  HIS1511           HE2      HIS1511  47.922  -5.121   8.639
   66    H    ALA1512           H        ALA1512  46.634   1.386   5.100
   67    HA   ALA1512           HA       ALA1512  46.387   3.439   4.460
   68    HB1  ALA1512           HB1      ALA1512  44.255   3.049   5.771
   69    HB2  ALA1512           HB2      ALA1512  44.657   4.713   5.286
   70    HB3  ALA1512           HB3      ALA1512  44.914   4.184   6.962
   71    HA   PRO1513           HA       PRO1513  49.444   6.077   6.892
   72    HB2  PRO1513           HB2      PRO1513  51.884   4.925   7.065
   73    HB3  PRO1513           HB3      PRO1513  50.622   4.628   8.296
   74    HG2  PRO1513           HG2      PRO1513  51.339   2.869   5.928
   75    HG3  PRO1513           HG3      PRO1513  51.139   2.397   7.643
   76    HD2  PRO1513           HD2      PRO1513  49.132   2.170   5.781
   77    HD3  PRO1513           HD3      PRO1513  48.827   2.514   7.518
   78    H    TYR1514           H        TYR1514  48.661   6.730   4.711
   79    HA   TYR1514           HA       TYR1514  49.995   5.810   2.325
   80    HB2  TYR1514           HB2      TYR1514  47.590   6.458   2.537
   81    HB3  TYR1514           HB3      TYR1514  48.082   8.140   2.626
   82    HD1  TYR1514           HD1      TYR1514  48.649   9.352   0.595
   83    HD2  TYR1514           HD2      TYR1514  48.060   5.078   0.480
   84    HE1  TYR1514           HE1      TYR1514  48.669   9.415  -1.887
   85    HE2  TYR1514           HE2      TYR1514  48.114   5.142  -2.012
   86    HH   TYR1514           HH       TYR1514  48.371   8.209  -3.830
   87    H    VAL1515           H        VAL1515  52.172   6.300   3.143
   88    HA   VAL1515           HA       VAL1515  53.304   8.940   3.108
   89    HB   VAL1515           HB       VAL1515  54.514   6.186   2.664
   90   HG11  VAL1515          HG11      VAL1515  55.944   8.852   3.046
   91   HG12  VAL1515          HG12      VAL1515  56.022   7.784   1.617
   92   HG13  VAL1515          HG13      VAL1515  56.710   7.251   3.147
   93   HG21  VAL1515          HG21      VAL1515  54.552   8.077   5.062
   94   HG22  VAL1515          HG22      VAL1515  55.368   6.499   4.962
   95   HG23  VAL1515          HG23      VAL1515  53.606   6.581   4.938
   96    H    GLU1516           H        GLU1516  53.733  10.283   1.462
   97    HA   GLU1516           HA       GLU1516  52.717   9.658  -1.124
   98    HB2  GLU1516           HB2      GLU1516  52.587  11.865  -0.086
   99    HB3  GLU1516           HB3      GLU1516  54.350  12.037  -0.177
  100    HG2  GLU1516           HG2      GLU1516  54.278  12.086  -2.602
  101    HG3  GLU1516           HG3      GLU1516  52.573  11.621  -2.609
  102    H    GLU1517           H        GLU1517  56.155   9.957  -0.050
  103    HA   GLU1517           HA       GLU1517  57.103   9.824  -2.779
  104    HB2  GLU1517           HB2      GLU1517  59.292   9.983  -1.923
  105    HB3  GLU1517           HB3      GLU1517  58.256  11.093  -1.027
  106    HG2  GLU1517           HG2      GLU1517  58.151   9.464   0.850
  107    HG3  GLU1517           HG3      GLU1517  59.219   8.370  -0.036
  108    H    ASP1518           H        ASP1518  55.901   7.302  -0.987
  109    HA   ASP1518           HA       ASP1518  57.691   5.202  -2.057
  110    HB2  ASP1518           HB2      ASP1518  55.063   5.054  -0.552
  111    HB3  ASP1518           HB3      ASP1518  55.925   3.654  -1.183
  112    H    LEU1519           H        LEU1519  57.529   4.428  -4.075
  113    HA   LEU1519           HA       LEU1519  55.544   5.453  -5.865
  114    HB2  LEU1519           HB2      LEU1519  56.706   4.367  -7.590
  115    HB3  LEU1519           HB3      LEU1519  57.887   5.001  -6.458
  116    HG   LEU1519           HG       LEU1519  57.592   2.390  -5.536
  117   HD11  LEU1519          HD11      LEU1519  57.492   2.346  -8.588
  118   HD12  LEU1519          HD12      LEU1519  56.150   1.853  -7.532
  119   HD13  LEU1519          HD13      LEU1519  57.676   0.946  -7.505
  120   HD21  LEU1519          HD21      LEU1519  59.734   3.546  -5.932
  121   HD22  LEU1519          HD22      LEU1519  59.512   3.378  -7.690
  122   HD23  LEU1519          HD23      LEU1519  59.727   1.941  -6.675
  123    H    LEU1520           H        LEU1520  54.039   4.387  -7.185
  124    HA   LEU1520           HA       LEU1520  52.744   2.024  -5.908
  125    HB2  LEU1520           HB2      LEU1520  51.246   4.461  -6.911
  126    HB3  LEU1520           HB3      LEU1520  50.601   3.064  -6.098
  127    HG   LEU1520           HG       LEU1520  52.416   3.963  -4.202
  128   HD11  LEU1520          HD11      LEU1520  52.077   6.394  -4.015
  129   HD12  LEU1520          HD12      LEU1520  51.121   6.407  -5.510
  130   HD13  LEU1520          HD13      LEU1520  52.856   6.032  -5.558
  131   HD21  LEU1520          HD21      LEU1520  50.095   3.299  -3.770
  132   HD22  LEU1520          HD22      LEU1520  49.510   4.800  -4.522
  133   HD23  LEU1520          HD23      LEU1520  50.463   4.857  -3.026
  134    H    ILE1521           H        ILE1521  51.160   0.944  -7.118
  135    HA   ILE1521           HA       ILE1521  51.219   1.141 -10.063
  136    HB   ILE1521           HB       ILE1521  52.981  -0.447  -9.481
  137   HG12  ILE1521          HG12      ILE1521  50.616  -2.042 -10.537
  138   HG13  ILE1521          HG13      ILE1521  51.426  -0.788 -11.474
  139   HG21  ILE1521          HG21      ILE1521  52.208  -1.199  -7.259
  140   HG22  ILE1521          HG22      ILE1521  52.474  -2.586  -8.306
  141   HG23  ILE1521          HG23      ILE1521  50.825  -2.025  -8.003
  142   HD11  ILE1521          HD11      ILE1521  53.564  -2.021 -11.309
  143   HD12  ILE1521          HD12      ILE1521  52.289  -2.947 -12.110
  144   HD13  ILE1521          HD13      ILE1521  52.737  -3.326 -10.438
  145    H    GLN1522           H        GLN1522  49.334   0.295 -11.058
  146    HA   GLN1522           HA       GLN1522  47.101  -0.415  -9.211
  147    HB2  GLN1522           HB2      GLN1522  45.567   0.508 -10.891
  148    HB3  GLN1522           HB3      GLN1522  46.566   1.720 -10.102
  149    HG2  GLN1522           HG2      GLN1522  47.884   2.056 -12.036
  150    HG3  GLN1522           HG3      GLN1522  47.355   0.545 -12.784
  151   HE21  GLN1522          HE21      GLN1522  44.738   2.510 -11.400
  152   HE22  GLN1522          HE22      GLN1522  44.194   3.064 -12.991
  153    H    CYS1523           HN       CYS1523  45.508  -1.837  -9.861
  154    HA   CYS1523           HA       CYS1523  46.211  -4.125 -11.371
  155    HB2  CYS1523           HB2      CYS1523  44.572  -4.145  -9.607
  156    HB3  CYS1523           HB3      CYS1523  43.543  -2.979 -10.454
  157    H    ARG1524           H        ARG1524  45.831  -4.801 -13.365
  158    HA   ARG1524           HA       ARG1524  45.687  -3.167 -15.652
  159    HB2  ARG1524           HB2      ARG1524  45.409  -5.256 -16.898
  160    HB3  ARG1524           HB3      ARG1524  46.616  -5.449 -15.631
  161    HG2  ARG1524           HG2      ARG1524  45.026  -6.696 -14.230
  162    HG3  ARG1524           HG3      ARG1524  43.713  -6.378 -15.365
  163    HD2  ARG1524           HD2      ARG1524  44.813  -7.695 -17.099
  164    HD3  ARG1524           HD3      ARG1524  46.183  -8.008 -16.040
  165    HE   ARG1524           HE       ARG1524  43.392  -9.047 -15.737
  166   HH11  ARG1524          HH11      ARG1524  46.736  -9.271 -14.580
  167   HH12  ARG1524          HH12      ARG1524  46.282 -10.513 -13.439
  168   HH21  ARG1524          HH21      ARG1524  42.991 -10.643 -14.201
  169   HH22  ARG1524          HH22      ARG1524  44.337 -11.258 -13.267
  170    H    HIS1525           H        HIS1525  42.977  -4.256 -13.759
  171    HA   HIS1525           HA       HIS1525  41.068  -3.365 -15.912
  172    HB2  HIS1525           HB2      HIS1525  41.134  -5.818 -15.785
  173    HB3  HIS1525           HB3      HIS1525  40.774  -5.757 -14.057
  174    HD2  HIS1525           HD2      HIS1525  38.253  -5.300 -13.325
  175    HE1  HIS1525           HE1      HIS1525  36.523  -4.951 -17.210
  176    HE2  HIS1525           HE2      HIS1525  36.021  -5.125 -14.721
  177    H    CYS1526           HN       CYS1526  41.160  -4.119 -12.379
  178    HA   CYS1526           HA       CYS1526  38.897  -2.525 -11.821
  179    HB2  CYS1526           HB2      CYS1526  40.993  -3.444  -9.832
  180    HB3  CYS1526           HB3      CYS1526  39.258  -3.270  -9.590
  181    H    GLU1527           H        GLU1527  42.154  -1.621 -12.290
  182    HA   GLU1527           HA       GLU1527  43.421   0.201 -12.051
  183    HB2  GLU1527           HB2      GLU1527  40.718   1.579 -12.033
  184    HB3  GLU1527           HB3      GLU1527  42.237   2.446 -11.981
  185    HG2  GLU1527           HG2      GLU1527  42.855   0.908 -14.076
  186    HG3  GLU1527           HG3      GLU1527  41.105   0.754 -14.205
  187    H    ARG1528           H        ARG1528  42.081  -0.974  -9.373
  188    HA   ARG1528           HA       ARG1528  42.467   1.072  -7.419
  189    HB2  ARG1528           HB2      ARG1528  42.853  -1.920  -6.967
  190    HB3  ARG1528           HB3      ARG1528  42.401  -0.701  -5.777
  191    HG2  ARG1528           HG2      ARG1528  40.708  -1.758  -8.074
  192    HG3  ARG1528           HG3      ARG1528  40.473  -2.060  -6.362
  193    HD2  ARG1528           HD2      ARG1528  39.860   0.301  -5.989
  194    HD3  ARG1528           HD3      ARG1528  40.243   0.689  -7.661
  195    HE   ARG1528           HE       ARG1528  38.318  -0.302  -8.440
  196   HH11  ARG1528          HH11      ARG1528  38.490  -0.967  -4.995
  197   HH12  ARG1528          HH12      ARG1528  36.827  -1.471  -4.923
  198   HH21  ARG1528          HH21      ARG1528  36.208  -0.953  -8.271
  199   HH22  ARG1528          HH22      ARG1528  35.567  -1.461  -6.737
  200    H    TRP1529           H        TRP1529  44.191   1.961  -6.569
  201    HA   TRP1529           HA       TRP1529  46.882   1.150  -7.392
  202    HB2  TRP1529           HB2      TRP1529  45.747   3.515  -5.861
  203    HB3  TRP1529           HB3      TRP1529  47.462   3.287  -6.161
  204    HD1  TRP1529           HD1      TRP1529  44.227   4.167  -7.978
  205    HE1  TRP1529           HE1      TRP1529  44.771   5.089 -10.315
  206    HE3  TRP1529           HE3      TRP1529  49.225   3.109  -8.113
  207    HZ2  TRP1529           HZ2      TRP1529  47.072   5.318 -12.029
  208    HZ3  TRP1529           HZ3      TRP1529  50.558   3.627 -10.141
  209    HH2  TRP1529           HH2      TRP1529  49.504   4.734 -12.099
  210    H    MET1530           H        MET1530  48.607   0.677  -6.074
  211    HA   MET1530           HA       MET1530  48.461   0.812  -3.164
  212    HB2  MET1530           HB2      MET1530  49.083  -1.506  -2.756
  213    HB3  MET1530           HB3      MET1530  47.503  -1.418  -3.518
  214    HG2  MET1530           HG2      MET1530  49.211  -1.705  -5.714
  215    HG3  MET1530           HG3      MET1530  50.024  -2.637  -4.470
  216    HE1  MET1530           HE1      MET1530  47.104  -2.218  -6.860
  217    HE2  MET1530           HE2      MET1530  46.183  -2.003  -5.356
  218    HE3  MET1530           HE3      MET1530  45.904  -3.434  -6.367
  219    H    HIS1531           H        HIS1531  50.638   0.547  -2.187
  220    HA   HIS1531           HA       HIS1531  52.747   1.614  -3.812
  221    HB2  HIS1531           HB2      HIS1531  53.243   0.104  -1.248
  222    HB3  HIS1531           HB3      HIS1531  54.170   1.394  -1.947
  223    HD2  HIS1531           HD2      HIS1531  53.124   3.949  -1.716
  224    HE1  HIS1531           HE1      HIS1531  50.485   2.949   1.475
  225    HE2  HIS1531           HE2      HIS1531  51.585   4.872   0.182
  226    H    ALA1532           H        ALA1532  54.719   0.578  -4.520
  227    HA   ALA1532           HA       ALA1532  54.401  -2.100  -5.549
  228    HB1  ALA1532           HB1      ALA1532  56.903  -0.390  -5.202
  229    HB2  ALA1532           HB2      ALA1532  55.779  -0.348  -6.584
  230    HB3  ALA1532           HB3      ALA1532  56.737  -1.796  -6.271
  231    H    GLY1533           H        GLY1533  56.121  -0.848  -2.642
  232    HA2  GLY1533           HA2      GLY1533  57.494  -3.185  -1.945
  233    HA3  GLY1533           HA3      GLY1533  57.048  -1.898  -0.827
  234    H    CYS1534           HN       CYS1534  54.105  -2.350  -1.061
  235    HA   CYS1534           HA       CYS1534  53.878  -4.591   0.778
  236    HB2  CYS1534           HB2      CYS1534  51.477  -3.883   0.853
  237    HB3  CYS1534           HB3      CYS1534  52.652  -2.748   1.442
  238    H    GLU1535           H        GLU1535  54.037  -4.591  -2.512
  239    HA   GLU1535           HA       GLU1535  52.839  -7.312  -2.584
  240    HB2  GLU1535           HB2      GLU1535  52.531  -5.132  -4.671
  241    HB3  GLU1535           HB3      GLU1535  52.320  -6.827  -5.070
  242    HG2  GLU1535           HG2      GLU1535  50.717  -5.319  -2.971
  243    HG3  GLU1535           HG3      GLU1535  50.176  -5.735  -4.588
  244    H    SER1536           H        SER1536  55.561  -6.363  -1.997
  245    HA   SER1536           HA       SER1536  57.716  -6.899  -2.411
  246    HB2  SER1536           HB2      SER1536  56.509  -9.393  -3.647
  247    HB3  SER1536           HB3      SER1536  58.170  -9.205  -3.046
  248    HG   SER1536           HG       SER1536  56.759 -10.181  -1.485
  249    H    LEU1537           H        LEU1537  56.623  -5.205  -4.403
  250    HA   LEU1537           HA       LEU1537  58.202  -5.844  -6.846
  251    HB2  LEU1537           HB2      LEU1537  55.697  -5.563  -7.001
  252    HB3  LEU1537           HB3      LEU1537  55.879  -3.940  -6.372
  253    HG   LEU1537           HG       LEU1537  57.356  -3.439  -8.410
  254   HD11  LEU1537          HD11      LEU1537  56.014  -5.995  -9.412
  255   HD12  LEU1537          HD12      LEU1537  57.731  -5.848  -9.039
  256   HD13  LEU1537          HD13      LEU1537  57.045  -4.884 -10.348
  257   HD21  LEU1537          HD21      LEU1537  55.029  -2.652  -8.203
  258   HD22  LEU1537          HD22      LEU1537  54.423  -4.225  -8.766
  259   HD23  LEU1537          HD23      LEU1537  55.331  -3.175  -9.867
  260    H    PHE1538           H        PHE1538  59.817  -4.386  -7.502
  261    HA   PHE1538           HA       PHE1538  60.456  -2.230  -5.522
  262    HB2  PHE1538           HB2      PHE1538  62.378  -4.185  -6.780
  263    HB3  PHE1538           HB3      PHE1538  62.775  -2.886  -5.652
  264    HD1  PHE1538           HD1      PHE1538  61.992  -2.881  -3.329
  265    HD2  PHE1538           HD2      PHE1538  61.426  -6.281  -5.924
  266    HE1  PHE1538           HE1      PHE1538  61.592  -4.316  -1.360
  267    HE2  PHE1538           HE2      PHE1538  61.027  -7.719  -3.946
  268    HZ   PHE1538           HZ       PHE1538  61.104  -6.749  -1.650
  269    H    THR1539           H        THR1539  62.491  -2.788  -8.350
  270    HA   THR1539           HA       THR1539  62.788   0.050  -8.634
  271    HB   THR1539           HB       THR1539  64.297  -0.435 -10.443
  272    HG1  THR1539           HG1      THR1539  64.491  -2.641 -11.164
  273   HG21  THR1539          HG21      THR1539  65.881  -1.935  -9.418
  274   HG22  THR1539          HG22      THR1539  64.619  -2.701  -8.432
  275   HG23  THR1539          HG23      THR1539  65.092  -1.008  -8.136
  276    H    GLU1540           H        GLU1540  62.530   1.342 -10.670
  277    HA   GLU1540           HA       GLU1540  59.885   1.137 -11.745
  278    HB2  GLU1540           HB2      GLU1540  62.331   2.688 -12.627
  279    HB3  GLU1540           HB3      GLU1540  60.785   2.762 -13.491
  280    HG2  GLU1540           HG2      GLU1540  59.621   3.398 -11.388
  281    HG3  GLU1540           HG3      GLU1540  61.175   3.441 -10.554
  282    H    ASP1541           H        ASP1541  62.881  -0.376 -12.840
  283    HA   ASP1541           HA       ASP1541  61.831  -1.252 -15.417
  284    HB2  ASP1541           HB2      ASP1541  64.089  -2.373 -13.723
  285    HB3  ASP1541           HB3      ASP1541  63.724  -2.830 -15.384
  286    H    ASP1542           H        ASP1542  62.057  -2.776 -12.162
  287    HA   ASP1542           HA       ASP1542  60.843  -5.283 -12.832
  288    HB2  ASP1542           HB2      ASP1542  62.210  -4.768 -10.817
  289    HB3  ASP1542           HB3      ASP1542  60.933  -3.702 -10.234
  290    H    VAL1543           H        VAL1543  59.539  -2.204 -11.674
  291    HA   VAL1543           HA       VAL1543  56.751  -2.871 -11.540
  292    HB   VAL1543           HB       VAL1543  58.292  -0.292 -11.840
  293   HG11  VAL1543          HG11      VAL1543  55.309  -0.550 -11.363
  294   HG12  VAL1543          HG12      VAL1543  56.103   0.202 -12.763
  295   HG13  VAL1543          HG13      VAL1543  56.277   0.927 -11.165
  296   HG21  VAL1543          HG21      VAL1543  56.676  -1.185  -9.432
  297   HG22  VAL1543          HG22      VAL1543  57.948   0.046  -9.557
  298   HG23  VAL1543          HG23      VAL1543  58.369  -1.661  -9.633
  299    H    GLU1544           H        GLU1544  58.672  -1.359 -14.240
  300    HA   GLU1544           HA       GLU1544  56.445  -1.238 -16.038
  301    HB2  GLU1544           HB2      GLU1544  58.525   0.025 -16.362
  302    HB3  GLU1544           HB3      GLU1544  59.419  -1.480 -16.642
  303    HG2  GLU1544           HG2      GLU1544  58.124  -1.923 -18.666
  304    HG3  GLU1544           HG3      GLU1544  57.029  -0.587 -18.304
  305    H    GLN1545           H        GLN1545  58.849  -3.847 -15.438
  306    HA   GLN1545           HA       GLN1545  57.815  -5.746 -17.299
  307    HB2  GLN1545           HB2      GLN1545  59.904  -6.091 -16.306
  308    HB3  GLN1545           HB3      GLN1545  59.326  -5.975 -14.672
  309    HG2  GLN1545           HG2      GLN1545  58.409  -8.196 -16.542
  310    HG3  GLN1545           HG3      GLN1545  59.930  -8.280 -15.659
  311   HE21  GLN1545          HE21      GLN1545  58.355  -6.809 -13.215
  312   HE22  GLN1545          HE22      GLN1545  57.599  -8.231 -12.528
  313    H    ALA1546           H        ALA1546  56.795  -5.111 -13.892
  314    HA   ALA1546           HA       ALA1546  54.739  -7.095 -13.894
  315    HB1  ALA1546           HB1      ALA1546  53.926  -5.918 -11.885
  316    HB2  ALA1546           HB2      ALA1546  54.987  -4.536 -12.246
  317    HB3  ALA1546           HB3      ALA1546  55.686  -6.127 -11.859
  318    H    ALA1547           H        ALA1547  54.629  -3.655 -14.891
  319    HA   ALA1547           HA       ALA1547  51.804  -3.531 -15.398
  320    HB1  ALA1547           HB1      ALA1547  54.113  -2.033 -16.690
  321    HB2  ALA1547           HB2      ALA1547  53.303  -1.567 -15.173
  322    HB3  ALA1547           HB3      ALA1547  52.403  -1.542 -16.709
  323    H    ASP1548           H        ASP1548  54.581  -4.349 -17.571
  324    HA   ASP1548           HA       ASP1548  52.999  -4.849 -19.915
  325    HB2  ASP1548           HB2      ASP1548  55.453  -4.401 -19.851
  326    HB3  ASP1548           HB3      ASP1548  55.713  -5.970 -19.085
  327    H    GLU1549           H        GLU1549  53.937  -6.883 -17.195
  328    HA   GLU1549           HA       GLU1549  52.763  -9.362 -18.245
  329    HB2  GLU1549           HB2      GLU1549  53.891  -8.479 -15.571
  330    HB3  GLU1549           HB3      GLU1549  53.091 -10.027 -15.724
  331    HG2  GLU1549           HG2      GLU1549  55.431  -9.158 -17.477
  332    HG3  GLU1549           HG3      GLU1549  55.586 -10.055 -15.979
  333    H    GLY1550           H        GLY1550  51.338  -6.591 -17.064
  334    HA2  GLY1550           HA2      GLY1550  49.101  -6.100 -16.689
  335    HA3  GLY1550           HA3      GLY1550  48.700  -7.786 -17.023
  336    H    PHE1551           H        PHE1551  50.492  -6.000 -14.467
  337    HA   PHE1551           HA       PHE1551  50.001  -7.446 -12.205
  338    HB2  PHE1551           HB2      PHE1551  51.329  -5.348 -12.395
  339    HB3  PHE1551           HB3      PHE1551  49.840  -4.421 -12.490
  340    HD1  PHE1551           HD1      PHE1551  52.171  -6.215 -10.296
  341    HD2  PHE1551           HD2      PHE1551  48.345  -4.208 -10.426
  342    HE1  PHE1551           HE1      PHE1551  52.210  -5.954  -7.830
  343    HE2  PHE1551           HE2      PHE1551  48.400  -3.961  -7.981
  344    HZ   PHE1551           HZ       PHE1551  50.336  -4.805  -6.673
  345    H    ASP1552           H        ASP1552  48.439  -7.539 -10.547
  346    HA   ASP1552           HA       ASP1552  45.728  -6.508 -11.088
  347    HB2  ASP1552           HB2      ASP1552  44.836  -8.794 -10.661
  348    HB3  ASP1552           HB3      ASP1552  45.511  -8.452 -12.224
  349    H    CYS1553           HN       CYS1553  44.332  -6.385  -9.450
  350    HA   CYS1553           HA       CYS1553  45.415  -6.660  -6.736
  351    HB2  CYS1553           HB2      CYS1553  43.771  -5.247  -6.030
  352    HB3  CYS1553           HB3      CYS1553  44.349  -4.578  -7.518
  353    H    VAL1554           H        VAL1554  42.357  -7.015  -6.111
  354    HA   VAL1554           HA       VAL1554  42.718  -9.953  -5.796
  355    HB   VAL1554           HB       VAL1554  41.087  -8.385  -3.846
  356   HG11  VAL1554          HG11      VAL1554  41.840 -10.308  -2.441
  357   HG12  VAL1554          HG12      VAL1554  42.755 -10.944  -3.834
  358   HG13  VAL1554          HG13      VAL1554  40.981 -10.865  -3.888
  359   HG21  VAL1554          HG21      VAL1554  43.274  -7.255  -3.803
  360   HG22  VAL1554          HG22      VAL1554  44.114  -8.822  -3.829
  361   HG23  VAL1554          HG23      VAL1554  43.146  -8.330  -2.417
  362    H    SER1555           H        SER1555  40.140  -7.589  -6.525
  363    HA   SER1555           HA       SER1555  37.971  -9.485  -6.548
  364    HB2  SER1555           HB2      SER1555  37.786  -7.007  -6.294
  365    HB3  SER1555           HB3      SER1555  38.227  -6.825  -8.002
  366    HG   SER1555           HG       SER1555  35.929  -6.804  -7.613
  367    H    CYS1556           HN       CYS1556  40.434  -8.760  -8.886
  368    HA   CYS1556           HA       CYS1556  39.037  -9.727 -11.224
  369    HB2  CYS1556           HB2      CYS1556  41.469  -9.428 -12.113
  370    HB3  CYS1556           HB3      CYS1556  40.530  -8.011 -11.632
  371    H    GLN1557           H        GLN1557  41.007 -11.203  -8.723
  372    HA   GLN1557           HA       GLN1557  41.873 -13.491 -10.152
  373    HB2  GLN1557           HB2      GLN1557  41.123 -13.446  -7.207
  374    HB3  GLN1557           HB3      GLN1557  42.176 -14.575  -8.042
  375    HG2  GLN1557           HG2      GLN1557  42.656 -11.655  -7.505
  376    HG3  GLN1557           HG3      GLN1557  43.556 -13.013  -6.831
  377   HE21  GLN1557          HE21      GLN1557  44.241 -10.525  -8.566
  378   HE22  GLN1557          HE22      GLN1557  45.141 -11.228  -9.901
  379    HA   PRO1558           HA       PRO1558  37.715 -15.653  -9.608
  380    HB2  PRO1558           HB2      PRO1558  35.486 -14.411  -8.648
  381    HB3  PRO1558           HB3      PRO1558  36.658 -15.314  -7.644
  382    HG2  PRO1558           HG2      PRO1558  36.481 -12.326  -8.074
  383    HG3  PRO1558           HG3      PRO1558  36.738 -13.250  -6.555
  384    HD2  PRO1558           HD2      PRO1558  38.826 -12.128  -7.900
  385    HD3  PRO1558           HD3      PRO1558  38.959 -13.670  -7.018
  386    H    TYR1559           H        TYR1559  37.193 -12.095 -10.319
  387    HA   TYR1559           HA       TYR1559  35.270 -12.889 -12.387
  388    HB2  TYR1559           HB2      TYR1559  36.057 -10.134 -11.441
  389    HB3  TYR1559           HB3      TYR1559  34.678 -10.542 -12.456
  390    HD1  TYR1559           HD1      TYR1559  33.373 -12.819 -11.247
  391    HD2  TYR1559           HD2      TYR1559  35.233  -9.410  -9.363
  392    HE1  TYR1559           HE1      TYR1559  31.943 -13.140  -9.241
  393    HE2  TYR1559           HE2      TYR1559  33.814  -9.737  -7.364
  394    HH   TYR1559           HH       TYR1559  32.155 -11.007  -6.361
  395    H    VAL1560           H        VAL1560  38.616 -11.769 -12.675
  396    HA   VAL1560           HA       VAL1560  38.383 -11.964 -15.579
  397    HB   VAL1560           HB       VAL1560  37.514  -9.754 -15.296
  398   HG11  VAL1560          HG11      VAL1560  38.561  -9.022 -13.211
  399   HG12  VAL1560          HG12      VAL1560  38.768  -7.859 -14.513
  400   HG13  VAL1560          HG13      VAL1560  40.135  -8.867 -14.035
  401   HG21  VAL1560          HG21      VAL1560  38.883  -8.561 -16.862
  402   HG22  VAL1560          HG22      VAL1560  38.859 -10.276 -17.294
  403   HG23  VAL1560          HG23      VAL1560  40.292  -9.573 -16.509
  404    H    VAL1561           H        VAL1561  39.771 -13.723 -15.005
  405    HA   VAL1561           HA       VAL1561  42.580 -13.179 -14.384
  406    HB   VAL1561           HB       VAL1561  43.016 -15.476 -15.089
  407   HG11  VAL1561          HG11      VAL1561  41.820 -16.579 -13.281
  408   HG12  VAL1561          HG12      VAL1561  40.629 -15.270 -13.215
  409   HG13  VAL1561          HG13      VAL1561  42.317 -14.957 -12.769
  410   HG21  VAL1561          HG21      VAL1561  41.199 -17.039 -15.613
  411   HG22  VAL1561          HG22      VAL1561  41.334 -15.805 -16.866
  412   HG23  VAL1561          HG23      VAL1561  40.025 -15.713 -15.666
  413    H    LYS1562           H        LYS1562  44.343 -13.082 -15.857
  414    HA   LYS1562           HA       LYS1562  43.712 -11.838 -18.412
  415    HB2  LYS1562           HB2      LYS1562  46.094 -11.627 -18.749
  416    HB3  LYS1562           HB3      LYS1562  45.618 -11.035 -17.167
  417    HG2  LYS1562           HG2      LYS1562  46.557 -13.001 -16.067
  418    HG3  LYS1562           HG3      LYS1562  46.868 -13.781 -17.631
  419    HD2  LYS1562           HD2      LYS1562  48.445 -11.985 -18.237
  420    HD3  LYS1562           HD3      LYS1562  48.145 -11.172 -16.688
  421    HE2  LYS1562           HE2      LYS1562  49.066 -13.069 -15.453
  422    HE3  LYS1562           HE3      LYS1562  49.212 -14.024 -16.933
  423    HZ1  LYS1562           HZ1      LYS1562  50.900 -12.510 -17.734
  424    HZ2  LYS1562           HZ2      LYS1562  51.341 -12.944 -16.229
  425    HZ3  LYS1562           HZ3      LYS1562  50.684 -11.461 -16.500
  426    HA   LYS  12           HA       LYS  12  55.373   1.914 -18.227
  427    H    GLY  13           H        GLY  13  52.825   2.160 -18.697
  428    HA2  GLY  13           HA2      GLY  13  52.029   4.560 -17.442
  429    HA3  GLY  13           HA3      GLY  13  51.018   3.561 -18.488
  430    H    GLY  14           H        GLY  14  51.310   1.285 -16.440
  431    HA2  GLY  14           HA2      GLY  14  49.054   1.906 -14.692
  432    HA3  GLY  14           HA3      GLY  14  49.973   0.400 -14.763
  433    H    ALA  15           H        ALA  15  52.110   3.039 -14.298
  434    HA   ALA  15           HA       ALA  15  52.074   2.698 -11.342
  435    HB1  ALA  15           HB1      ALA  15  54.505   2.534 -13.154
  436    HB2  ALA  15           HB2      ALA  15  53.699   1.168 -12.341
  437    HB3  ALA  15           HB3      ALA  15  54.498   2.438 -11.380
  438   HH31  ALY  16           H26      ALY  16  45.928   8.900  -9.644
  439   HH32  ALY  16           H27      ALY  16  46.170  10.228 -10.796
  440   HH33  ALY  16           H28      ALY  16  46.317  10.533  -9.053
  441    HZ   ALY  16           HZ1      ALY  16  47.939   9.028  -7.955
  442    HE3  ALY  16           HE3      ALY  16  50.525   9.164  -9.391
  443    HE2  ALY  16           HE2      ALY  16  50.288   8.946  -7.651
  444    HD3  ALY  16           HD3      ALY  16  49.543   6.657  -7.951
  445    HD2  ALY  16           HD2      ALY  16  49.502   6.840  -9.702
  446    HG3  ALY  16           HG3      ALY  16  52.027   6.932  -7.993
  447    HG2  ALY  16           HG2      ALY  16  51.447   5.544  -8.910
  448    HB3  ALY  16           HB3      ALY  16  51.540   7.085 -10.993
  449    HB2  ALY  16           HB2      ALY  16  52.485   8.190  -9.993
  450    HA   ALY  16           HA       ALY  16  53.923   6.839 -11.391
  451    H    ALY  16           H        ALY  16  53.192   4.279 -10.116
  452    H    ARG  17           H        ARG  17  55.624   7.826 -10.420
  453    HA   ARG  17           HA       ARG  17  57.082   6.295  -8.476
  454    HB2  ARG  17           HB2      ARG  17  58.075   7.536 -10.345
  455    HB3  ARG  17           HB3      ARG  17  57.693   9.073  -9.546
  456    HG2  ARG  17           HG2      ARG  17  59.257   8.684  -7.797
  457    HG3  ARG  17           HG3      ARG  17  59.325   6.943  -8.119
  458    HD2  ARG  17           HD2      ARG  17  61.379   8.062  -8.822
  459    HD3  ARG  17           HD3      ARG  17  60.563   7.275 -10.156
  460    HE   ARG  17           HE       ARG  17  60.655  10.225  -9.613
  461   HH11  ARG  17          HH11      ARG  17  60.093   7.676 -12.025
  462   HH12  ARG  17          HH12      ARG  17  60.002   8.847 -13.308
  463   HH21  ARG  17          HH21      ARG  17  60.516  11.603 -11.322
  464   HH22  ARG  17          HH22      ARG  17  60.243  10.998 -12.927
  465    H    HIS  18           H        HIS  18  54.820   8.857  -7.998
  466    HA   HIS  18           HA       HIS  18  55.068   8.552  -5.089
  467    HB2  HIS  18           HB2      HIS  18  55.181  10.959  -4.663
  468    HB3  HIS  18           HB3      HIS  18  56.605  10.413  -5.536
  469    HD2  HIS  18           HD2      HIS  18  53.745  12.867  -5.723
  470    HE1  HIS  18           HE1      HIS  18  55.689  13.156  -9.506
  471    HE2  HIS  18           HE2      HIS  18  53.943  14.212  -7.982
  472    H    ARG  19           H        ARG  19  53.255   9.314  -3.944
  473    HA   ARG  19           HA       ARG  19  50.985   9.447  -3.541