*HEADER   HORMONE                                 28-FEB-92   1HIS    
*COMPND   INSULIN (HUMAN, DES-PENTAPEPTIDE (B 26 - B 30)) (NMR,       
*COMPND  2 REPRESENTATIVE PLUS 14 STRUCTURES)                         
*SOURCE   HUMAN (HOMO SAPIENS) PANCREAS                               
*AUTHOR   Q.X.HUA,M.KOCHOYAN,M.A.WEISS                                
*REVDAT  1   31-JAN-94 1HIS    0                                      


#dpi NOE constraints 200 ms mixing time
#Cutoffs for strong, medium and weak seqential's
#are 2.7, 3.4 and 4.3 A.
#Corrections for metyl, methylene and phenyl
#groups are 1.0, 1.7 and 2.1 A.
         
         2 ILE	HA	 3 VAL	HN	3.4	
         3 VAL	HA	 4 GLU	HN      4.3	
         4 GLU	HA	 5 GLN	HN      4.3	
         5 GLN	HA	 6 CYS	HN      4.3	
         8 THR	HA	 9 SER	HN	4.3
         9 SER	HA	10 ILE	HN	3.4
        10 ILE	HA	11 CYS	HN	3.4
        12 SER	HA	13 LEU	HN	2.7
        13 LEU	HA	14 TYR	HN	3.4
        14 TYR	HA	15 GLN	HN	4.3 
        15 GLN	HA	16 LEU	HN	3.4
        16 LEU	HA	17 GLU	HN	3.4
        17 GLU	HA	18 ASN	HN	4.3
        18 ASN	HA	19 TYR	HN	4.3
        19 TYR	HA	20 CYS	HN	4.3
        
         2 ILE	HN	 3 VAL	HN	4.3 
         3 VAL	HN	 4 GLU	HN	3.4
         4 GLU	HN	 5 GLN	HN	3.4
         5 GLN	HN	 6 CYS	HN	3.4
         6 CYS	HN	 7 CYS	HN	3.4
         7 CYS	HN	 8 THR	HN	3.4
         8 THR	HN	 9 SER	HN	3.4
        10 ILE	HN	11 CYS	HN	4.3
        13 LEU	HN	14 TYR	HN	3.4
        14 TYR	HN	15 GLN	HN	3.4
        15 GLN	HN	16 LEU	HN	3.4
        16 LEU	HN	17 GLU	HN	3.4
        17 GLU	HN	18 ASN	HN	3.4
        18 ASN	HN	19 TYR	HN	3.4
        19 TYR	HN	20 CYS	HN	3.4
        20 CYS	HN	21 ASN	HN	4.3	
         
         4 GLU	HB1	 5 GLN	HN      5.1 	
         4 GLU	HB2	 5 GLN	HN      5.1 	
         5 GLN	HB1	 6 CYS	HN      5.1 
         5 GLN	HB2	 6 CYS	HN      5.1 
         6 CYS	HB1	 7 CYS	HN      4.3 	
         7 CYS	HB2	 8 THR	HN      3.4 	
         8 THR	HB	 9 SER	HN	4.3
         9 SER	HB1	10 ILE	HN      4.3 	
         9 SER	HB2	10 ILE	HN      4.3 	
        10 ILE	HB	11 CYS	HN	4.3
        11 CYS	HB1	12 SER	HN      6.0	
        11 CYS	HB2	12 SER	HN      6.0	
        12 SER  HB1     13 LEU  HN      2.7 
        13 LEU  HB1     14 TYR  HN      4.3 
        13 LEU  HB2     14 TYR  HN      4.3 
        14 TYR	HB1	15 GLN	HN      3.4	
        15 GLN	HB1	16 LEU	HN      5.1	
        15 GLN	HB2	16 LEU	HN      5.1	
        16 LEU	HB1	17 GLU	HN      5.1 	
        16 LEU	HB2	17 GLU	HN      5.1 	
        17 GLU	HB1	18 ASN	HN      3.4 	
        17 GLU	HB2	18 ASN	HN      3.4 	
        18 ASN	HB1	19 TYR	HN      5.1 	
        18 ASN	HB2	19 TYR	HN      5.1 	
        19 TYR	HB1	20 CYS	HN      5.1 	
        19 TYR	HB2	20 CYS	HN      5.1 	

                                           
         2 ILE	MG	 3 VAL	HN      6.0	
         3 VAL	MG1	 4 GLU	HN      5.3 
         4 GLU	HG1	 5 GLN	HN      4.3 
         4 GLU	HG2	 5 GLN	HN      4.3 
        10 ILE	MG	11 CYS	HN      5.3 
        13 LEU	HG	14 TYR	HN      4.3   
        17 GLU	HG1	19 TYR	HN      6.0  
        17 GLU	HG2	19 TYR	HN      6.0  
                       
       
         2 ILE	HA	 5 GLN	HN      4.3 
         2 ILE	HA	 4 GLU 	HN      4.3 
         2 ILE  HA   	 5 GLN 	HB2     4.3 
         3 VAL	HN	 5 GLN 	HN      4.3
         3 VAL	HA	 5 GLN 	HN      4.3
         4 GLU	HA	 6 CYS 	HN      4.3
         4 GLU	HA	 7 CYS 	HN      4.3 
         5 GLN	HN       7 CYS	HN      4.3 
         5 GLN	HA       8 THR	HB      4.3
         
        12 SER	HN      16 LEU	HN      4.3
        12 SER	HN      15 GLN	HB1     2.7 
        12 SER	HN      15 GLN	HN      4.3
        13 LEU	HN      15 GLN	HN      4.3
        13 LEU	HA      16 LEU	HN      3.4
        13 LEU	HB1     16 LEU	HN      6.0 
        13 LEU	HB2     16 LEU	HN      6.0 
        13 LEU	HA      16 LEU	HB1     4.3 
        13 LEU	HA      16 LEU	HB2     4.3 
        14 TYR	HA      17 GLU	HN      4.3
        14 TYR	HN      17 GLU	HN      4.3 
        14 TYR	HA      17 GLU	HB1     3.4 
        14 TYR	HA      17 GLU	HG2     4.3 
        14 TYR	HD2     17 GLU	HG1     4.3 
        15 GLN	HN      17 GLU	HN      4.3
        15 GLN	HA      17 GLU	HN      4.3 
        15 GLN	HA      18 ASN	HN      4.3                                   
        15 GLN	HA      18 ASN	HB1     6.0 
        15 GLN	HA      18 ASN	HB2     6.0 
        16 LEU	HA      18 ASN	HN      4.3

         6 CYS	HN      11 CYS	HB1     4.3 
         6 CYS	HN      11 CYS	HB2     4.3 
         6 CYS	HA      11 CYS	HB1     6.0 
         6 CYS	HA      11 CYS	HB2     6.0 
         7 CYS	HB1     107 CYS	HA      4.3 
         7 CYS	HB2     107 CYS	HN      4.3 
        20 CYS	HN      119 CYS	HB1     4.3 
        20 CYS	HN      119 CYS	HB2     4.3 
     	
         2 ILE	HB       19 TYR	HD2     3.4 
         2 ILE	HB       19 TYR	HE3     3.4 
         2 ILE	HG1      19 TYR	HD2     6.0 
         2 ILE	HG2      19 TYR	HD2     6.0 
         2 ILE	MG       19 TYR	HD2     5.3 
         2 ILE	MG       19 TYR	HE3     3.7 
         2 ILE	HG1      19 TYR	HE3     5.1 
         2 ILE	HG2      19 TYR	HE3     5.1 
         6 CYS	HA       10 ILE	HA      4.3 
         7 CYS	HN        8 THR	HA      4.3 
         7 CYS	HN        8 THR	HB      4.3 
         7 CYS	HN        8 THR	MG      5.3 
         7 CYS	HN        3 VAL	HA      4.3 
         9 SER	HA       10 ILE	MD      4.3 
         9 SER	HA       10 ILE	HG1     6.0 
         9 SER	HA       10 ILE	HG2     6.0 
        12 SER	HA       13 LEU	HB1     6.0 
        12 SER	HA       13 LEU	HB2     6.0 
        14 TYR	HD6      15 GLN	HA      4.3 
        14 TYR	HD6      15 GLN	HG1     5.1 
        14 TYR	HD6      15 GLN	HG2     5.1 
        15 GLN	HA       18 ASN	HD1     6.0 
        15 GLN	HA       18 ASN	HD2     6.0 
        15 GLN	HN       13 LEU	HN      4.3
        16 LEU	MD1      19 TYR	HD2     6.0 
        16 LEU	MD2      19 TYR	CG1     8.1 
        16 LEU	MD1      19 TYR	HE3     6.0 
        16 LEU	MD2      19 TYR	CZ4     8.1 
        19 TYR	HD6      16 LEU	HA      2.7 
        19 TYR	HE5      16 LEU	HA      3.4 
        19 TYR	HE3      2  ILE	HN      4.3 
        19 TYR	HE5      15 GLN	HA      5.1 
        19 TYR	HN       17 GLU	HA      4.3 

       101 PHE	HA      102 VAL	HN      3.4
       102 VAL	HA      103 ASN	HN      2.7
       103 ASN	HA      104 GLN	HN      2.7
       104 GLN	HA      105 HIS	HN      3.4
       105 HIS	HA      106 LEU	HN      3.4
       106 LEU	HA      107 CYS	HN      2.7
       108 GLY	HA1     109 SER	HN      4.3 
       108 GLY	HA2     109 SER	HN      4.3 
       108 GLY	HA1     110 HIS	HN      4.3 
       108 GLY	HA2     110 HIS	HN      4.3 
       109 SER	HA      110 HIS	HN      3.4
       110 HIS	HA      111 LEU	HN      4.3
       111 LEU	HA      112 VAL	HN      4.3
       112 VAL	HA      111 LEU	MD1     6.0 
       112 VAL	HA      111 LEU	MD2     6.0 
       112 VAL	HA      115 LEU	MD1     5.4 
       112 VAL	HA      115 LEU	MD2     5.4 
       112 VAL	HA      113 GLU	HN      4.3
       113 GLU	HA      114 ALA	HN      3.4
       114 ALA	HA      115 LEU	HN      3.4
       115 LEU	HA      116 TYR	HN      3.4
       115 LEU	HA      118 VAL	HN      3.4
       115 LEU	HA      118 VAL	HB      3.4
       115 LEU	HB1     124 PHE	CZ4     7.2 
       115 LEU	HB2     124 PHE	CZ4     7.2 
       115 LEU	HB1     124 PHE	CG1     7.2 
       115 LEU	HB2     124 PHE	CG1     7.2 
       115 LEU	MD1     124 PHE	CZ4     5.8 
       115 LEU	MD2     124 PHE	HE3     5.3 
       115 LEU	MD1     124 PHE	CG1     4.9 
       115 LEU	HB1     114 ALA	HN      4.3 
       115 LEU	HB2     114 ALA	HN      4.3 
       116 TYR	HA      117 LEU	HN      4.3
       117 LEU	HA      118 VAL	HN      4.3
       117 LEU	HB2     114 ALA	HA      2.7 
       117 LEU	HB2     118 VAL	HA      4.3 
       118 VAL	HA      119 CYS	HN      3.4
       119 CYS	HA      120 GLY	HN      4.3
       120 GLY	HA1     121 GLU	HN      3.4 
       120 GLY	HA2     121 GLU	HN      3.4 
       121 GLU	HA      122 ARG	HN      3.4
       122 ARG	HA      123 GLY	HN      3.4
       123 GLY	HA1     124 PHE	HN      2.7 
       123 GLY	HA2     124 PHE	HN      2.7 

       101 PHE	HB1     102 VAL	HN      4.4 
       101 PHE	HB2     102 VAL	HN      4.4 
       102 VAL	HB      103 ASN	HN      3.4
       103 ASN	HB1     104 GLN	HN      6.0 
       103 ASN	HB2     104 GLN	HN      6.0 
       104 GLN	HB1     105 HIS	HN      4.3 
       104 GLN	HB2     105 HIS	HN      4.3 
       105 HIS	HB2     106 LEU	HN      4.3  
       106 LEU	HB2     107 CYS	HN      4.3 
       107 CYS	HB1     108 GLY	HN      6.0 
       107 CYS	HB2     108 GLY	HN      6.0 
       109 SER	HB1     110 HIS	HN      6.0 
       109 SER	HB2     110 HIS	HN      6.0 
       110 HIS	HB1     111 LEU	HN      4.3 
       111 LEU	HB1     112 VAL	HN      4.3 
       112 VAL	HB      113 GLU	HN      4.3 
       113 GLU	HB1     114 ALA	HN      5.1 
       113 GLU	HB2     114 ALA	HN      5.1 
       114 ALA	MB      115 LEU	HN      4.4
       115 LEU	HB1     116 TYR	HN      5.1 
       115 LEU	HB2     116 TYR	HN      5.1 
       116 TYR	HB1     117 LEU	HN      5.1 
       116 TYR	HB2     117 LEU	HN      5.1 
       117 LEU	HB1     118 VAL	HN      4.3 
       117 LEU	HB2     118 VAL	HN      4.3 
       118 VAL	HB      119 CYS	HN      3.4
       119 CYS	HB1     120 GLY	HN      4.3 
       119 CYS	HB2     120 GLY	HN      4.3 
       121 GLU	HB1     122 ARG	HN      5.1 
       121 GLU	HB2     122 ARG	HN      5.1 
       122 ARG	HB1     123 GLY	HN      5.1 
       122 ARG	HB2     123 GLY	HN      5.1 
       124 PHE	HB1     125 PHE	HN      3.4 

       102 VAL	HN      103 ASN	HN      4.3 
       104 GLN	HN      105 HIS	HN      4.3 
       106 LEU	HN      107 CYS	HN      4.3
       108 GLY	HN      109 SER	HN      4.3 
       109 SER	HN      110 HIS	HN      3.4
       110 HIS	HN      111 LEU	HN      3.4
       111 LEU	HN      112 VAL	HN      4.3
       112 VAL	HN      113 GLU	HN      3.4
       113 GLU	HN      114 ALA	HN      3.4
       114 ALA	HN      115 LEU	HN      3.4
       115 LEU	HN      116 TYR	HN      3.4
       116 TYR	HN      117 LEU	HN      3.4
       117 LEU	HN      118 VAL	HN      3.4
       118 VAL	HN      119 CYS	HN      3.4
       119 CYS	HN      120 GLY	HN      4.3 
       120 GLY	HN      121 GLU	HN      4.3 
       121 GLU	HN      122 ARG	HN      3.4
       122 ARG	HN      123 GLY	HN      3.4
       124 PHE	HN      125 PHE	HN      4.3 

       102 VAL	MG1     103 ASN	HN      5.1 
       102 VAL	MG2     103 ASN	HN      5.1 
       111 LEU	HG      112 VAL	HN      4.3
       112 VAL	MG1     113 GLU	HN      5.4 
       112 VAL	MG2     113 GLU	HN      5.4 
       118 VAL 	MG1     119 CYS	HN      5.4 
       118 VAL 	MG2     119 CYS	HN      5.4 
       117 LEU  MD1     118 VAL	HN      7.0
       117 LEU  MD2     118 VAL	HN      7.0
       106 LEU	MD1     107 CYS	HN      7.0 
       106 LEU	MD2     107 CYS	HN      7.0 
       115 LEU	MD1     116 TYR	HN      7.0 
       115 LEU	MD2     116 TYR	HN      7.0 
       116 TYR	HD2     117 LEU	HN      3.4 
       122 ARG	HD1     123 GLY	HN      6.0 
       122 ARG	HD2     123 GLY	HN      6.0 

       109 SER	HA      112 VAL	HN      3.4
       109 SER	HA      112 VAL	HB      4.3 
       109 SER	HA      112 VAL	MG1     5.4 	
       109 SER	HA      112 VAL	MG2     5.4 	
       109 SER	HN      112 VAL	MG1     7.0 
       109 SER	HN      112 VAL	MG2     7.0 
       110 HIS	HN      112 VAL	MG1     7.0 
       110 HIS	HN      112 VAL	MG2     7.0 
       110 HIS	HA      113 GLU	HN      4.3
       110 HIS	HB2     113 GLU	HN      4.3 
       110 HIS	HA      113 GLU	HB1     4.4 
       110 HIS	HA      113 GLU	HB2     4.4 
       111 LEU	HA      114 ALA	MB      4.4 
       111 LEU	MD2     114 ALA	HN      5.3 
       112 VAL	HN      115 LEU	HN      4.3 
       112 VAL	HA      115 LEU	HB1     4.4 
       112 VAL	HA      115 LEU	HB2     4.4 
       112 VAL	HA      115 LEU	HN      3.4
       112 VAL	MG1     116 TYR	HB1     7.0 
       112 VAL	MG1     116 TYR	HB2     7.0 
       112 VAL	MG2     116 TYR	HB1     7.0 
       112 VAL	MG2     116 TYR	HB2     7.0 
       113 GLU	HA      116 TYR	HB1     4.4 
       113 GLU	HA      116 TYR	HB2     4.4 
       113 GLU	HA      116 TYR	HN      3.4
       121 GLU	HA      123 GLY	HN      4.3 

       101 PHE	HE5     103 ASN	HA      4.3 
       101 PHE	HD6     102 VAL	HN      3.4 
       106 LEU	MD1     114 ALA	MB      2.7 
       106 LEU	MD2     114 ALA	MB      2.7 
       106 LEU	MD2     110 HIS	HB1     4.4 
       106 LEU	MD1     111 LEU	HA      4.3 
       106 LEU	MD2     111 LEU	HA      4.3 
       106 LEU	MD1     111 LEU	HB1     5.4 
       106 LEU	MD2     111 LEU	HB1     5.4 
       107 CYS	HN      110 HIS	HB1     4.3 
       108 GLY	HA1     112 VAL	HN      4.3 
       111 LEU	HA      106 LEU	HB1     3.4 
       111 LEU	HB2     112 VAL	HA      4.3 
       112 VAL	HA      115 LEU	HB1     4.3 
       112 VAL	HA      115 LEU	HB2     4.3 
       112 VAL	HA      115 LEU	HG      3.4        
       113 GLU	HN      114 ALA	HA      4.3
       116 TYR	HN      114 ALA	HN      4.3
       116 TYR	HN      114 ALA	HA      4.3
       116 TYR	HN      115 LEU	HG      4.3 
       116 TYR	HD2     117 LEU	HA      3.4 
       116 TYR	HD2     117 LEU	MD1     5.3  
       116 TYR	HD2     117 LEU	MD2     5.3  
       116 TYR	HE5     120 GLY	HA1     6.0 
       116 TYR	HE5     120 GLY	HA2     6.0 
       117 LEU	HN      113 GLU	HA      4.3
       117 LEU	HN      114 ALA	HA      4.3
       117 LEU	HN      118 VAL	MG1     5.3 
       117 LEU	HN      116 TYR	HD2     4.3 
       119 CYS	HN      120 GLY	HA1     4.3
       119 CYS	HN      120 GLY	HA2     4.3
       119 CYS	HA      118 VAL	MG1     5.3 
       122 ARG	HN      120 GLY	HA1     4.3
       122 ARG	HN      120 GLY	HA2     4.3
       122 ARG	HB1     119 CYS	HA      6.0 
       122 ARG	HB2     119 CYS	HA      6.0 
       124 PHE	HD6     123 GLY	HA1     6.0 
       124 PHE	HD6     123 GLY	HA2     6.0 
       124 PHE	HD6     116 TYR	HA      4.3 
       124 PHE	HD6     119 CYS	HA      4.3 
       124 PHE	HE5     116 TYR	HA      2.7 
       124 PHE	HE5     116 TYR	HB1     5.1 
       124 PHE	HE5     116 TYR	HB2     5.1 
       124 PHE	HE5     116 TYR	HN      4.3 
       124 PHE	HE3     112 VAL	MG1     6.0 
       124 PHE	HE3     112 VAL	MG2     6.0 
       125 PHE	HN      124 PHE	CG1     6.4 

         3 VAL	HA      111 LEU	MD1     4.4 
         6 CYS	HB2     106 LEU	MD2     5.3 
         6 CYS	HB2     106 LEU	HB1     3.4 
         6 CYS	HB1     111 LEU	MD2     3.4 
         7 CYS	HA      106 LEU	HN      4.3 
         7 CYS	HA      105 HIS	HA      4.3
         7 CYS	HA      105 HIS	HB2     3.4 
         9 SER	HN      105 HIS	HB2     4.3 
         9 SER	HA      105 HIS	HE2     3.4 
        10 ILE	MG      104 GLN	HA      4.4 
        10 ILE	HB      104 GLN	HN      5.5 
        10 ILE	MG      104 GLN	HN      6.0 
        10 ILE	MG      103 ASN	HA      5.3 
        10 ILE	MG      103 ASN	HB1     7.0 
        10 ILE	MG      103 ASN	HB2     7.0 
        10 ILE	HG1     103 ASN	HB1     8.4 
        10 ILE	HG1     103 ASN	HB2     8.4 
        10 ILE	HG2     103 ASN	HB1     8.4 
        10 ILE	HG2     103 ASN	HB2     8.4 
        10 ILE	MD      105 HIS	HE2     4.4 
        10 ILE	MD      105 HIS	HD4     4.4 
        10 ILE	HN      105 HIS	HE2     4.3
        13 LEU  MD1     101 PHE	HD2     9.1 
        13 LEU  MD1     101 PHE	HD6     9.1 
        13 LEU  MD2     101 PHE	HD2     9.1 
        13 LEU  MD2     101 PHE	HD6     9.1 
        16 LEU	HB1     118 VAL	MG1     6.8
        16 LEU	HB2     118 VAL	MG1     6.8
        16 LEU	HB1     118 VAL	MG2     6.8 
        16 LEU	HB2     118 VAL	MG2     6.8 
        16 LEU	MD1     118 VAL	HB      7.0 
        16 LEU	MD2     118 VAL	HB      7.0 
        16 LEU	MD1     114 ALA	MB      5.4 
        16 LEU	MD2     114 ALA	MB      5.4 
        17 GLU	HN      118 VAL	MG1     7.0 
        17 GLU	HN      118 VAL	MG2     7.0 
        17 GLU	HA      118 VAL	MG1     5.4 
        17 GLU	HA      118 VAL	MG2     5.4 
        19 TYR	HB1     115 LEU	MD1     4.3 
        19 TYR	HB2     115 LEU	MD2     4.3 
        19 TYR	HD2     115 LEU	MD1     7.0 
        19 TYR	HD2     115 LEU	MD2     6.1 
        20 CYS	HB1     122 ARG	HG1     7.7 
        20 CYS	HB1     122 ARG	HG2     7.7 
        20 CYS	HB2     122 ARG	HG1     7.7 
        20 CYS	HB2     122 ARG	HG2     7.7 
        21 ASN	HN      122 ARG	HB1     5.1 
        21 ASN	HN      122 ARG	HB2     5.1 


  Entry H atom name         Orig H atom name
 Raw file had 343 H/Q atoms
  Start of MODEL    0
    1   1H    GLY   1           HT1      GLY   1  -1.660  -4.668  -9.540
    2   2H    GLY   1           HT3      GLY   1  -1.433  -6.035 -10.510
    3   3H    GLY   1           HT2      GLY   1  -2.868  -5.856  -9.622
    4   1HA   GLY   1           HA1      GLY   1  -1.987  -6.894  -7.899
    5   2HA   GLY   1           HA2      GLY   1  -0.488  -7.098  -8.823
    6    H    ILE   2           HN       ILE   2  -0.222  -6.741  -6.148
    7    HA   ILE   2           HA       ILE   2  -0.174  -4.593  -4.741
    8    HB   ILE   2           HB       ILE   2   2.030  -5.197  -3.781
    9   1HG1  ILE   2          HG12      ILE   2   2.388  -7.186  -6.074
   10   2HG1  ILE   2          HG11      ILE   2   3.262  -5.674  -5.940
   11   1HG2  ILE   2          HG22      ILE   2   0.043  -6.484  -3.148
   12   2HG2  ILE   2          HG21      ILE   2   0.276  -7.599  -4.484
   13   3HG2  ILE   2          HG23      ILE   2   1.434  -7.522  -3.171
   14   1HD1  ILE   2           HD2      ILE   2   4.189  -6.386  -3.732
   15   2HD1  ILE   2           HD1      ILE   2   3.341  -7.908  -3.901
   16   3HD1  ILE   2           HD3      ILE   2   4.608  -7.487  -5.030
   17    H    VAL   3           HN       VAL   3   2.289  -4.619  -7.215
   18    HA   VAL   3           HA       VAL   3   2.940  -1.781  -6.436
   19    HB   VAL   3           HB       VAL   3   4.729  -3.569  -6.336
   20   1HG1  VAL   3          HG12      VAL   3   3.985  -4.976  -8.188
   21   2HG1  VAL   3          HG11      VAL   3   4.389  -3.703  -9.342
   22   3HG1  VAL   3          HG13      VAL   3   5.655  -4.490  -8.419
   23   1HG2  VAL   3          HG21      VAL   3   5.375  -1.225  -6.676
   24   2HG2  VAL   3          HG23      VAL   3   6.506  -2.324  -7.441
   25   3HG2  VAL   3          HG22      VAL   3   5.357  -1.444  -8.418
   26    H    GLU   4           HN       GLU   4   0.854  -2.917  -8.406
   27    HA   GLU   4           HA       GLU   4   1.480  -0.943 -10.521
   28   1HB   GLU   4           HB1      GLU   4  -0.844  -2.915 -10.825
   29   2HB   GLU   4           HB2      GLU   4   0.198  -2.273 -12.067
   30   1HG   GLU   4           HG2      GLU   4   2.055  -3.832 -11.141
   31   2HG   GLU   4           HG1      GLU   4   0.770  -4.589 -10.211
   32    H    GLN   5           HN       GLN   5  -0.845  -2.375  -8.393
   33    HA   GLN   5           HA       GLN   5  -3.067  -0.899  -8.485
   34   1HB   GLN   5           HB1      GLN   5  -2.659  -2.665  -6.756
   35   2HB   GLN   5           HB2      GLN   5  -1.439  -1.681  -6.001
   36   1HG   GLN   5           HG2      GLN   5  -3.475  -1.641  -4.664
   37   2HG   GLN   5           HG1      GLN   5  -3.155  -0.036  -5.273
   38   1HE2  GLN   5          HE21      GLN   5  -6.230   0.159  -6.952
   39   2HE2  GLN   5          HE22      GLN   5  -4.825   0.965  -6.429
   40    H    CYS   6           HN       CYS   6  -0.296   0.156  -6.668
   41    HA   CYS   6           HA       CYS   6  -1.298   2.946  -6.619
   42   1HB   CYS   6           HB1      CYS   6   0.875   1.732  -4.898
   43   2HB   CYS   6           HB2      CYS   6   0.127   3.283  -4.682
   44    H    CYS   7           HN       CYS   7   0.988   1.496  -8.643
   45    HA   CYS   7           HA       CYS   7   2.604   4.023  -8.594
   46   1HB   CYS   7           HB1      CYS   7   3.911   2.017  -8.240
   47   2HB   CYS   7           HB2      CYS   7   3.243   1.271  -9.634
   48    H    THR   8           HN       THR   8   0.381   2.002 -10.066
   49    HA   THR   8           HA       THR   8   0.432   3.422 -12.609
   50    HB   THR   8           HB       THR   8  -0.983   0.751 -11.954
   51    HG1  THR   8           HG1      THR   8   1.002   0.148 -11.749
   52   1HG2  THR   8          HG22      THR   8  -1.473   1.955 -14.238
   53   2HG2  THR   8          HG21      THR   8   0.250   1.847 -14.576
   54   3HG2  THR   8          HG23      THR   8  -0.712   0.386 -14.422
   55    H    SER   9           HN       SER   9  -0.388   4.903 -10.868
   56    HA   SER   9           HA       SER   9  -2.480   6.349 -11.007
   57   1HB   SER   9           HB1      SER   9  -4.074   4.330 -11.420
   58   2HB   SER   9           HB2      SER   9  -3.830   3.891  -9.721
   59    HG   SER   9           HG1      SER   9  -4.343   6.527 -10.040
   60    H    ILE  10           HN       ILE  10  -3.815   6.584  -8.595
   61    HA   ILE  10           HA       ILE  10  -1.542   6.855  -6.731
   62    HB   ILE  10           HB       ILE  10  -4.443   7.680  -6.258
   63   1HG1  ILE  10          HG12      ILE  10  -3.870   9.136  -8.042
   64   2HG1  ILE  10          HG11      ILE  10  -3.498  10.075  -6.603
   65   1HG2  ILE  10          HG22      ILE  10  -3.170   7.429  -4.190
   66   2HG2  ILE  10          HG21      ILE  10  -1.922   8.498  -4.811
   67   3HG2  ILE  10          HG23      ILE  10  -3.540   9.114  -4.507
   68   1HD1  ILE  10           HD2      ILE  10  -1.085   9.422  -6.788
   69   2HD1  ILE  10           HD1      ILE  10  -1.470   8.564  -8.280
   70   3HD1  ILE  10           HD3      ILE  10  -1.670  10.296  -8.198
   71    H    CYS  11           HN       CYS  11  -4.745   5.584  -6.601
   72    HA   CYS  11           HA       CYS  11  -5.564   3.460  -5.881
   73   1HB   CYS  11           HB1      CYS  11  -4.044   1.803  -4.954
   74   2HB   CYS  11           HB2      CYS  11  -3.046   2.859  -5.793
   75    H    SER  12           HN       SER  12  -6.313   2.742  -3.428
   76    HA   SER  12           HA       SER  12  -6.599   5.299  -1.872
   77   1HB   SER  12           HB1      SER  12  -8.917   4.801  -1.430
   78   2HB   SER  12           HB2      SER  12  -8.707   4.242  -3.080
   79    HG   SER  12           HG1      SER  12  -9.271   2.399  -2.340
   80    H    LEU  13           HN       LEU  13  -7.507   4.833   0.372
   81    HA   LEU  13           HA       LEU  13  -5.470   3.547   1.919
   82   1HB   LEU  13           HB1      LEU  13  -6.620   5.642   2.546
   83   2HB   LEU  13           HB2      LEU  13  -8.152   4.817   2.627
   84    HG   LEU  13           HG       LEU  13  -7.360   3.505   4.560
   85   1HD1  LEU  13          HD11      LEU  13  -4.840   5.228   4.335
   86   2HD1  LEU  13          HD13      LEU  13  -5.182   4.165   5.681
   87   3HD1  LEU  13          HD12      LEU  13  -4.890   3.488   4.094
   88   1HD2  LEU  13          HD22      LEU  13  -6.983   6.521   4.884
   89   2HD2  LEU  13          HD21      LEU  13  -8.512   5.667   4.977
   90   3HD2  LEU  13          HD23      LEU  13  -7.276   5.412   6.202
   91    OH   TYR  14           OH       TYR  14 -11.719  -5.012   2.000
   92    H    TYR  14           HN       TYR  14  -8.100   2.149   0.509
   93    HA   TYR  14           HA       TYR  14  -8.349  -0.001   2.559
   94   1HB   TYR  14           HB1      TYR  14 -10.505   1.052   1.740
   95   2HB   TYR  14           HB2      TYR  14 -10.083   0.596   0.110
   96    HD1  TYR  14           HD2      TYR  14 -10.492  -0.946   3.510
   97    HD2  TYR  14           HD1      TYR  14 -10.552  -1.565  -0.703
   98    HE1  TYR  14           HE2      TYR  14 -11.238  -3.260   3.853
   99    HE2  TYR  14           HE1      TYR  14 -11.303  -3.873  -0.349
  100    HH   TYR  14           HH       TYR  14 -11.622  -5.194   2.939
  101    H    GLN  15           HN       GLN  15  -8.008   0.911  -0.720
  102    HA   GLN  15           HA       GLN  15  -7.380  -1.629  -1.855
  103   1HB   GLN  15           HB1      GLN  15  -6.424   1.140  -2.691
  104   2HB   GLN  15           HB2      GLN  15  -6.320  -0.280  -3.697
  105   1HG   GLN  15           HG2      GLN  15  -9.017   0.528  -2.571
  106   2HG   GLN  15           HG1      GLN  15  -8.390   1.389  -3.961
  107   1HE2  GLN  15          HE21      GLN  15  -8.548  -2.400  -5.220
  108   2HE2  GLN  15          HE22      GLN  15  -7.293  -1.838  -4.230
  109    H    LEU  16           HN       LEU  16  -5.618   0.686  -0.011
  110    HA   LEU  16           HA       LEU  16  -3.045  -0.731  -0.364
  111   1HB   LEU  16           HB1      LEU  16  -3.195   1.815  -0.508
  112   2HB   LEU  16           HB2      LEU  16  -3.632   1.817   1.185
  113    HG   LEU  16           HG       LEU  16  -1.484   1.024   1.893
  114   1HD1  LEU  16          HD11      LEU  16  -0.855   0.457  -1.051
  115   2HD1  LEU  16          HD13      LEU  16   0.284   0.273   0.274
  116   3HD1  LEU  16          HD12      LEU  16  -1.110  -0.766   0.186
  117   1HD2  LEU  16          HD22      LEU  16  -1.044   2.935  -0.422
  118   2HD2  LEU  16          HD21      LEU  16  -1.494   3.381   1.224
  119   3HD2  LEU  16          HD23      LEU  16   0.063   2.639   0.902
  120    H    GLU  17           HN       GLU  17  -5.572  -1.310   1.291
  121    HA   GLU  17           HA       GLU  17  -4.319  -1.870   3.941
  122   1HB   GLU  17           HB1      GLU  17  -6.671  -0.807   3.644
  123   2HB   GLU  17           HB2      GLU  17  -7.202  -2.380   3.105
  124   1HG   GLU  17           HG2      GLU  17  -6.011  -1.716   5.806
  125   2HG   GLU  17           HG1      GLU  17  -7.660  -2.149   5.461
  126    H    ASN  18           HN       ASN  18  -5.958  -3.120   1.226
  127    HA   ASN  18           HA       ASN  18  -5.962  -5.907   1.681
  128   1HB   ASN  18           HB1      ASN  18  -6.252  -4.197  -0.786
  129   2HB   ASN  18           HB2      ASN  18  -6.461  -5.944  -0.856
  130   1HD2  ASN  18          HD21      ASN  18  -9.287  -4.771   1.699
  131   2HD2  ASN  18          HD22      ASN  18  -7.676  -4.865   2.216
  132    OH   TYR  19           OH       TYR  19  -1.056  -2.335  -3.462
  133    H    TYR  19           HN       TYR  19  -3.709  -5.532   2.305
  134    HA   TYR  19           HA       TYR  19  -1.847  -6.938   0.448
  135   1HB   TYR  19           HB1      TYR  19  -1.230  -4.534   2.274
  136   2HB   TYR  19           HB2      TYR  19   0.023  -5.604   1.639
  137    HD1  TYR  19           HD1      TYR  19  -2.732  -3.289   0.569
  138    HD2  TYR  19           HD2      TYR  19   0.812  -5.361  -0.639
  139    HE1  TYR  19           HE1      TYR  19  -2.712  -2.122  -1.570
  140    HE2  TYR  19           HE2      TYR  19   0.752  -4.127  -2.784
  141    HH   TYR  19           HH       TYR  19  -0.193  -2.350  -3.873
  142    H    CYS  20           HN       CYS  20  -3.001  -5.967   3.631
  143    HA   CYS  20           HA       CYS  20  -2.225  -8.616   4.801
  144   1HB   CYS  20           HB1      CYS  20  -1.918  -7.606   6.881
  145   2HB   CYS  20           HB2      CYS  20  -1.127  -6.554   5.745
  146    H    ASN  21           HN       ASN  21  -3.796  -8.503   6.980
  147    HA   ASN  21           HA       ASN  21  -6.058  -7.943   7.793
  148   1HB   ASN  21           HB1      ASN  21  -6.835  -7.018   5.529
  149   2HB   ASN  21           HB2      ASN  21  -7.019  -8.675   4.976
  150   1HD2  ASN  21          HD21      ASN  21  -9.584  -7.002   7.684
  151   2HD2  ASN  21          HD22      ASN  21  -8.081  -6.292   7.358
  152   1H    PHE   1           HT1      PHE  22  -1.159   9.949   5.566
  153   2H    PHE   1           HT3      PHE  22  -2.740   9.479   6.002
  154   3H    PHE   1           HT2      PHE  22  -1.483   8.345   6.020
  155    HA   PHE   1           HA       PHE  22  -1.842   7.811   3.949
  156   1HB   PHE   1           HB1      PHE  22  -4.264   8.580   4.620
  157   2HB   PHE   1           HB2      PHE  22  -3.890  10.071   3.769
  158    HD1  PHE   1           HD2      PHE  22  -3.531   6.386   3.083
  159    HD2  PHE   1           HD1      PHE  22  -4.723  10.197   1.594
  160    HE1  PHE   1           HE2      PHE  22  -4.197   5.356   0.956
  161    HE2  PHE   1           HE1      PHE  22  -5.389   9.155  -0.524
  162    HZ   PHE   1           HZ       PHE  22  -5.123   6.739  -0.847
  163    H    VAL   2           HN       VAL  23  -1.751   8.487   1.733
  164    HA   VAL   2           HA       VAL  23  -0.484  11.098   1.138
  165    HB   VAL   2           HB       VAL  23   0.680   8.415   0.292
  166   1HG1  VAL   2          HG11      VAL  23   1.765  11.189  -0.206
  167   2HG1  VAL   2          HG13      VAL  23   2.612   9.691  -0.547
  168   3HG1  VAL   2          HG12      VAL  23   1.132  10.052  -1.394
  169   1HG2  VAL   2          HG21      VAL  23   1.172   8.939   2.763
  170   2HG2  VAL   2          HG23      VAL  23   2.644   9.017   1.818
  171   3HG2  VAL   2          HG22      VAL  23   1.819  10.495   2.259
  172    H    ASN   3           HN       ASN  24  -0.469  11.394  -1.149
  173    HA   ASN   3           HA       ASN  24  -2.501   9.808  -2.687
  174   1HB   ASN   3           HB1      ASN  24  -2.404  12.871  -2.477
  175   2HB   ASN   3           HB2      ASN  24  -3.536  11.959  -3.459
  176   1HD2  ASN   3          HD21      ASN  24  -5.717  11.362  -0.749
  177   2HD2  ASN   3          HD22      ASN  24  -5.441  11.265  -2.421
  178    H    GLN   4           HN       GLN  25  -0.125   9.158  -3.121
  179    HA   GLN   4           HA       GLN  25   0.743  10.440  -5.640
  180   1HB   GLN   4           HB1      GLN  25   1.980  11.298  -3.554
  181   2HB   GLN   4           HB2      GLN  25   2.566   9.670  -3.338
  182   1HG   GLN   4           HG2      GLN  25   3.770   9.821  -5.553
  183   2HG   GLN   4           HG1      GLN  25   3.255  11.501  -5.655
  184   1HE2  GLN   4          HE21      GLN  25   6.369  10.405  -3.364
  185   2HE2  GLN   4          HE22      GLN  25   5.558   9.318  -4.388
  186    H    HIS   5           HN       HIS  26   2.744   8.853  -6.347
  187    HA   HIS   5           HA       HIS  26   1.568   6.146  -6.511
  188   1HB   HIS   5           HB1      HIS  26   3.947   7.374  -8.037
  189   2HB   HIS   5           HB2      HIS  26   3.138   5.867  -8.450
  190    HD1  HIS   5           HD1      HIS  26   0.905   5.983  -9.551
  191    HD2  HIS   5           HD2      HIS  26   2.456   9.686  -8.856
  192    HE1  HIS   5           HE1      HIS  26  -0.465   7.568 -10.863
  193    H    LEU   6           HN       LEU  27   2.707   4.395  -5.684
  194    HA   LEU   6           HA       LEU  27   5.070   5.010  -3.989
  195   1HB   LEU   6           HB1      LEU  27   2.813   2.973  -3.638
  196   2HB   LEU   6           HB2      LEU  27   4.235   2.930  -2.624
  197    HG   LEU   6           HG       LEU  27   2.593   5.471  -2.749
  198   1HD1  LEU   6          HD12      LEU  27   1.017   3.583  -2.213
  199   2HD1  LEU   6          HD11      LEU  27   2.094   3.071  -0.921
  200   3HD1  LEU   6          HD13      LEU  27   1.270   4.612  -0.823
  201   1HD2  LEU   6          HD22      LEU  27   4.234   4.122  -0.536
  202   2HD2  LEU   6          HD21      LEU  27   4.798   5.452  -1.522
  203   3HD2  LEU   6          HD23      LEU  27   3.451   5.690  -0.426
  204    H    CYS   7           HN       CYS  28   4.958   4.029  -6.655
  205    HA   CYS   7           HA       CYS  28   5.706   1.757  -7.633
  206   1HB   CYS   7           HB1      CYS  28   7.615   4.081  -7.604
  207   2HB   CYS   7           HB2      CYS  28   7.620   2.773  -8.778
  208    H    GLY   8           HN       GLY  29   5.930   0.319  -5.925
  209   1HA   GLY   8           HA1      GLY  29   7.042  -1.008  -4.362
  210   2HA   GLY   8           HA2      GLY  29   7.917  -1.364  -5.807
  211    H    SER   9           HN       SER  30   8.002  -0.341  -2.802
  212    HA   SER   9           HA       SER  30  10.017  -0.639  -1.484
  213   1HB   SER   9           HB1      SER  30  12.021   0.929  -2.017
  214   2HB   SER   9           HB2      SER  30  11.702  -0.018  -3.471
  215    HG   SER   9           HG1      SER  30  11.376   1.859  -4.355
  216    H    HIS  10           HN       HIS  31   8.260   1.902  -2.879
  217    HA   HIS  10           HA       HIS  31   8.521   3.553  -0.381
  218   1HB   HIS  10           HB1      HIS  31   6.887   4.023  -2.918
  219   2HB   HIS  10           HB2      HIS  31   6.849   4.917  -1.382
  220    HD1  HIS  10           HD1      HIS  31  10.062   3.693  -2.969
  221    HD2  HIS  10           HD2      HIS  31   8.113   7.247  -2.468
  222    HE1  HIS  10           HE1      HIS  31  11.633   5.428  -3.630
  223    H    LEU  11           HN       LEU  32   6.413   1.539  -2.315
  224    HA   LEU  11           HA       LEU  32   3.991   1.713  -0.948
  225   1HB   LEU  11           HB1      LEU  32   5.456  -0.363  -2.443
  226   2HB   LEU  11           HB2      LEU  32   4.265  -1.076  -1.362
  227    HG   LEU  11           HG       LEU  32   3.860   0.982  -3.504
  228   1HD1  LEU  11          HD12      LEU  32   4.291  -1.332  -4.281
  229   2HD1  LEU  11          HD11      LEU  32   3.008  -1.935  -3.245
  230   3HD1  LEU  11          HD13      LEU  32   2.626  -0.865  -4.593
  231   1HD2  LEU  11          HD21      LEU  32   2.188   1.241  -1.554
  232   2HD2  LEU  11          HD23      LEU  32   1.408   0.688  -3.007
  233   3HD2  LEU  11          HD22      LEU  32   1.779  -0.448  -1.719
  234    H    VAL  12           HN       VAL  33   6.673  -0.300  -0.413
  235    HA   VAL  12           HA       VAL  33   6.098  -1.685   1.871
  236    HB   VAL  12           HB       VAL  33   8.746  -0.531   0.885
  237   1HG1  VAL  12          HG11      VAL  33   8.386  -2.760   2.920
  238   2HG1  VAL  12          HG13      VAL  33   9.913  -2.286   2.188
  239   3HG1  VAL  12          HG12      VAL  33   9.075  -1.173   3.246
  240   1HG2  VAL  12          HG21      VAL  33   7.645  -2.063  -0.711
  241   2HG2  VAL  12          HG23      VAL  33   9.114  -2.781  -0.064
  242   3HG2  VAL  12          HG22      VAL  33   7.539  -3.299   0.532
  243    H    GLU  13           HN       GLU  34   6.390   1.783   1.792
  244    HA   GLU  13           HA       GLU  34   7.118   1.827   4.655
  245   1HB   GLU  13           HB1      GLU  34   8.345   3.276   2.869
  246   2HB   GLU  13           HB2      GLU  34   6.844   4.151   2.698
  247   1HG   GLU  13           HG2      GLU  34   8.538   3.914   5.232
  248   2HG   GLU  13           HG1      GLU  34   8.307   5.350   4.266
  249    H    ALA  14           HN       ALA  35   4.952   2.735   2.117
  250    HA   ALA  14           HA       ALA  35   2.990   3.746   3.952
  251   1HB   ALA  14           HB1      ALA  35   2.803   2.999   0.969
  252   2HB   ALA  14           HB3      ALA  35   1.561   3.953   1.803
  253   3HB   ALA  14           HB2      ALA  35   3.157   4.628   1.546
  254    H    LEU  15           HN       LEU  36   4.073   0.798   3.094
  255    HA   LEU  15           HA       LEU  36   1.542  -0.633   3.527
  256   1HB   LEU  15           HB1      LEU  36   2.951  -1.089   1.556
  257   2HB   LEU  15           HB2      LEU  36   4.327  -1.330   2.604
  258    HG   LEU  15           HG       LEU  36   3.522  -3.305   3.512
  259   1HD1  LEU  15          HD11      LEU  36   0.972  -2.920   1.798
  260   2HD1  LEU  15          HD13      LEU  36   1.321  -4.341   2.770
  261   3HD1  LEU  15          HD12      LEU  36   1.010  -2.800   3.540
  262   1HD2  LEU  15          HD22      LEU  36   3.194  -3.311   0.495
  263   2HD2  LEU  15          HD21      LEU  36   4.687  -3.503   1.398
  264   3HD2  LEU  15          HD23      LEU  36   3.459  -4.748   1.477
  265    OH   TYR  16           OH       TYR  37   7.520   1.473  12.091
  266    H    TYR  16           HN       TYR  37   4.721  -0.026   4.727
  267    HA   TYR  16           HA       TYR  37   4.759  -1.824   6.974
  268   1HB   TYR  16           HB1      TYR  37   6.891  -0.908   6.474
  269   2HB   TYR  16           HB2      TYR  37   6.233   0.694   6.183
  270    HD1  TYR  16           HD1      TYR  37   7.142  -1.711   8.881
  271    HD2  TYR  16           HD2      TYR  37   6.031   2.281   7.911
  272    HE1  TYR  16           HE1      TYR  37   7.714  -0.978  11.168
  273    HE2  TYR  16           HE2      TYR  37   6.604   3.006  10.167
  274    HH   TYR  16           HH       TYR  37   7.338   2.413  12.159
  275    H    LEU  17           HN       LEU  38   3.916   1.534   6.591
  276    HA   LEU  17           HA       LEU  38   3.063   2.004   9.267
  277   1HB   LEU  17           HB1      LEU  38   3.868   3.746   7.667
  278   2HB   LEU  17           HB2      LEU  38   2.426   3.429   6.686
  279    HG   LEU  17           HG       LEU  38   0.955   4.358   8.368
  280   1HD1  LEU  17          HD11      LEU  38   3.381   4.604  10.219
  281   2HD1  LEU  17          HD13      LEU  38   1.770   5.203  10.568
  282   3HD1  LEU  17          HD12      LEU  38   2.051   3.475  10.450
  283   1HD2  LEU  17          HD22      LEU  38   3.436   6.095   8.147
  284   2HD2  LEU  17          HD21      LEU  38   2.131   6.009   6.966
  285   3HD2  LEU  17          HD23      LEU  38   1.833   6.670   8.562
  286    H    VAL  18           HN       VAL  39   1.463   0.445   6.661
  287    HA   VAL  18           HA       VAL  39  -1.144   1.130   7.870
  288    HB   VAL  18           HB       VAL  39  -0.568   1.322   5.366
  289   1HG1  VAL  18          HG12      VAL  39   0.248  -0.947   4.986
  290   2HG1  VAL  18          HG11      VAL  39  -1.347  -1.599   5.289
  291   3HG1  VAL  18          HG13      VAL  39  -1.066  -0.540   3.924
  292   1HG2  VAL  18          HG22      VAL  39  -3.156  -0.005   6.319
  293   2HG2  VAL  18          HG21      VAL  39  -2.835   1.720   6.304
  294   3HG2  VAL  18          HG23      VAL  39  -2.987   0.848   4.787
  295    H    CYS  19           HN       CYS  40   0.657  -1.595   6.787
  296    HA   CYS  19           HA       CYS  40  -1.007  -3.475   8.385
  297   1HB   CYS  19           HB1      CYS  40   0.154  -3.733   5.623
  298   2HB   CYS  19           HB2      CYS  40  -0.280  -5.085   6.615
  299    H    GLY  20           HN       GLY  41   1.783  -2.014   8.663
  300   1HA   GLY  20           HA1      GLY  41   3.850  -3.850   8.658
  301   2HA   GLY  20           HA2      GLY  41   3.704  -2.543   9.802
  302    H    GLU  21           HN       GLU  42   2.006  -3.050  11.462
  303    HA   GLU  21           HA       GLU  42   2.940  -4.957  13.289
  304   1HB   GLU  21           HB1      GLU  42   0.947  -4.434  14.629
  305   2HB   GLU  21           HB2      GLU  42   1.620  -2.990  13.924
  306   1HG   GLU  21           HG2      GLU  42  -0.851  -4.451  12.862
  307   2HG   GLU  21           HG1      GLU  42  -0.856  -2.954  13.778
  308    NH1  ARG  22           NH2      ARG  43  -1.134 -11.726   9.314
  309    NH2  ARG  22           NH1      ARG  43  -3.156 -12.769   9.294
  310    H    ARG  22           HN       ARG  43   0.651  -5.432  10.815
  311    HA   ARG  22           HA       ARG  43  -0.103  -8.147  11.840
  312   1HB   ARG  22           HB1      ARG  43  -2.065  -6.764  11.321
  313   2HB   ARG  22           HB2      ARG  43  -1.374  -6.282   9.789
  314   1HG   ARG  22           HG2      ARG  43  -3.190  -7.890   9.422
  315   2HG   ARG  22           HG1      ARG  43  -1.682  -8.531   8.844
  316   1HD   ARG  22           HD2      ARG  43  -1.504  -9.882  11.007
  317   2HD   ARG  22           HD1      ARG  43  -3.110  -9.300  11.431
  318    HE   ARG  22           HE       ARG  43  -3.930 -10.436   9.331
  319   1HH1  ARG  22          HH22      ARG  43  -0.597 -10.891   9.421
  320   2HH1  ARG  22          HH21      ARG  43  -0.680 -12.593   9.111
  321   1HH2  ARG  22          HH12      ARG  43  -4.150 -12.726   9.383
  322   2HH2  ARG  22          HH11      ARG  43  -2.711 -13.639   9.092
  323    H    GLY  23           HN       GLY  44   1.838  -6.509   9.693
  324   1HA   GLY  23           HA1      GLY  44   3.399  -7.275   8.122
  325   2HA   GLY  23           HA2      GLY  44   2.860  -8.950   8.432
  326    H    PHE  24           HN       PHE  45   3.057  -8.426   5.769
  327    HA   PHE  24           HA       PHE  45   0.202  -8.080   4.969
  328   1HB   PHE  24           HB1      PHE  45   1.485  -6.873   2.837
  329   2HB   PHE  24           HB2      PHE  45   0.680  -6.029   4.137
  330    HD1  PHE  24           HD2      PHE  45   4.031  -7.016   2.819
  331    HD2  PHE  24           HD1      PHE  45   1.939  -4.914   5.895
  332    HE1  PHE  24           HE2      PHE  45   6.104  -5.955   3.526
  333    HE2  PHE  24           HE1      PHE  45   4.008  -3.848   6.575
  334    HZ   PHE  24           HZ       PHE  45   6.110  -4.360   5.399
  335    H    PHE  25           HN       PHE  46   3.212  -8.582   3.273
  336    HA   PHE  25           HA       PHE  46   2.053 -10.993   1.937
  337   1HB   PHE  25           HB1      PHE  46   3.018  -8.512   0.914
  338   2HB   PHE  25           HB2      PHE  46   4.227  -9.687   0.477
  339    HD1  PHE  25           HD2      PHE  46   0.643  -8.784   0.118
  340    HD2  PHE  25           HD1      PHE  46   3.782 -11.361  -1.178
  341    HE1  PHE  25           HE2      PHE  46  -0.739  -9.526  -1.767
  342    HE2  PHE  25           HE1      PHE  46   2.406 -12.100  -3.056
  343    HZ   PHE  25           HZ       PHE  46   0.119 -11.172  -3.350
   
 Raw file had 343 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1  -6.903  -4.378   8.642
    2   2H    GLY   1           HT3      GLY   1  -6.454  -2.976   9.491
    3   3H    GLY   1           HT2      GLY   1  -8.082  -3.442   9.425
    4   1HA   GLY   1           HA1      GLY   1  -8.375  -2.222   7.624
    5   2HA   GLY   1           HA2      GLY   1  -6.671  -1.757   7.685
    6    H    ILE   2           HN       ILE   2  -6.394  -1.834   5.441
    7    HA   ILE   2           HA       ILE   2  -6.893  -4.408   4.014
    8    HB   ILE   2           HB       ILE   2  -5.824  -1.736   2.957
    9   1HG1  ILE   2          HG12      ILE   2  -8.089  -1.379   3.851
   10   2HG1  ILE   2          HG11      ILE   2  -8.126  -1.316   2.110
   11   1HG2  ILE   2          HG21      ILE   2  -7.013  -4.134   1.473
   12   2HG2  ILE   2          HG23      ILE   2  -6.516  -2.616   0.732
   13   3HG2  ILE   2          HG22      ILE   2  -5.333  -3.683   1.468
   14   1HD1  ILE   2           HD2      ILE   2  -9.014  -3.659   2.026
   15   2HD1  ILE   2           HD1      ILE   2  -8.976  -3.720   3.786
   16   3HD1  ILE   2           HD3      ILE   2 -10.051  -2.609   2.967
   17    H    VAL   3           HN       VAL   3  -5.372  -5.010   5.747
   18    HA   VAL   3           HA       VAL   3  -2.503  -4.790   5.007
   19    HB   VAL   3           HB       VAL   3  -3.191  -4.075   7.297
   20   1HG1  VAL   3          HG12      VAL   3  -5.170  -5.530   7.571
   21   2HG1  VAL   3          HG11      VAL   3  -4.123  -6.940   7.648
   22   3HG1  VAL   3          HG13      VAL   3  -4.053  -5.719   8.910
   23   1HG2  VAL   3          HG21      VAL   3  -0.962  -5.111   6.968
   24   2HG2  VAL   3          HG23      VAL   3  -1.596  -5.452   8.572
   25   3HG2  VAL   3          HG22      VAL   3  -1.625  -6.693   7.317
   26    H    GLU   4           HN       GLU   4  -5.216  -6.829   5.338
   27    HA   GLU   4           HA       GLU   4  -3.789  -9.355   5.127
   28   1HB   GLU   4           HB1      GLU   4  -6.177 -10.293   5.086
   29   2HB   GLU   4           HB2      GLU   4  -5.976  -9.137   6.391
   30   1HG   GLU   4           HG2      GLU   4  -6.887  -7.325   4.762
   31   2HG   GLU   4           HG1      GLU   4  -7.325  -8.645   3.694
   32    H    GLN   5           HN       GLN   5  -3.895  -7.143   3.041
   33    HA   GLN   5           HA       GLN   5  -4.471  -8.824   0.680
   34   1HB   GLN   5           HB1      GLN   5  -5.832  -6.686   1.147
   35   2HB   GLN   5           HB2      GLN   5  -4.343  -5.773   0.905
   36   1HG   GLN   5           HG2      GLN   5  -5.455  -7.625  -1.229
   37   2HG   GLN   5           HG1      GLN   5  -5.930  -5.939  -1.086
   38   1HE2  GLN   5          HE21      GLN   5  -2.497  -6.812  -2.910
   39   2HE2  GLN   5          HE22      GLN   5  -3.666  -7.984  -2.521
   40    H    CYS   6           HN       CYS   6  -2.210  -6.599   2.133
   41    HA   CYS   6           HA       CYS   6  -0.197  -7.423   0.227
   42   1HB   CYS   6           HB1      CYS   6  -0.384  -4.845   1.878
   43   2HB   CYS   6           HB2      CYS   6   1.014  -5.231   0.879
   44    H    CYS   7           HN       CYS   7  -0.329  -7.827   3.724
   45    HA   CYS   7           HA       CYS   7   2.584  -8.415   3.446
   46   1HB   CYS   7           HB1      CYS   7   2.167  -6.596   4.928
   47   2HB   CYS   7           HB2      CYS   7   0.922  -7.517   5.784
   48    H    THR   8           HN       THR   8  -0.249  -9.637   3.320
   49    HA   THR   8           HA       THR   8   0.381 -12.077   4.819
   50    HB   THR   8           HB       THR   8  -2.342 -11.019   3.734
   51    HG1  THR   8           HG1      THR   8  -2.014  -9.848   5.464
   52   1HG2  THR   8          HG21      THR   8  -1.709 -13.202   5.812
   53   2HG2  THR   8          HG23      THR   8  -3.315 -12.730   5.250
   54   3HG2  THR   8          HG22      THR   8  -2.217 -13.587   4.181
   55    H    SER   9           HN       SER   9   1.815 -11.565   2.767
   56    HA   SER   9           HA       SER   9   2.562 -13.282   1.069
   57   1HB   SER   9           HB1      SER   9  -0.251 -12.623  -0.065
   58   2HB   SER   9           HB2      SER   9   0.981 -13.412  -1.042
   59    HG   SER   9           HG1      SER   9   0.334 -15.160  -0.125
   60    H    ILE  10           HN       ILE  10   2.312 -12.118  -1.603
   61    HA   ILE  10           HA       ILE  10   3.325  -9.393  -0.963
   62    HB   ILE  10           HB       ILE  10   3.675 -10.861  -3.604
   63   1HG1  ILE  10          HG12      ILE  10   4.576 -12.385  -1.826
   64   2HG1  ILE  10          HG11      ILE  10   5.869 -11.722  -2.801
   65   1HG2  ILE  10          HG21      ILE  10   5.269  -8.721  -2.178
   66   2HG2  ILE  10          HG23      ILE  10   5.682  -9.365  -3.752
   67   3HG2  ILE  10          HG22      ILE  10   4.217  -8.429  -3.541
   68   1HD1  ILE  10           HD1      ILE  10   5.026 -10.683  -0.076
   69   2HD1  ILE  10           HD3      ILE  10   6.421 -11.708  -0.389
   70   3HD1  ILE  10           HD2      ILE  10   6.382 -10.072  -0.995
   71    H    CYS  11           HN       CYS  11   2.706  -7.784  -2.152
   72    HA   CYS  11           HA       CYS  11   0.167  -7.993  -3.741
   73   1HB   CYS  11           HB1      CYS  11  -0.883  -6.693  -2.061
   74   2HB   CYS  11           HB2      CYS  11   0.596  -6.898  -1.252
   75    H    SER  12           HN       SER  12  -0.203  -5.711  -4.801
   76    HA   SER  12           HA       SER  12   2.336  -5.013  -6.231
   77   1HB   SER  12           HB1      SER  12   1.016  -4.683  -8.249
   78   2HB   SER  12           HB2      SER  12   0.505  -6.209  -7.552
   79    HG   SER  12           HG1      SER  12  -0.877  -4.183  -6.418
   80    H    LEU  13           HN       LEU  13   1.667  -3.030  -7.677
   81    HA   LEU  13           HA       LEU  13   1.441  -0.677  -5.885
   82   1HB   LEU  13           HB1      LEU  13   3.528  -0.927  -7.001
   83   2HB   LEU  13           HB2      LEU  13   2.766  -1.283  -8.525
   84    HG   LEU  13           HG       LEU  13   1.965   1.003  -8.742
   85   1HD1  LEU  13          HD11      LEU  13   3.421   1.516  -6.104
   86   2HD1  LEU  13          HD13      LEU  13   2.678   2.766  -7.113
   87   3HD1  LEU  13          HD12      LEU  13   1.678   1.569  -6.326
   88   1HD2  LEU  13          HD22      LEU  13   4.924   0.862  -8.077
   89   2HD2  LEU  13          HD21      LEU  13   4.192   0.477  -9.621
   90   3HD2  LEU  13          HD23      LEU  13   4.158   2.132  -9.023
   91    OH   TYR  14           OH       TYR  14  -7.322  -1.287 -12.123
   92    H    TYR  14           HN       TYR  14  -0.516  -2.406  -7.606
   93    HA   TYR  14           HA       TYR  14  -2.118  -0.235  -8.904
   94   1HB   TYR  14           HB1      TYR  14  -1.554  -2.406 -10.265
   95   2HB   TYR  14           HB2      TYR  14  -2.414  -3.299  -9.027
   96    HD1  TYR  14           HD2      TYR  14  -3.172  -0.094 -10.825
   97    HD2  TYR  14           HD1      TYR  14  -4.493  -4.010  -9.823
   98    HE1  TYR  14           HE2      TYR  14  -5.310   0.358 -11.915
   99    HE2  TYR  14           HE1      TYR  14  -6.639  -3.567 -10.926
  100    HH   TYR  14           HH       TYR  14  -7.992  -1.909 -11.829
  101    H    GLN  15           HN       GLN  15  -2.276  -3.140  -6.957
  102    HA   GLN  15           HA       GLN  15  -4.837  -2.660  -5.778
  103   1HB   GLN  15           HB1      GLN  15  -2.391  -4.125  -4.634
  104   2HB   GLN  15           HB2      GLN  15  -4.017  -4.241  -3.964
  105   1HG   GLN  15           HG2      GLN  15  -4.837  -5.281  -6.034
  106   2HG   GLN  15           HG1      GLN  15  -3.282  -5.049  -6.820
  107   1HE2  GLN  15          HE21      GLN  15  -3.841  -8.357  -4.728
  108   2HE2  GLN  15          HE22      GLN  15  -5.078  -7.361  -5.331
  109    H    LEU  16           HN       LEU  16  -1.638  -1.665  -5.065
  110    HA   LEU  16           HA       LEU  16  -1.981  -0.428  -2.571
  111   1HB   LEU  16           HB1      LEU  16   0.214  -0.896  -3.686
  112   2HB   LEU  16           HB2      LEU  16  -0.170   0.294  -4.913
  113    HG   LEU  16           HG       LEU  16   0.101   2.133  -3.377
  114   1HD1  LEU  16          HD11      LEU  16   0.447   0.019  -1.192
  115   2HD1  LEU  16          HD13      LEU  16   0.628   1.743  -0.959
  116   3HD1  LEU  16          HD12      LEU  16  -0.940   1.095  -1.335
  117   1HD2  LEU  16          HD21      LEU  16   2.185   1.063  -4.313
  118   2HD2  LEU  16          HD23      LEU  16   2.498   1.751  -2.741
  119   3HD2  LEU  16          HD22      LEU  16   2.264   0.023  -2.912
  120    H    GLU  17           HN       GLU  17  -2.343   0.874  -5.729
  121    HA   GLU  17           HA       GLU  17  -2.842   3.576  -5.205
  122   1HB   GLU  17           HB1      GLU  17  -4.269   1.881  -7.226
  123   2HB   GLU  17           HB2      GLU  17  -4.188   3.629  -7.233
  124   1HG   GLU  17           HG2      GLU  17  -1.665   3.335  -7.279
  125   2HG   GLU  17           HG1      GLU  17  -1.999   1.609  -7.416
  126    H    ASN  18           HN       ASN  18  -5.141   0.978  -5.224
  127    HA   ASN  18           HA       ASN  18  -7.342   2.784  -4.449
  128   1HB   ASN  18           HB1      ASN  18  -8.706   0.584  -4.526
  129   2HB   ASN  18           HB2      ASN  18  -7.966   1.138  -6.021
  130   1HD2  ASN  18          HD21      ASN  18  -6.459  -2.222  -4.226
  131   2HD2  ASN  18          HD22      ASN  18  -7.407  -1.162  -3.299
  132    OH   TYR  19           OH       TYR  19  -3.031  -3.325   0.759
  133    H    TYR  19           HN       TYR  19  -5.415   2.790  -2.551
  134    HA   TYR  19           HA       TYR  19  -6.511   1.125  -0.308
  135   1HB   TYR  19           HB1      TYR  19  -3.913   2.562  -0.766
  136   2HB   TYR  19           HB2      TYR  19  -4.515   2.590   0.882
  137    HD1  TYR  19           HD1      TYR  19  -4.381   0.077  -1.898
  138    HD2  TYR  19           HD2      TYR  19  -3.816   0.848   2.242
  139    HE1  TYR  19           HE1      TYR  19  -3.729  -2.264  -1.553
  140    HE2  TYR  19           HE2      TYR  19  -3.174  -1.467   2.590
  141    HH   TYR  19           HH       TYR  19  -3.237  -3.494   1.676
  142    H    CYS  20           HN       CYS  20  -5.350   4.520  -0.199
  143    HA   CYS  20           HA       CYS  20  -7.017   5.352   1.848
  144   1HB   CYS  20           HB1      CYS  20  -6.783   7.659   0.765
  145   2HB   CYS  20           HB2      CYS  20  -5.338   6.787   1.173
  146    H    ASN  21           HN       ASN  21  -7.836   6.264  -1.515
  147    HA   ASN  21           HA       ASN  21 -10.737   5.905  -0.827
  148   1HB   ASN  21           HB1      ASN  21  -9.995   8.344  -1.082
  149   2HB   ASN  21           HB2      ASN  21  -9.591   7.977  -2.748
  150   1HD2  ASN  21          HD21      ASN  21 -13.421   8.701  -1.792
  151   2HD2  ASN  21          HD22      ASN  21 -12.155   8.948  -0.695
  152   1H    PHE   1           HT1      PHE  22  11.262  -5.605  -9.350
  153   2H    PHE   1           HT3      PHE  22  10.214  -4.334  -9.722
  154   3H    PHE   1           HT2      PHE  22  11.570  -4.046  -8.738
  155    HA   PHE   1           HA       PHE  22  10.403  -4.474  -6.947
  156   1HB   PHE   1           HB1      PHE  22   8.442  -3.595  -7.668
  157   2HB   PHE   1           HB2      PHE  22   8.450  -4.514  -9.148
  158    HD1  PHE   1           HD1      PHE  22   8.001  -5.381  -5.469
  159    HD2  PHE   1           HD2      PHE  22   6.595  -5.728  -9.489
  160    HE1  PHE   1           HE1      PHE  22   6.110  -6.773  -4.712
  161    HE2  PHE   1           HE2      PHE  22   4.732  -7.093  -8.730
  162    HZ   PHE   1           HZ       PHE  22   4.474  -7.622  -6.332
  163    H    VAL   2           HN       VAL  23  10.800  -6.019  -5.691
  164    HA   VAL   2           HA       VAL  23  10.493  -8.893  -6.425
  165    HB   VAL   2           HB       VAL  23  12.570  -7.852  -4.461
  166   1HG1  VAL   2          HG12      VAL  23  12.281 -10.285  -4.580
  167   2HG1  VAL   2          HG11      VAL  23  12.639 -10.251  -6.309
  168   3HG1  VAL   2          HG13      VAL  23  13.865  -9.800  -5.150
  169   1HG2  VAL   2          HG22      VAL  23  13.043  -7.887  -7.460
  170   2HG2  VAL   2          HG21      VAL  23  13.009  -6.470  -6.420
  171   3HG2  VAL   2          HG23      VAL  23  14.280  -7.670  -6.233
  172    H    ASN   3           HN       ASN  24  10.190 -10.197  -4.544
  173    HA   ASN   3           HA       ASN  24   8.077 -10.240  -3.054
  174   1HB   ASN   3           HB1      ASN  24  10.856 -10.710  -1.942
  175   2HB   ASN   3           HB2      ASN  24   9.447 -11.008  -0.940
  176   1HD2  ASN   3          HD21      ASN  24  10.556 -13.872  -3.415
  177   2HD2  ASN   3          HD22      ASN  24  11.554 -12.593  -2.897
  178    H    GLN   4           HN       GLN  25   6.945  -8.441  -2.543
  179    HA   GLN   4           HA       GLN  25   7.993  -6.827  -0.287
  180   1HB   GLN   4           HB1      GLN  25   8.111  -5.578  -2.388
  181   2HB   GLN   4           HB2      GLN  25   6.396  -5.876  -2.672
  182   1HG   GLN   4           HG2      GLN  25   6.852  -3.583  -1.821
  183   2HG   GLN   4           HG1      GLN  25   5.772  -4.473  -0.762
  184   1HE2  GLN   4          HE21      GLN  25   7.948  -4.163   1.985
  185   2HE2  GLN   4          HE22      GLN  25   6.393  -4.514   1.398
  186    H    HIS   5           HN       HIS  26   7.006  -6.905   1.484
  187    HA   HIS   5           HA       HIS  26   4.066  -7.435   1.658
  188   1HB   HIS   5           HB1      HIS  26   6.112  -7.714   3.917
  189   2HB   HIS   5           HB2      HIS  26   4.420  -8.193   3.957
  190    HD1  HIS   5           HD1      HIS  26   3.803 -10.185   2.332
  191    HD2  HIS   5           HD2      HIS  26   7.760  -9.800   3.253
  192    HE1  HIS   5           HE1      HIS  26   4.826 -12.364   1.844
  193    H    LEU   6           HN       LEU  27   2.755  -5.868   2.563
  194    HA   LEU   6           HA       LEU  27   4.072  -3.514   3.882
  195   1HB   LEU   6           HB1      LEU  27   1.424  -3.446   2.379
  196   2HB   LEU   6           HB2      LEU  27   2.275  -2.109   3.151
  197    HG   LEU   6           HG       LEU  27   3.388  -3.615   0.765
  198   1HD1  LEU   6          HD12      LEU  27   1.244  -2.413   0.249
  199   2HD1  LEU   6          HD11      LEU  27   1.908  -0.924   0.896
  200   3HD1  LEU   6          HD13      LEU  27   2.614  -1.651  -0.538
  201   1HD2  LEU   6          HD21      LEU  27   5.021  -2.346   2.190
  202   2HD2  LEU   6          HD23      LEU  27   4.827  -1.613   0.617
  203   3HD2  LEU   6          HD22      LEU  27   4.029  -0.902   2.000
  204    H    CYS   7           HN       CYS  28   3.788  -4.294   6.044
  205    HA   CYS   7           HA       CYS  28   1.106  -5.272   6.777
  206   1HB   CYS   7           HB1      CYS  28   3.797  -5.404   7.910
  207   2HB   CYS   7           HB2      CYS  28   2.610  -5.081   9.141
  208    H    GLY   8           HN       GLY  29   3.158  -2.768   8.391
  209   1HA   GLY   8           HA1      GLY  29   0.658  -1.128   8.649
  210   2HA   GLY   8           HA2      GLY  29   1.699  -1.406  10.044
  211    H    SER   9           HN       SER  30   3.961  -0.780   9.726
  212    HA   SER   9           HA       SER  30   4.097   1.956   8.883
  213   1HB   SER   9           HB1      SER  30   6.586   1.671   9.576
  214   2HB   SER   9           HB2      SER  30   5.521   0.993  10.810
  215    HG   SER   9           HG1      SER  30   7.246  -0.258   9.130
  216    H    HIS  10           HN       HIS  31   4.495  -0.891   7.203
  217    HA   HIS  10           HA       HIS  31   6.278   0.277   5.159
  218   1HB   HIS  10           HB1      HIS  31   4.765  -2.306   5.239
  219   2HB   HIS  10           HB2      HIS  31   5.844  -1.629   3.967
  220    HD1  HIS  10           HD1      HIS  31   6.162  -2.000   7.733
  221    HD2  HIS  10           HD2      HIS  31   8.346  -2.912   4.410
  222    HE1  HIS  10           HE1      HIS  31   8.258  -2.989   8.534
  223    H    LEU  11           HN       LEU  32   2.903  -0.686   5.706
  224    HA   LEU  11           HA       LEU  32   1.950  -0.141   3.075
  225   1HB   LEU  11           HB1      LEU  32   0.787  -0.093   5.750
  226   2HB   LEU  11           HB2      LEU  32  -0.122   0.932   4.638
  227    HG   LEU  11           HG       LEU  32   0.418  -1.983   4.714
  228   1HD1  LEU  11          HD12      LEU  32  -1.473  -1.059   6.065
  229   2HD1  LEU  11          HD11      LEU  32  -2.126  -0.277   4.647
  230   3HD1  LEU  11          HD13      LEU  32  -2.154  -2.034   4.773
  231   1HD2  LEU  11          HD22      LEU  32  -0.942  -0.405   2.421
  232   2HD2  LEU  11          HD21      LEU  32   0.572  -1.252   2.262
  233   3HD2  LEU  11          HD23      LEU  32  -0.882  -2.159   2.505
  234    H    VAL  12           HN       VAL  33   2.140   1.882   5.929
  235    HA   VAL  12           HA       VAL  33   1.501   4.360   4.639
  236    HB   VAL  12           HB       VAL  33   2.533   5.401   6.678
  237   1HG1  VAL  12          HG11      VAL  33   0.597   3.069   7.175
  238   2HG1  VAL  12          HG13      VAL  33   0.791   4.434   8.246
  239   3HG1  VAL  12          HG12      VAL  33   0.105   4.667   6.655
  240   1HG2  VAL  12          HG22      VAL  33   3.192   2.634   7.341
  241   2HG2  VAL  12          HG21      VAL  33   4.320   3.953   7.092
  242   3HG2  VAL  12          HG23      VAL  33   3.255   3.977   8.491
  243    H    GLU  13           HN       GLU  34   4.126   2.559   3.774
  244    HA   GLU  13           HA       GLU  34   5.861   4.929   3.392
  245   1HB   GLU  13           HB1      GLU  34   7.591   3.433   4.051
  246   2HB   GLU  13           HB2      GLU  34   6.325   2.329   4.504
  247   1HG   GLU  13           HG2      GLU  34   7.724   1.054   3.084
  248   2HG   GLU  13           HG1      GLU  34   6.352   1.454   2.084
  249    H    ALA  14           HN       ALA  35   4.076   2.280   2.170
  250    HA   ALA  14           HA       ALA  35   4.640   2.987  -0.614
  251   1HB   ALA  14           HB2      ALA  35   4.714   0.560   0.104
  252   2HB   ALA  14           HB1      ALA  35   3.061   0.711   0.681
  253   3HB   ALA  14           HB3      ALA  35   3.396   0.795  -1.045
  254    H    LEU  15           HN       LEU  36   2.479   3.644   1.838
  255    HA   LEU  15           HA       LEU  36   0.193   4.286   0.076
  256   1HB   LEU  15           HB1      LEU  36  -0.163   2.886   2.064
  257   2HB   LEU  15           HB2      LEU  36   0.634   4.079   3.054
  258    HG   LEU  15           HG       LEU  36  -1.167   5.622   2.843
  259   1HD1  LEU  15          HD11      LEU  36  -2.492   3.403   1.159
  260   2HD1  LEU  15          HD13      LEU  36  -3.294   4.901   1.629
  261   3HD1  LEU  15          HD12      LEU  36  -1.949   4.928   0.505
  262   1HD2  LEU  15          HD21      LEU  36  -1.212   3.934   4.625
  263   2HD2  LEU  15          HD23      LEU  36  -2.851   4.289   4.113
  264   3HD2  LEU  15          HD22      LEU  36  -2.069   2.811   3.580
  265    OH   TYR  16           OH       TYR  37   7.355  11.948   0.908
  266    H    TYR  16           HN       TYR  37   2.753   5.517   2.031
  267    HA   TYR  16           HA       TYR  37   1.915   8.291   2.151
  268   1HB   TYR  16           HB1      TYR  37   3.722   7.815   3.687
  269   2HB   TYR  16           HB2      TYR  37   4.545   6.776   2.526
  270    HD1  TYR  16           HD1      TYR  37   3.998  10.332   3.491
  271    HD2  TYR  16           HD2      TYR  37   5.971   7.648   0.844
  272    HE1  TYR  16           HE1      TYR  37   5.460  12.153   2.711
  273    HE2  TYR  16           HE2      TYR  37   7.428   9.452   0.071
  274    HH   TYR  16           HH       TYR  37   7.302  12.658   1.552
  275    H    LEU  17           HN       LEU  38   3.514   6.173  -0.013
  276    HA   LEU  17           HA       LEU  38   4.439   8.144  -1.926
  277   1HB   LEU  17           HB1      LEU  38   5.553   5.902  -1.445
  278   2HB   LEU  17           HB2      LEU  38   4.177   5.147  -2.249
  279    HG   LEU  17           HG       LEU  38   4.760   6.470  -4.354
  280   1HD1  LEU  17          HD11      LEU  38   7.264   7.172  -2.771
  281   2HD1  LEU  17          HD13      LEU  38   6.993   7.543  -4.467
  282   3HD1  LEU  17          HD12      LEU  38   6.027   8.328  -3.233
  283   1HD2  LEU  17          HD21      LEU  38   5.513   4.130  -4.073
  284   2HD2  LEU  17          HD23      LEU  38   6.684   5.081  -4.973
  285   3HD2  LEU  17          HD22      LEU  38   6.976   4.700  -3.278
  286    H    VAL  18           HN       VAL  39   1.570   6.121  -1.699
  287    HA   VAL  18           HA       VAL  39   0.867   6.965  -4.447
  288    HB   VAL  18           HB       VAL  39   0.795   4.587  -3.246
  289   1HG1  VAL  18          HG12      VAL  39  -0.995   4.979  -1.690
  290   2HG1  VAL  18          HG11      VAL  39  -2.090   5.414  -3.007
  291   3HG1  VAL  18          HG13      VAL  39  -1.481   3.782  -2.876
  292   1HG2  VAL  18          HG21      VAL  39   0.605   4.997  -5.701
  293   2HG2  VAL  18          HG23      VAL  39  -0.602   3.823  -5.221
  294   3HG2  VAL  18          HG22      VAL  39  -1.073   5.488  -5.508
  295    H    CYS  19           HN       CYS  40  -0.169   7.290  -1.225
  296    HA   CYS  19           HA       CYS  40  -2.517   9.021  -1.926
  297   1HB   CYS  19           HB1      CYS  40  -2.061   7.241   0.518
  298   2HB   CYS  19           HB2      CYS  40  -3.423   8.328   0.281
  299    H    GLY  20           HN       GLY  41  -0.504  10.092  -2.309
  300   1HA   GLY  20           HA1      GLY  41   0.565  11.449   0.079
  301   2HA   GLY  20           HA2      GLY  41   1.406  11.320  -1.471
  302    H    GLU  21           HN       GLU  42  -0.667  11.604  -3.106
  303    HA   GLU  21           HA       GLU  42  -1.268  14.497  -3.149
  304   1HB   GLU  21           HB1      GLU  42  -0.260  13.332  -5.205
  305   2HB   GLU  21           HB2      GLU  42  -1.667  12.319  -5.289
  306   1HG   GLU  21           HG2      GLU  42  -1.914  14.180  -6.892
  307   2HG   GLU  21           HG1      GLU  42  -3.124  14.324  -5.631
  308    NH1  ARG  22           NH1      ARG  43  -5.773  10.877  -8.255
  309    NH2  ARG  22           NH2      ARG  43  -4.951  12.991  -8.603
  310    H    ARG  22           HN       ARG  43  -2.676  11.409  -2.703
  311    HA   ARG  22           HA       ARG  43  -5.450  12.541  -2.495
  312   1HB   ARG  22           HB1      ARG  43  -4.839   9.565  -2.739
  313   2HB   ARG  22           HB2      ARG  43  -6.310  10.406  -3.187
  314   1HG   ARG  22           HG2      ARG  43  -3.644  10.614  -4.661
  315   2HG   ARG  22           HG1      ARG  43  -4.987   9.624  -5.171
  316   1HD   ARG  22           HD2      ARG  43  -6.363  11.522  -5.695
  317   2HD   ARG  22           HD1      ARG  43  -5.304  12.633  -4.837
  318    HE   ARG  22           HE       ARG  43  -3.571  12.092  -6.625
  319   1HH1  ARG  22          HH12      ARG  43  -5.859  10.088  -7.647
  320   2HH1  ARG  22          HH11      ARG  43  -6.204  10.855  -9.160
  321   1HH2  ARG  22          HH22      ARG  43  -4.424  13.761  -8.245
  322   2HH2  ARG  22          HH21      ARG  43  -5.352  13.051  -9.518
  323    H    GLY  23           HN       GLY  44  -3.505  12.851  -0.601
  324   1HA   GLY  23           HA1      GLY  44  -2.745  11.569   1.479
  325   2HA   GLY  23           HA2      GLY  44  -3.679  13.003   1.774
  326    H    PHE  24           HN       PHE  45  -3.155  10.952   3.479
  327    HA   PHE  24           HA       PHE  45  -5.886  10.168   4.292
  328   1HB   PHE  24           HB1      PHE  45  -5.138   7.871   4.813
  329   2HB   PHE  24           HB2      PHE  45  -4.801   8.200   3.117
  330    HD1  PHE  24           HD1      PHE  45  -2.376   8.828   2.424
  331    HD2  PHE  24           HD2      PHE  45  -3.351   7.385   6.333
  332    HE1  PHE  24           HE1      PHE  45  -0.028   8.344   2.849
  333    HE2  PHE  24           HE2      PHE  45  -0.990   6.896   6.731
  334    HZ   PHE  24           HZ       PHE  45   0.686   7.373   4.993
  335    H    PHE  25           HN       PHE  46  -5.814   9.334   6.522
  336    HA   PHE  25           HA       PHE  46  -3.767  10.729   8.216
  337   1HB   PHE  25           HB1      PHE  46  -6.024  11.918   8.181
  338   2HB   PHE  25           HB2      PHE  46  -6.756  10.485   8.869
  339    HD1  PHE  25           HD1      PHE  46  -3.854  12.793   9.473
  340    HD2  PHE  25           HD2      PHE  46  -6.897  10.415  11.274
  341    HE1  PHE  25           HE1      PHE  46  -3.177  13.601  11.676
  342    HE2  PHE  25           HE2      PHE  46  -6.216  11.223  13.480
  343    HZ   PHE  25           HZ       PHE  46  -4.355  12.828  13.697
   
 Raw file had 343 H/Q atoms
  Start of MODEL    2
    1   1H    GLY   1           HT1      GLY   1   5.779   9.118   0.345
    2   2H    GLY   1           HT3      GLY   1   6.998   9.912   1.215
    3   3H    GLY   1           HT2      GLY   1   6.602   8.304   1.583
    4   1HA   GLY   1           HA1      GLY   1   5.135   8.981   3.065
    5   2HA   GLY   1           HA2      GLY   1   5.540  10.649   2.670
    6    H    ILE   2           HN       ILE   2   3.805   7.945   1.143
    7    HA   ILE   2           HA       ILE   2   1.685   9.839   0.256
    8    HB   ILE   2           HB       ILE   2   2.470   7.046  -0.769
    9   1HG1  ILE   2          HG12      ILE   2   2.814   8.349  -2.953
   10   2HG1  ILE   2          HG11      ILE   2   2.486   9.830  -2.079
   11   1HG2  ILE   2          HG22      ILE   2  -0.092   7.469  -0.880
   12   2HG2  ILE   2          HG21      ILE   2   0.256   8.935  -1.760
   13   3HG2  ILE   2          HG23      ILE   2   0.630   7.379  -2.453
   14   1HD1  ILE   2           HD1      ILE   2   4.803   7.975  -1.471
   15   2HD1  ILE   2           HD3      ILE   2   4.872   9.433  -2.454
   16   3HD1  ILE   2           HD2      ILE   2   4.510   9.557  -0.759
   17    H    VAL   3           HN       VAL   3   1.156   9.780   2.538
   18    HA   VAL   3           HA       VAL   3  -0.444   7.415   3.438
   19    HB   VAL   3           HB       VAL   3   1.336   8.280   5.015
   20   1HG1  VAL   3          HG12      VAL   3   1.302  10.685   4.355
   21   2HG1  VAL   3          HG11      VAL   3  -0.301  10.864   5.054
   22   3HG1  VAL   3          HG13      VAL   3   1.063  10.512   6.086
   23   1HG2  VAL   3          HG22      VAL   3  -1.526   8.759   6.007
   24   2HG2  VAL   3          HG21      VAL   3  -0.685   7.215   5.988
   25   3HG2  VAL   3          HG23      VAL   3  -0.125   8.501   7.032
   26    H    GLU   4           HN       GLU   4  -0.459  10.712   2.521
   27    HA   GLU   4           HA       GLU   4  -3.080  11.378   3.376
   28   1HB   GLU   4           HB1      GLU   4  -2.702  13.293   1.585
   29   2HB   GLU   4           HB2      GLU   4  -1.632  13.250   2.968
   30   1HG   GLU   4           HG2      GLU   4  -0.396  13.579   0.825
   31   2HG   GLU   4           HG1      GLU   4   0.127  12.101   1.580
   32    H    GLN   5           HN       GLN   5  -2.105   9.551   0.877
   33    HA   GLN   5           HA       GLN   5  -4.642   9.851  -0.675
   34   1HB   GLN   5           HB1      GLN   5  -2.585  10.077  -1.945
   35   2HB   GLN   5           HB2      GLN   5  -1.972   8.552  -1.315
   36   1HG   GLN   5           HG2      GLN   5  -3.737   7.351  -2.558
   37   2HG   GLN   5           HG1      GLN   5  -4.416   8.877  -3.108
   38   1HE2  GLN   5          HE21      GLN   5  -2.122   9.196  -5.741
   39   2HE2  GLN   5          HE22      GLN   5  -3.589   9.677  -5.040
   40    H    CYS   6           HN       CYS   6  -2.646   7.642   1.069
   41    HA   CYS   6           HA       CYS   6  -4.455   5.344   0.776
   42   1HB   CYS   6           HB1      CYS   6  -1.801   5.689   2.056
   43   2HB   CYS   6           HB2      CYS   6  -2.703   4.172   2.129
   44    H    CYS   7           HN       CYS   7  -3.945   7.508   3.620
   45    HA   CYS   7           HA       CYS   7  -5.587   5.532   5.102
   46   1HB   CYS   7           HB1      CYS   7  -3.536   5.701   6.116
   47   2HB   CYS   7           HB2      CYS   7  -3.518   7.446   6.146
   48    H    THR   8           HN       THR   8  -4.706   8.823   4.529
   49    HA   THR   8           HA       THR   8  -6.721  10.065   5.972
   50    HB   THR   8           HB       THR   8  -5.359  10.978   3.362
   51    HG1  THR   8           HG1      THR   8  -4.553  12.015   5.748
   52   1HG2  THR   8          HG21      THR   8  -6.633  12.680   5.580
   53   2HG2  THR   8          HG23      THR   8  -5.806  13.277   4.144
   54   3HG2  THR   8          HG22      THR   8  -7.345  12.434   4.002
   55    H    SER   9           HN       SER   9  -6.572   8.685   2.910
   56    HA   SER   9           HA       SER   9  -9.497   8.465   2.519
   57   1HB   SER   9           HB1      SER   9  -7.411   9.453   0.461
   58   2HB   SER   9           HB2      SER   9  -9.055   8.957   0.008
   59    HG   SER   9           HG1      SER   9  -9.712  10.805   0.677
   60    H    ILE  10           HN       ILE  10  -9.260   6.962   0.176
   61    HA   ILE  10           HA       ILE  10  -7.638   4.621   1.096
   62    HB   ILE  10           HB       ILE  10 -10.177   4.667  -0.637
   63   1HG1  ILE  10          HG12      ILE  10 -10.820   3.054   1.493
   64   2HG1  ILE  10          HG11      ILE  10  -9.745   4.185   2.268
   65   1HG2  ILE  10          HG21      ILE  10  -8.519   2.300   0.278
   66   2HG2  ILE  10          HG23      ILE  10 -10.098   2.179  -0.498
   67   3HG2  ILE  10          HG22      ILE  10  -8.734   2.864  -1.359
   68   1HD1  ILE  10           HD2      ILE  10 -11.139   6.110   1.422
   69   2HD1  ILE  10           HD1      ILE  10 -12.178   4.942   0.614
   70   3HD1  ILE  10           HD3      ILE  10 -12.095   4.973   2.361
   71    H    CYS  11           HN       CYS  11  -6.301   3.805  -0.272
   72    HA   CYS  11           HA       CYS  11  -5.924   5.003  -3.002
   73   1HB   CYS  11           HB1      CYS  11  -3.493   5.075  -2.502
   74   2HB   CYS  11           HB2      CYS  11  -4.267   5.417  -1.085
   75    H    SER  12           HN       SER  12  -4.712   3.073  -4.392
   76    HA   SER  12           HA       SER  12  -6.270   0.581  -3.724
   77   1HB   SER  12           HB1      SER  12  -6.587   0.218  -6.085
   78   2HB   SER  12           HB2      SER  12  -6.883   1.924  -5.811
   79    HG   SER  12           HG1      SER  12  -5.170   0.940  -7.451
   80    H    LEU  13           HN       LEU  13  -5.271  -1.221  -5.359
   81    HA   LEU  13           HA       LEU  13  -2.711  -1.887  -4.090
   82   1HB   LEU  13           HB1      LEU  13  -4.650  -3.522  -4.282
   83   2HB   LEU  13           HB2      LEU  13  -4.470  -3.500  -6.015
   84    HG   LEU  13           HG       LEU  13  -1.995  -4.299  -5.513
   85   1HD1  LEU  13          HD11      LEU  13  -3.401  -5.093  -2.910
   86   2HD1  LEU  13          HD13      LEU  13  -1.801  -5.626  -3.401
   87   3HD1  LEU  13          HD12      LEU  13  -2.085  -3.935  -3.028
   88   1HD2  LEU  13          HD22      LEU  13  -4.371  -6.155  -5.053
   89   2HD2  LEU  13          HD21      LEU  13  -3.692  -5.717  -6.608
   90   3HD2  LEU  13          HD23      LEU  13  -2.741  -6.669  -5.484
   91    OH   TYR  14           OH       TYR  14   0.211   0.525 -14.088
   92    H    TYR  14           HN       TYR  14  -3.989  -1.007  -7.158
   93    HA   TYR  14           HA       TYR  14  -1.578  -1.593  -8.735
   94   1HB   TYR  14           HB1      TYR  14  -3.828  -1.418  -9.802
   95   2HB   TYR  14           HB2      TYR  14  -3.844   0.297  -9.457
   96    HD1  TYR  14           HD2      TYR  14  -1.991  -2.329 -11.355
   97    HD2  TYR  14           HD1      TYR  14  -2.416   1.854 -10.658
   98    HE1  TYR  14           HE2      TYR  14  -0.520  -1.846 -13.264
   99    HE2  TYR  14           HE1      TYR  14  -0.945   2.321 -12.553
  100    HH   TYR  14           HH       TYR  14   1.005   0.000 -13.947
  101    H    GLN  15           HN       GLN  15  -3.288   1.200  -7.519
  102    HA   GLN  15           HA       GLN  15  -1.419   3.224  -8.181
  103   1HB   GLN  15           HB1      GLN  15  -3.362   2.971  -5.862
  104   2HB   GLN  15           HB2      GLN  15  -2.323   4.374  -6.009
  105   1HG   GLN  15           HG2      GLN  15  -4.172   3.523  -8.287
  106   2HG   GLN  15           HG1      GLN  15  -4.668   4.662  -7.050
  107   1HE2  GLN  15          HE21      GLN  15  -2.335   7.213  -8.169
  108   2HE2  GLN  15          HE22      GLN  15  -3.014   6.583  -6.756
  109    H    LEU  16           HN       LEU  16  -1.515   0.956  -5.580
  110    HA   LEU  16           HA       LEU  16   0.878   2.048  -4.256
  111   1HB   LEU  16           HB1      LEU  16  -1.158   1.066  -3.068
  112   2HB   LEU  16           HB2      LEU  16  -0.686  -0.517  -3.634
  113    HG   LEU  16           HG       LEU  16   1.416  -0.349  -2.263
  114   1HD1  LEU  16          HD11      LEU  16   0.237   2.326  -1.389
  115   2HD1  LEU  16          HD13      LEU  16   1.677   1.565  -0.712
  116   3HD1  LEU  16          HD12      LEU  16   1.676   2.133  -2.368
  117   1HD2  LEU  16          HD21      LEU  16  -0.703  -1.249  -1.287
  118   2HD2  LEU  16          HD23      LEU  16   0.266  -0.440  -0.058
  119   3HD2  LEU  16          HD22      LEU  16  -1.145   0.357  -0.731
  120    H    GLU  17           HN       GLU  17   0.135  -0.146  -6.683
  121    HA   GLU  17           HA       GLU  17   2.095  -2.163  -6.641
  122   1HB   GLU  17           HB1      GLU  17   0.164  -1.599  -8.261
  123   2HB   GLU  17           HB2      GLU  17   1.339  -0.710  -9.217
  124   1HG   GLU  17           HG2      GLU  17   2.600  -2.970  -9.173
  125   2HG   GLU  17           HG1      GLU  17   1.096  -3.616  -8.556
  126    H    ASN  18           HN       ASN  18   2.139   0.969  -8.050
  127    HA   ASN  18           HA       ASN  18   4.938   1.014  -8.817
  128   1HB   ASN  18           HB1      ASN  18   2.913   3.259  -8.651
  129   2HB   ASN  18           HB2      ASN  18   4.414   3.291  -9.555
  130   1HD2  ASN  18          HD21      ASN  18   1.215   1.723 -11.360
  131   2HD2  ASN  18          HD22      ASN  18   1.104   2.653  -9.949
  132    OH   TYR  19           OH       TYR  19   1.673   6.854  -4.461
  133    H    TYR  19           HN       TYR  19   4.629   0.587  -5.995
  134    HA   TYR  19           HA       TYR  19   6.130   2.963  -4.905
  135   1HB   TYR  19           HB1      TYR  19   4.041   1.166  -3.519
  136   2HB   TYR  19           HB2      TYR  19   5.183   2.120  -2.603
  137    HD1  TYR  19           HD1      TYR  19   3.010   2.733  -5.669
  138    HD2  TYR  19           HD2      TYR  19   4.370   4.339  -1.926
  139    HE1  TYR  19           HE1      TYR  19   1.800   4.809  -6.054
  140    HE2  TYR  19           HE2      TYR  19   3.163   6.313  -2.370
  141    HH   TYR  19           HH       TYR  19   1.093   6.714  -5.212
  142    H    CYS  20           HN       CYS  20   6.100  -0.498  -5.452
  143    HA   CYS  20           HA       CYS  20   7.732  -1.747  -3.850
  144   1HB   CYS  20           HB1      CYS  20   7.659  -1.772  -6.873
  145   2HB   CYS  20           HB2      CYS  20   8.716  -2.851  -6.032
  146    H    ASN  21           HN       ASN  21   9.717  -2.693  -4.284
  147    HA   ASN  21           HA       ASN  21  11.980  -0.833  -4.894
  148   1HB   ASN  21           HB1      ASN  21  11.441  -2.162  -2.216
  149   2HB   ASN  21           HB2      ASN  21  13.072  -1.701  -2.681
  150   1HD2  ASN  21          HD21      ASN  21  12.574   1.659  -1.836
  151   2HD2  ASN  21          HD22      ASN  21  13.628   0.388  -2.242
  152   1H    PHE   1           HT1      PHE  22  -7.406  -3.111  -2.668
  153   2H    PHE   1           HT3      PHE  22  -5.883  -3.032  -1.912
  154   3H    PHE   1           HT2      PHE  22  -6.096  -4.018  -3.262
  155    HA   PHE   1           HA       PHE  22  -6.636  -5.705  -2.002
  156   1HB   PHE   1           HB1      PHE  22  -6.281  -5.500   0.437
  157   2HB   PHE   1           HB2      PHE  22  -5.044  -4.622  -0.423
  158    HD1  PHE   1           HD1      PHE  22  -6.786  -1.943  -0.863
  159    HD2  PHE   1           HD2      PHE  22  -6.041  -4.475   2.500
  160    HE1  PHE   1           HE1      PHE  22  -7.230  -0.089   0.622
  161    HE2  PHE   1           HE2      PHE  22  -6.469  -2.578   3.994
  162    HZ   PHE   1           HZ       PHE  22  -7.047  -0.380   3.068
  163    H    VAL   2           HN       VAL  23  -8.324  -3.408   0.003
  164    HA   VAL   2           HA       VAL  23 -11.003  -4.334  -0.884
  165    HB   VAL   2           HB       VAL  23  -9.936  -4.043   1.986
  166   1HG1  VAL   2          HG11      VAL  23 -12.768  -4.728   1.120
  167   2HG1  VAL   2          HG13      VAL  23 -12.183  -4.817   2.768
  168   3HG1  VAL   2          HG12      VAL  23 -12.288  -3.269   1.987
  169   1HG2  VAL   2          HG22      VAL  23 -10.994  -6.484   0.472
  170   2HG2  VAL   2          HG21      VAL  23  -9.321  -6.205   0.908
  171   3HG2  VAL   2          HG23      VAL  23 -10.512  -6.475   2.167
  172    H    ASN   3           HN       ASN  24 -12.540  -2.546   0.370
  173    HA   ASN   3           HA       ASN  24 -11.428   0.092  -0.489
  174   1HB   ASN   3           HB1      ASN  24 -14.267  -0.916   0.066
  175   2HB   ASN   3           HB2      ASN  24 -13.950   0.796  -0.177
  176   1HD2  ASN   3          HD21      ASN  24 -14.496  -1.461  -3.370
  177   2HD2  ASN   3          HD22      ASN  24 -14.961  -1.899  -1.791
  178    H    GLN   4           HN       GLN  25 -10.079  -0.162   1.424
  179    HA   GLN   4           HA       GLN  25 -11.355   1.297   3.606
  180   1HB   GLN   4           HB1      GLN  25 -11.329  -1.302   4.008
  181   2HB   GLN   4           HB2      GLN  25  -9.586  -1.186   4.105
  182   1HG   GLN   4           HG2      GLN  25 -10.748  -1.223   6.324
  183   2HG   GLN   4           HG1      GLN  25  -9.749   0.212   6.125
  184   1HE2  GLN   4          HE21      GLN  25 -12.590   2.004   7.229
  185   2HE2  GLN   4          HE22      GLN  25 -10.984   1.542   7.525
  186    H    HIS   5           HN       HIS  26  -9.606   1.935   5.200
  187    HA   HIS   5           HA       HIS  26  -7.423   3.070   3.501
  188   1HB   HIS   5           HB1      HIS  26  -7.863   4.027   6.332
  189   2HB   HIS   5           HB2      HIS  26  -7.265   4.863   4.898
  190    HD1  HIS   5           HD1      HIS  26  -8.738   6.590   4.221
  191    HD2  HIS   5           HD2      HIS  26 -10.862   3.416   5.666
  192    HE1  HIS   5           HE1      HIS  26 -11.117   7.206   4.023
  193    H    LEU   6           HN       LEU  27  -5.519   3.597   4.703
  194    HA   LEU   6           HA       LEU  27  -4.374   1.348   6.326
  195   1HB   LEU   6           HB1      LEU  27  -3.031   3.110   4.205
  196   2HB   LEU   6           HB2      LEU  27  -2.332   1.722   5.021
  197    HG   LEU   6           HG       LEU  27  -4.840   1.526   3.242
  198   1HD1  LEU   6          HD12      LEU  27  -2.923   2.154   1.820
  199   2HD1  LEU   6          HD11      LEU  27  -2.020   0.749   2.379
  200   3HD1  LEU   6          HD13      LEU  27  -3.507   0.541   1.479
  201   1HD2  LEU   6          HD21      LEU  27  -4.567  -0.307   4.916
  202   2HD2  LEU   6          HD23      LEU  27  -4.367  -0.896   3.281
  203   3HD2  LEU   6          HD22      LEU  27  -2.962  -0.634   4.294
  204    H    CYS   7           HN       CYS  28  -2.214   3.264   6.185
  205    HA   CYS   7           HA       CYS  28  -1.860   5.646   7.225
  206   1HB   CYS   7           HB1      CYS  28  -3.537   4.324   9.359
  207   2HB   CYS   7           HB2      CYS  28  -2.090   5.036   9.957
  208    H    GLY   8           HN       GLY  29  -1.467   3.041   9.544
  209   1HA   GLY   8           HA1      GLY  29   1.409   2.808   8.835
  210   2HA   GLY   8           HA2      GLY  29   0.977   3.275  10.485
  211    H    SER   9           HN       SER  30   1.985   0.820   8.879
  212    HA   SER   9           HA       SER  30   2.254  -1.399   9.597
  213   1HB   SER   9           HB1      SER  30   1.140  -0.814  11.913
  214   2HB   SER   9           HB2      SER  30  -0.408  -1.239  11.155
  215    HG   SER   9           HG1      SER  30   0.962  -3.227  10.452
  216    H    HIS  10           HN       HIS  31  -1.053  -0.415   9.243
  217    HA   HIS  10           HA       HIS  31  -1.883  -2.688   7.615
  218   1HB   HIS  10           HB1      HIS  31  -3.091   0.084   7.313
  219   2HB   HIS  10           HB2      HIS  31  -3.715  -1.533   6.913
  220    HD1  HIS  10           HD1      HIS  31  -5.072   0.526   8.815
  221    HD2  HIS  10           HD2      HIS  31  -2.918  -2.669  10.165
  222    HE1  HIS  10           HE1      HIS  31  -5.849   0.089  11.113
  223    H    LEU  11           HN       LEU  32  -0.582   0.476   7.028
  224    HA   LEU  11           HA       LEU  32  -0.721   0.590   4.218
  225   1HB   LEU  11           HB1      LEU  32   0.960   1.789   6.298
  226   2HB   LEU  11           HB2      LEU  32   1.848   1.677   4.770
  227    HG   LEU  11           HG       LEU  32  -0.617   3.145   5.509
  228   1HD1  LEU  11          HD12      LEU  32   1.674   4.247   5.851
  229   2HD1  LEU  11          HD11      LEU  32   2.012   3.989   4.165
  230   3HD1  LEU  11          HD13      LEU  32   0.740   5.106   4.634
  231   1HD2  LEU  11          HD22      LEU  32   0.542   2.689   2.688
  232   2HD2  LEU  11          HD21      LEU  32  -1.028   2.173   3.213
  233   3HD2  LEU  11          HD23      LEU  32  -0.708   3.871   3.060
  234    H    VAL  12           HN       VAL  33   1.587  -0.558   6.364
  235    HA   VAL  12           HA       VAL  33   3.437  -1.747   4.502
  236    HB   VAL  12           HB       VAL  33   3.167  -2.307   7.513
  237   1HG1  VAL  12          HG11      VAL  33   5.490  -2.690   5.597
  238   2HG1  VAL  12          HG13      VAL  33   5.605  -2.872   7.340
  239   3HG1  VAL  12          HG12      VAL  33   4.598  -3.961   6.415
  240   1HG2  VAL  12          HG22      VAL  33   4.847  -0.168   6.125
  241   2HG2  VAL  12          HG21      VAL  33   3.434   0.130   7.120
  242   3HG2  VAL  12          HG23      VAL  33   4.884  -0.539   7.843
  243    H    GLU  13           HN       GLU  34   0.292  -2.837   5.481
  244    HA   GLU  13           HA       GLU  34   1.073  -5.672   5.001
  245   1HB   GLU  13           HB1      GLU  34  -1.042  -4.334   6.705
  246   2HB   GLU  13           HB2      GLU  34  -1.546  -5.754   5.828
  247   1HG   GLU  13           HG2      GLU  34  -0.690  -6.457   8.041
  248   2HG   GLU  13           HG1      GLU  34   0.302  -7.091   6.754
  249    H    ALA  14           HN       ALA  35  -0.044  -2.781   3.678
  250    HA   ALA  14           HA       ALA  35  -1.588  -4.219   1.660
  251   1HB   ALA  14           HB2      ALA  35  -2.738  -2.217   2.775
  252   2HB   ALA  14           HB1      ALA  35  -1.376  -1.203   2.288
  253   3HB   ALA  14           HB3      ALA  35  -2.463  -1.869   1.076
  254    H    LEU  15           HN       LEU  36   1.182  -2.518   2.437
  255    HA   LEU  15           HA       LEU  36   2.127  -2.128  -0.316
  256   1HB   LEU  15           HB1      LEU  36   2.367  -0.287   1.281
  257   2HB   LEU  15           HB2      LEU  36   3.095  -1.359   2.456
  258    HG   LEU  15           HG       LEU  36   5.140  -1.328   1.555
  259   1HD1  LEU  15          HD11      LEU  36   4.037  -0.150  -1.072
  260   2HD1  LEU  15          HD13      LEU  36   5.730  -0.501  -0.754
  261   3HD1  LEU  15          HD12      LEU  36   4.574  -1.803  -0.901
  262   1HD2  LEU  15          HD21      LEU  36   4.548   0.851   2.468
  263   2HD2  LEU  15          HD23      LEU  36   5.659   1.085   1.131
  264   3HD2  LEU  15          HD22      LEU  36   3.951   1.386   0.905
  265    OH   TYR  16           OH       TYR  37   6.240 -11.509   2.371
  266    H    TYR  16           HN       TYR  37   2.647  -4.096   2.505
  267    HA   TYR  16           HA       TYR  37   5.026  -5.433   1.444
  268   1HB   TYR  16           HB1      TYR  37   4.651  -5.777   3.865
  269   2HB   TYR  16           HB2      TYR  37   3.028  -6.404   3.581
  270    HD1  TYR  16           HD1      TYR  37   6.649  -7.075   3.165
  271    HD2  TYR  16           HD2      TYR  37   2.709  -8.699   2.754
  272    HE1  TYR  16           HE1      TYR  37   7.607  -9.300   2.815
  273    HE2  TYR  16           HE2      TYR  37   3.683 -10.919   2.411
  274    HH   TYR  16           HH       TYR  37   6.692 -11.478   1.525
  275    H    LEU  17           HN       LEU  38   1.628  -5.970   1.517
  276    HA   LEU  17           HA       LEU  38   1.477  -8.492   0.295
  277   1HB   LEU  17           HB1      LEU  38  -0.213  -7.139   1.568
  278   2HB   LEU  17           HB2      LEU  38  -0.529  -6.238   0.067
  279    HG   LEU  17           HG       LEU  38  -1.287  -8.392  -0.980
  280   1HD1  LEU  17          HD11      LEU  38  -0.749  -9.579   1.800
  281   2HD1  LEU  17          HD13      LEU  38  -1.545 -10.411   0.480
  282   3HD1  LEU  17          HD12      LEU  38   0.153 -10.006   0.354
  283   1HD2  LEU  17          HD22      LEU  38  -2.448  -7.823   1.781
  284   2HD2  LEU  17          HD21      LEU  38  -2.870  -6.979   0.294
  285   3HD2  LEU  17          HD23      LEU  38  -3.279  -8.681   0.490
  286    H    VAL  18           HN       VAL  39   2.076  -5.435  -1.017
  287    HA   VAL  18           HA       VAL  39   1.606  -6.405  -3.768
  288    HB   VAL  18           HB       VAL  39   0.732  -4.186  -2.503
  289   1HG1  VAL  18          HG12      VAL  39   2.882  -3.056  -2.344
  290   2HG1  VAL  18          HG11      VAL  39   3.056  -3.128  -4.085
  291   3HG1  VAL  18          HG13      VAL  39   1.782  -2.167  -3.375
  292   1HG2  VAL  18          HG21      VAL  39  -0.095  -5.086  -4.682
  293   2HG2  VAL  18          HG23      VAL  39   0.102  -3.337  -4.788
  294   3HG2  VAL  18          HG22      VAL  39   1.290  -4.413  -5.510
  295    H    CYS  19           HN       CYS  40   3.980  -5.115  -1.667
  296    HA   CYS  19           HA       CYS  40   6.269  -5.680  -3.502
  297   1HB   CYS  19           HB1      CYS  40   5.887  -3.122  -1.955
  298   2HB   CYS  19           HB2      CYS  40   7.263  -3.596  -2.923
  299    H    GLY  20           HN       GLY  41   5.582  -7.458  -1.931
  300   1HA   GLY  20           HA1      GLY  41   7.184  -7.198   0.564
  301   2HA   GLY  20           HA2      GLY  41   5.925  -8.406   0.334
  302    H    GLU  21           HN       GLU  42   6.282  -9.276  -2.007
  303    HA   GLU  21           HA       GLU  42   8.784 -10.891  -1.885
  304   1HB   GLU  21           HB1      GLU  42   6.192 -11.347  -3.465
  305   2HB   GLU  21           HB2      GLU  42   7.533 -12.447  -3.418
  306   1HG   GLU  21           HG2      GLU  42   6.041 -13.447  -1.906
  307   2HG   GLU  21           HG1      GLU  42   7.046 -12.521  -0.801
  308    NH1  ARG  22           NH2      ARG  43   2.525  -9.617  -6.413
  309    NH2  ARG  22           NH1      ARG  43   2.769  -9.276  -4.169
  310    H    ARG  22           HN       ARG  43   7.640  -8.146  -3.126
  311    HA   ARG  22           HA       ARG  43   9.298  -8.194  -5.600
  312   1HB   ARG  22           HB1      ARG  43   6.751  -6.575  -5.259
  313   2HB   ARG  22           HB2      ARG  43   7.670  -6.765  -6.709
  314   1HG   ARG  22           HG2      ARG  43   5.799  -8.227  -7.025
  315   2HG   ARG  22           HG1      ARG  43   7.025  -9.355  -6.453
  316   1HD   ARG  22           HD2      ARG  43   6.060  -9.295  -4.156
  317   2HD   ARG  22           HD1      ARG  43   5.008  -7.982  -4.641
  318    HE   ARG  22           HE       ARG  43   4.840 -10.735  -5.771
  319   1HH1  ARG  22          HH22      ARG  43   2.915  -9.857  -7.301
  320   2HH1  ARG  22          HH21      ARG  43   1.552  -9.398  -6.347
  321   1HH2  ARG  22          HH12      ARG  43   3.355  -9.270  -3.359
  322   2HH2  ARG  22          HH11      ARG  43   1.802  -9.041  -4.073
  323    H    GLY  23           HN       GLY  44  10.057  -7.469  -2.976
  324   1HA   GLY  23           HA1      GLY  44  11.647  -5.377  -2.994
  325   2HA   GLY  23           HA2      GLY  44  10.131  -4.480  -3.011
  326    H    PHE  24           HN       PHE  45  11.372  -3.709  -1.173
  327    HA   PHE  24           HA       PHE  45  12.182  -4.069   1.115
  328   1HB   PHE  24           HB1      PHE  45  10.998  -2.333   2.009
  329   2HB   PHE  24           HB2      PHE  45  10.439  -2.171   0.342
  330    HD1  PHE  24           HD1      PHE  45   8.051  -3.172  -0.275
  331    HD2  PHE  24           HD2      PHE  45   9.535  -2.751   3.733
  332    HE1  PHE  24           HE1      PHE  45   5.814  -3.377   0.623
  333    HE2  PHE  24           HE2      PHE  45   7.263  -2.966   4.594
  334    HZ   PHE  24           HZ       PHE  45   5.381  -3.275   3.039
  335    H    PHE  25           HN       PHE  46  12.374  -5.273   2.694
  336    HA   PHE  25           HA       PHE  46  10.149  -7.006   3.703
  337   1HB   PHE  25           HB1      PHE  46  11.847  -8.746   4.159
  338   2HB   PHE  25           HB2      PHE  46  11.851  -8.350   2.460
  339    HD1  PHE  25           HD1      PHE  46  13.689  -7.868   5.644
  340    HD2  PHE  25           HD2      PHE  46  13.787  -7.356   1.416
  341    HE1  PHE  25           HE1      PHE  46  16.098  -7.394   5.751
  342    HE2  PHE  25           HE2      PHE  46  16.188  -6.868   1.530
  343    HZ   PHE  25           HZ       PHE  46  17.346  -6.876   3.700
   
 Raw file had 343 H/Q atoms
  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1   2.286 -12.044   1.415
    2   2H    GLY   1           HT3      GLY   1   2.091 -12.877   2.880
    3   3H    GLY   1           HT2      GLY   1   0.794 -12.764   1.793
    4   1HA   GLY   1           HA1      GLY   1   0.093 -10.959   2.771
    5   2HA   GLY   1           HA2      GLY   1   1.442 -11.069   3.885
    6    H    ILE   2           HN       ILE   2   0.134  -8.868   2.805
    7    HA   ILE   2           HA       ILE   2   0.690  -7.188   0.992
    8    HB   ILE   2           HB       ILE   2   0.647  -5.352   2.751
    9   1HG1  ILE   2          HG12      ILE   2   1.249  -7.718   4.583
   10   2HG1  ILE   2          HG11      ILE   2   2.239  -6.295   4.324
   11   1HG2  ILE   2          HG22      ILE   2  -1.442  -6.709   2.084
   12   2HG2  ILE   2          HG21      ILE   2  -1.115  -7.799   3.400
   13   3HG2  ILE   2          HG23      ILE   2  -1.522  -6.126   3.732
   14   1HD1  ILE   2           HD2      ILE   2   0.554  -4.851   5.327
   15   2HD1  ILE   2           HD1      ILE   2  -0.490  -6.253   5.609
   16   3HD1  ILE   2           HD3      ILE   2   1.055  -6.113   6.424
   17    H    VAL   3           HN       VAL   3   3.186  -7.575   3.336
   18    HA   VAL   3           HA       VAL   3   4.977  -5.602   2.377
   19    HB   VAL   3           HB       VAL   3   4.972  -6.527   4.672
   20   1HG1  VAL   3          HG12      VAL   3   4.540  -8.909   4.160
   21   2HG1  VAL   3          HG11      VAL   3   6.133  -9.069   3.444
   22   3HG1  VAL   3          HG13      VAL   3   5.973  -8.737   5.160
   23   1HG2  VAL   3          HG21      VAL   3   7.035  -5.393   3.856
   24   2HG2  VAL   3          HG23      VAL   3   7.423  -6.645   5.022
   25   3HG2  VAL   3          HG22      VAL   3   7.675  -6.920   3.306
   26    H    GLU   4           HN       GLU   4   4.570  -8.859   1.161
   27    HA   GLU   4           HA       GLU   4   7.181  -8.548  -0.167
   28   1HB   GLU   4           HB1      GLU   4   7.061 -10.905  -0.661
   29   2HB   GLU   4           HB2      GLU   4   6.408 -10.739   0.955
   30   1HG   GLU   4           HG2      GLU   4   4.078 -10.627  -0.073
   31   2HG   GLU   4           HG1      GLU   4   4.781 -11.088  -1.606
   32    H    GLN   5           HN       GLN   5   4.419  -7.305  -0.852
   33    HA   GLN   5           HA       GLN   5   4.667  -7.915  -3.786
   34   1HB   GLN   5           HB1      GLN   5   2.409  -8.313  -2.757
   35   2HB   GLN   5           HB2      GLN   5   2.343  -6.629  -2.235
   36   1HG   GLN   5           HG2      GLN   5   2.496  -5.925  -4.635
   37   2HG   GLN   5           HG1      GLN   5   2.616  -7.595  -5.134
   38   1HE2  GLN   5          HE21      GLN   5  -0.812  -8.179  -5.090
   39   2HE2  GLN   5          HE22      GLN   5   0.758  -8.756  -5.381
   40    H    CYS   6           HN       CYS   6   4.302  -5.449  -1.372
   41    HA   CYS   6           HA       CYS   6   5.165  -3.324  -3.243
   42   1HB   CYS   6           HB1      CYS   6   4.361  -2.921  -0.384
   43   2HB   CYS   6           HB2      CYS   6   4.391  -1.803  -1.752
   44    H    CYS   7           HN       CYS   7   6.973  -5.316  -1.045
   45    HA   CYS   7           HA       CYS   7   9.011  -3.143  -0.939
   46   1HB   CYS   7           HB1      CYS   7   8.093  -3.213   1.263
   47   2HB   CYS   7           HB2      CYS   7   8.117  -4.936   1.399
   48    H    THR   8           HN       THR   8   8.044  -6.452  -1.193
   49    HA   THR   8           HA       THR   8  10.834  -7.239  -1.824
   50    HB   THR   8           HB       THR   8   8.329  -9.022  -1.713
   51    HG1  THR   8           HG1      THR   8   9.604  -9.507   0.386
   52   1HG2  THR   8          HG22      THR   8  10.418  -9.938  -2.825
   53   2HG2  THR   8          HG21      THR   8  11.292  -9.617  -1.327
   54   3HG2  THR   8          HG23      THR   8   9.992 -10.797  -1.360
   55    H    SER   9           HN       SER   9   9.849  -5.439  -3.285
   56    HA   SER   9           HA       SER   9  10.128  -5.357  -5.812
   57   1HB   SER   9           HB1      SER   9   8.075  -6.222  -7.084
   58   2HB   SER   9           HB2      SER   9   8.916  -7.567  -6.327
   59    HG   SER   9           HG1      SER   9   6.445  -6.864  -5.945
   60    H    ILE  10           HN       ILE  10   8.033  -4.213  -7.015
   61    HA   ILE  10           HA       ILE  10   6.971  -2.266  -5.007
   62    HB   ILE  10           HB       ILE  10   7.016  -1.741  -8.036
   63   1HG1  ILE  10          HG12      ILE  10   9.032  -0.233  -7.594
   64   2HG1  ILE  10          HG11      ILE  10   9.264  -1.083  -6.090
   65   1HG2  ILE  10          HG22      ILE  10   5.579  -0.421  -6.664
   66   2HG2  ILE  10          HG21      ILE  10   6.926   0.083  -5.655
   67   3HG2  ILE  10          HG23      ILE  10   6.874   0.537  -7.348
   68   1HD1  ILE  10           HD1      ILE  10   9.315  -2.344  -8.869
   69   2HD1  ILE  10           HD3      ILE  10  10.722  -1.939  -7.911
   70   3HD1  ILE  10           HD2      ILE  10   9.667  -3.218  -7.389
   71    H    CYS  11           HN       CYS  11   4.836  -1.900  -5.130
   72    HA   CYS  11           HA       CYS  11   3.139  -3.874  -6.647
   73   1HB   CYS  11           HB1      CYS  11   1.726  -4.015  -4.671
   74   2HB   CYS  11           HB2      CYS  11   3.308  -3.923  -4.115
   75    H    SER  12           HN       SER  12   0.938  -2.858  -7.241
   76    HA   SER  12           HA       SER  12   1.409  -0.064  -8.194
   77   1HB   SER  12           HB1      SER  12  -0.188  -0.502  -9.950
   78   2HB   SER  12           HB2      SER  12   0.754  -1.980  -9.847
   79    HG   SER  12           HG1      SER  12  -1.308  -2.016  -8.078
   80    H    LEU  13           HN       LEU  13  -1.111   0.703  -8.709
   81    HA   LEU  13           HA       LEU  13  -2.081   1.490  -6.044
   82   1HB   LEU  13           HB1      LEU  13  -1.473   3.188  -7.597
   83   2HB   LEU  13           HB2      LEU  13  -2.473   2.511  -8.866
   84    HG   LEU  13           HG       LEU  13  -4.504   3.086  -7.637
   85   1HD1  LEU  13          HD11      LEU  13  -2.583   4.367  -5.621
   86   2HD1  LEU  13          HD13      LEU  13  -4.320   4.554  -5.598
   87   3HD1  LEU  13          HD12      LEU  13  -3.625   2.972  -5.295
   88   1HD2  LEU  13          HD22      LEU  13  -2.560   5.411  -7.973
   89   2HD2  LEU  13          HD21      LEU  13  -3.572   4.721  -9.225
   90   3HD2  LEU  13          HD23      LEU  13  -4.302   5.575  -7.874
   91    OH   TYR  14           OH       TYR  14  -9.940  -4.896  -9.568
   92    H    TYR  14           HN       TYR  14  -2.811  -0.899  -8.090
   93    HA   TYR  14           HA       TYR  14  -5.747  -1.040  -7.487
   94   1HB   TYR  14           HB1      TYR  14  -4.967  -1.287 -10.004
   95   2HB   TYR  14           HB2      TYR  14  -4.174  -2.760  -9.498
   96    HD1  TYR  14           HD2      TYR  14  -7.505  -1.196  -8.682
   97    HD2  TYR  14           HD1      TYR  14  -5.444  -4.670 -10.060
   98    HE1  TYR  14           HE2      TYR  14  -9.634  -2.413  -8.811
   99    HE2  TYR  14           HE1      TYR  14  -7.575  -5.865 -10.193
  100    HH   TYR  14           HH       TYR  14  -9.850  -5.672  -9.008
  101    H    GLN  15           HN       GLN  15  -2.670  -2.609  -7.810
  102    HA   GLN  15           HA       GLN  15  -3.321  -4.972  -6.348
  103   1HB   GLN  15           HB1      GLN  15  -0.658  -3.582  -7.013
  104   2HB   GLN  15           HB2      GLN  15  -0.725  -5.163  -6.263
  105   1HG   GLN  15           HG2      GLN  15  -2.031  -4.469  -8.961
  106   2HG   GLN  15           HG1      GLN  15  -0.516  -5.314  -8.810
  107   1HE2  GLN  15          HE21      GLN  15  -2.475  -8.113  -7.150
  108   2HE2  GLN  15          HE22      GLN  15  -1.312  -7.032  -6.542
  109    H    LEU  16           HN       LEU  16  -2.461  -1.739  -5.466
  110    HA   LEU  16           HA       LEU  16  -2.393  -2.556  -2.556
  111   1HB   LEU  16           HB1      LEU  16  -0.408  -1.138  -3.546
  112   2HB   LEU  16           HB2      LEU  16  -1.577   0.173  -3.707
  113    HG   LEU  16           HG       LEU  16  -2.071  -0.225  -1.138
  114   1HD1  LEU  16          HD12      LEU  16  -0.895  -2.401  -0.959
  115   2HD1  LEU  16          HD11      LEU  16   0.605  -1.576  -1.318
  116   3HD1  LEU  16          HD13      LEU  16  -0.254  -1.213   0.163
  117   1HD2  LEU  16          HD22      LEU  16   0.655   0.912  -1.907
  118   2HD2  LEU  16          HD21      LEU  16  -0.864   1.807  -1.928
  119   3HD2  LEU  16          HD23      LEU  16  -0.213   1.182  -0.416
  120    H    GLU  17           HN       GLU  17  -4.638  -2.327  -4.367
  121    HA   GLU  17           HA       GLU  17  -6.213  -0.055  -3.192
  122   1HB   GLU  17           HB1      GLU  17  -6.101  -0.460  -5.720
  123   2HB   GLU  17           HB2      GLU  17  -7.027  -1.926  -5.461
  124   1HG   GLU  17           HG2      GLU  17  -8.810  -0.566  -4.369
  125   2HG   GLU  17           HG1      GLU  17  -7.944   0.880  -4.877
  126    H    ASN  18           HN       ASN  18  -6.170  -3.401  -3.961
  127    HA   ASN  18           HA       ASN  18  -8.431  -4.102  -2.212
  128   1HB   ASN  18           HB1      ASN  18  -8.006  -6.434  -3.070
  129   2HB   ASN  18           HB2      ASN  18  -8.180  -5.288  -4.377
  130   1HD2  ASN  18          HD21      ASN  18  -4.253  -5.564  -4.223
  131   2HD2  ASN  18          HD22      ASN  18  -5.177  -4.470  -3.317
  132    OH   TYR  19           OH       TYR  19   0.175  -6.167  -1.296
  133    H    TYR  19           HN       TYR  19  -6.488  -2.966  -0.693
  134    HA   TYR  19           HA       TYR  19  -5.178  -5.216   0.797
  135   1HB   TYR  19           HB1      TYR  19  -4.395  -2.335   0.270
  136   2HB   TYR  19           HB2      TYR  19  -3.996  -2.972   1.854
  137    HD1  TYR  19           HD1      TYR  19  -4.024  -4.555  -1.579
  138    HD2  TYR  19           HD2      TYR  19  -1.773  -3.629   1.904
  139    HE1  TYR  19           HE1      TYR  19  -2.130  -5.861  -2.444
  140    HE2  TYR  19           HE2      TYR  19   0.131  -4.916   0.970
  141    HH   TYR  19           HH       TYR  19   0.968  -5.635  -1.183
  142    H    CYS  20           HN       CYS  20  -6.580  -1.979   1.457
  143    HA   CYS  20           HA       CYS  20  -7.418  -2.689   4.114
  144   1HB   CYS  20           HB1      CYS  20  -8.967  -0.680   3.660
  145   2HB   CYS  20           HB2      CYS  20  -7.258  -0.395   3.788
  146    H    ASN  21           HN       ASN  21  -9.521  -1.809   1.377
  147    HA   ASN  21           HA       ASN  21 -11.461  -3.937   2.248
  148   1HB   ASN  21           HB1      ASN  21 -13.202  -2.452   1.117
  149   2HB   ASN  21           HB2      ASN  21 -12.329  -1.602   2.379
  150   1HD2  ASN  21          HD21      ASN  21 -11.921  -0.328  -1.448
  151   2HD2  ASN  21          HD22      ASN  21 -12.935  -1.634  -1.069
  152   1H    PHE   1           HT1      PHE  22   0.214   6.771 -11.673
  153   2H    PHE   1           HT3      PHE  22   0.141   8.388 -11.171
  154   3H    PHE   1           HT2      PHE  22   0.505   8.015 -12.786
  155    HA   PHE   1           HA       PHE  22   2.632   8.035 -12.325
  156   1HB   PHE   1           HB1      PHE  22   3.361   8.674 -10.004
  157   2HB   PHE   1           HB2      PHE  22   2.046   9.696 -10.587
  158    HD1  PHE   1           HD1      PHE  22   2.853   6.800  -8.394
  159    HD2  PHE   1           HD2      PHE  22  -0.103   9.669  -9.460
  160    HE1  PHE   1           HE1      PHE  22   1.529   6.116  -6.478
  161    HE2  PHE   1           HE2      PHE  22  -1.447   8.985  -7.529
  162    HZ   PHE   1           HZ       PHE  22  -0.636   7.214  -6.017
  163    H    VAL   2           HN       VAL  23   4.422   6.918 -10.670
  164    HA   VAL   2           HA       VAL  23   3.608   4.058 -10.480
  165    HB   VAL   2           HB       VAL  23   5.863   3.470 -11.126
  166   1HG1  VAL   2          HG12      VAL  23   4.317   4.138 -12.968
  167   2HG1  VAL   2          HG11      VAL  23   4.910   5.792 -12.851
  168   3HG1  VAL   2          HG13      VAL  23   5.990   4.523 -13.381
  169   1HG2  VAL   2          HG22      VAL  23   6.525   6.431 -10.987
  170   2HG2  VAL   2          HG21      VAL  23   7.099   5.202  -9.875
  171   3HG2  VAL   2          HG23      VAL  23   7.609   5.155 -11.551
  172    H    ASN   3           HN       ASN  24   5.002   2.883  -9.084
  173    HA   ASN   3           HA       ASN  24   5.140   4.106  -6.378
  174   1HB   ASN   3           HB1      ASN  24   4.776   1.314  -7.397
  175   2HB   ASN   3           HB2      ASN  24   4.877   1.656  -5.666
  176   1HD2  ASN   3          HD21      ASN  24   1.410   2.232  -5.617
  177   2HD2  ASN   3          HD22      ASN  24   2.797   1.644  -4.830
  178    H    GLN   4           HN       GLN  25   6.512   2.802  -4.861
  179    HA   GLN   4           HA       GLN  25   9.277   2.238  -5.733
  180   1HB   GLN   4           HB1      GLN  25   9.345   4.588  -5.050
  181   2HB   GLN   4           HB2      GLN  25   8.355   4.286  -3.628
  182   1HG   GLN   4           HG2      GLN  25  10.341   2.848  -2.766
  183   2HG   GLN   4           HG1      GLN  25  11.274   3.513  -4.099
  184   1HE2  GLN   4          HE21      GLN  25  11.056   5.565  -0.744
  185   2HE2  GLN   4          HE22      GLN  25  10.797   3.893  -0.901
  186    H    HIS   5           HN       HIS  26  10.405   1.198  -3.745
  187    HA   HIS   5           HA       HIS  26   8.655  -0.916  -2.748
  188   1HB   HIS   5           HB1      HIS  26  11.533  -0.260  -1.984
  189   2HB   HIS   5           HB2      HIS  26  10.653  -1.648  -1.380
  190    HD1  HIS   5           HD1      HIS  26  11.212  -3.630  -2.663
  191    HD2  HIS   5           HD2      HIS  26  11.324  -0.380  -5.115
  192    HE1  HIS   5           HE1      HIS  26  11.808  -4.472  -4.897
  193    H    LEU   6           HN       LEU  27   8.400  -1.394  -0.553
  194    HA   LEU   6           HA       LEU  27   8.266   0.873   1.375
  195   1HB   LEU   6           HB1      LEU  27   6.179  -1.280   0.706
  196   2HB   LEU   6           HB2      LEU  27   5.989  -0.163   2.034
  197    HG   LEU   6           HG       LEU  27   6.254   0.725  -0.869
  198   1HD1  LEU   6          HD11      LEU  27   3.807   0.572   0.947
  199   2HD1  LEU   6          HD13      LEU  27   3.854   1.292  -0.671
  200   3HD1  LEU   6          HD12      LEU  27   4.064  -0.424  -0.447
  201   1HD2  LEU   6          HD21      LEU  27   7.021   2.389   0.868
  202   2HD2  LEU   6          HD23      LEU  27   5.553   2.898   0.064
  203   3HD2  LEU   6          HD22      LEU  27   5.482   2.213   1.683
  204    H    CYS   7           HN       CYS  28   7.041  -1.008   3.031
  205    HA   CYS   7           HA       CYS  28   7.483  -3.092   4.281
  206   1HB   CYS   7           HB1      CYS  28  10.358  -2.114   4.038
  207   2HB   CYS   7           HB2      CYS  28   9.871  -2.942   5.480
  208    H    GLY   8           HN       GLY  29   7.068  -3.117   6.292
  209   1HA   GLY   8           HA1      GLY  29   5.838  -1.833   7.998
  210   2HA   GLY   8           HA2      GLY  29   7.393  -2.334   8.578
  211    H    SER   9           HN       SER  30   5.418   0.195   7.891
  212    HA   SER   9           HA       SER  30   5.372   2.170   9.189
  213   1HB   SER   9           HB1      SER  30   7.443   3.470   9.739
  214   2HB   SER   9           HB2      SER  30   7.791   1.796  10.180
  215    HG   SER   9           HG1      SER  30   9.343   3.010   8.812
  216    H    HIS  10           HN       HIS  31   7.274   1.524   6.396
  217    HA   HIS  10           HA       HIS  31   6.430   4.158   5.193
  218   1HB   HIS  10           HB1      HIS  31   8.027   1.893   3.907
  219   2HB   HIS  10           HB2      HIS  31   7.466   3.421   3.180
  220    HD1  HIS  10           HD1      HIS  31   8.533   5.613   4.421
  221    HD2  HIS  10           HD2      HIS  31  10.486   2.097   5.166
  222    HE1  HIS  10           HE1      HIS  31  10.744   6.225   5.292
  223    H    LEU  11           HN       LEU  32   5.988   0.737   5.207
  224    HA   LEU  11           HA       LEU  32   4.254   0.385   2.994
  225   1HB   LEU  11           HB1      LEU  32   4.868  -0.982   5.463
  226   2HB   LEU  11           HB2      LEU  32   3.180  -1.288   5.018
  227    HG   LEU  11           HG       LEU  32   5.634  -1.786   3.459
  228   1HD1  LEU  11          HD12      LEU  32   5.264  -3.341   5.371
  229   2HD1  LEU  11          HD11      LEU  32   3.618  -3.639   4.826
  230   3HD1  LEU  11          HD13      LEU  32   4.980  -4.190   3.872
  231   1HD2  LEU  11          HD22      LEU  32   2.686  -2.367   2.836
  232   2HD2  LEU  11          HD21      LEU  32   3.666  -1.231   1.952
  233   3HD2  LEU  11          HD23      LEU  32   4.020  -2.933   1.849
  234    H    VAL  12           HN       VAL  33   3.864   1.067   6.283
  235    HA   VAL  12           HA       VAL  33   1.015   1.533   6.230
  236    HB   VAL  12           HB       VAL  33   2.994   2.053   8.451
  237   1HG1  VAL  12          HG11      VAL  33   0.003   1.437   8.449
  238   2HG1  VAL  12          HG13      VAL  33   0.985   1.651   9.883
  239   3HG1  VAL  12          HG12      VAL  33   0.661   3.014   8.827
  240   1HG2  VAL  12          HG22      VAL  33   1.380  -0.450   7.728
  241   2HG2  VAL  12          HG21      VAL  33   3.121  -0.328   7.614
  242   3HG2  VAL  12          HG23      VAL  33   2.341  -0.265   9.186
  243    H    GLU  13           HN       GLU  34   3.383   3.298   4.890
  244    HA   GLU  13           HA       GLU  34   2.313   5.950   5.656
  245   1HB   GLU  13           HB1      GLU  34   4.890   5.553   5.863
  246   2HB   GLU  13           HB2      GLU  34   4.896   5.240   4.142
  247   1HG   GLU  13           HG2      GLU  34   3.756   7.630   3.962
  248   2HG   GLU  13           HG1      GLU  34   4.471   7.855   5.552
  249    H    ALA  14           HN       ALA  35   2.787   3.426   3.385
  250    HA   ALA  14           HA       ALA  35   1.734   5.068   1.198
  251   1HB   ALA  14           HB2      ALA  35   3.769   3.704   0.752
  252   2HB   ALA  14           HB1      ALA  35   2.871   2.271   1.248
  253   3HB   ALA  14           HB3      ALA  35   2.418   3.135  -0.217
  254    H    LEU  15           HN       LEU  36   0.913   2.851   3.586
  255    HA   LEU  15           HA       LEU  36  -1.474   1.811   2.215
  256   1HB   LEU  15           HB1      LEU  36  -0.139   0.255   3.477
  257   2HB   LEU  15           HB2      LEU  36  -0.138   1.346   4.831
  258    HG   LEU  15           HG       LEU  36  -2.247   0.782   5.580
  259   1HD1  LEU  15          HD12      LEU  36  -3.425   0.808   3.303
  260   2HD1  LEU  15          HD11      LEU  36  -2.751  -0.763   2.946
  261   3HD1  LEU  15          HD13      LEU  36  -3.884  -0.577   4.268
  262   1HD2  LEU  15          HD21      LEU  36  -0.544  -0.998   5.912
  263   2HD2  LEU  15          HD23      LEU  36  -2.119  -1.741   5.743
  264   3HD2  LEU  15          HD22      LEU  36  -0.998  -1.741   4.394
  265    OH   TYR  16           OH       TYR  37  -3.401  10.992   7.661
  266    H    TYR  16           HN       TYR  37  -0.381   4.121   4.521
  267    HA   TYR  16           HA       TYR  37  -3.024   4.874   5.588
  268   1HB   TYR  16           HB1      TYR  37  -1.138   5.306   7.089
  269   2HB   TYR  16           HB2      TYR  37  -0.227   6.098   5.815
  270    HD1  TYR  16           HD2      TYR  37  -0.824   8.337   5.068
  271    HD2  TYR  16           HD1      TYR  37  -2.951   6.523   8.284
  272    HE1  TYR  16           HE2      TYR  37  -1.743  10.511   5.669
  273    HE2  TYR  16           HE1      TYR  37  -3.880   8.723   8.890
  274    HH   TYR  16           HH       TYR  37  -2.978  11.660   7.117
  275    H    LEU  17           HN       LEU  38  -0.929   5.722   3.027
  276    HA   LEU  17           HA       LEU  38  -2.380   8.176   2.293
  277   1HB   LEU  17           HB1      LEU  38   0.149   7.773   2.224
  278   2HB   LEU  17           HB2      LEU  38  -0.209   6.727   0.821
  279    HG   LEU  17           HG       LEU  38  -1.058   8.690  -0.428
  280   1HD1  LEU  17          HD11      LEU  38  -0.233  10.240   2.088
  281   2HD1  LEU  17          HD13      LEU  38  -0.767  10.978   0.568
  282   3HD1  LEU  17          HD12      LEU  38  -1.889  10.051   1.536
  283   1HD2  LEU  17          HD22      LEU  38   1.656   9.108   0.897
  284   2HD2  LEU  17          HD21      LEU  38   1.379   8.107  -0.512
  285   3HD2  LEU  17          HD23      LEU  38   1.175   9.842  -0.630
  286    H    VAL  18           HN       VAL  39  -2.622   4.858   1.659
  287    HA   VAL  18           HA       VAL  39  -3.992   5.381  -0.911
  288    HB   VAL  18           HB       VAL  39  -2.052   3.714  -0.544
  289   1HG1  VAL  18          HG12      VAL  39  -2.996   2.568   1.340
  290   2HG1  VAL  18          HG11      VAL  39  -4.285   1.926   0.339
  291   3HG1  VAL  18          HG13      VAL  39  -2.627   1.434   0.043
  292   1HG2  VAL  18          HG22      VAL  39  -4.551   2.846  -2.060
  293   2HG2  VAL  18          HG21      VAL  39  -3.269   3.851  -2.722
  294   3HG2  VAL  18          HG23      VAL  39  -2.957   2.168  -2.335
  295    H    CYS  19           HN       CYS  40  -4.319   3.786   2.107
  296    HA   CYS  19           HA       CYS  40  -7.290   3.433   1.881
  297   1HB   CYS  19           HB1      CYS  40  -5.197   1.737   3.238
  298   2HB   CYS  19           HB2      CYS  40  -6.932   1.607   3.474
  299    H    GLY  20           HN       GLY  41  -6.343   5.768   2.465
  300   1HA   GLY  20           HA1      GLY  41  -6.206   5.996   5.414
  301   2HA   GLY  20           HA2      GLY  41  -5.759   7.252   4.259
  302    H    GLU  21           HN       GLU  42  -8.415   5.573   5.592
  303    HA   GLU  21           HA       GLU  42 -10.408   6.812   6.397
  304   1HB   GLU  21           HB1      GLU  42  -9.996   8.879   4.969
  305   2HB   GLU  21           HB2      GLU  42 -10.377   7.945   3.531
  306   1HG   GLU  21           HG2      GLU  42 -12.217   9.436   4.285
  307   2HG   GLU  21           HG1      GLU  42 -12.736   7.761   4.219
  308    NH1  ARG  22           NH1      ARG  43 -13.778   8.225  -0.077
  309    NH2  ARG  22           NH2      ARG  43 -15.015   7.368   1.633
  310    H    ARG  22           HN       ARG  43  -9.406   4.981   3.694
  311    HA   ARG  22           HA       ARG  43 -12.093   3.619   3.539
  312   1HB   ARG  22           HB1      ARG  43  -9.907   3.352   1.386
  313   2HB   ARG  22           HB2      ARG  43 -11.574   2.904   1.269
  314   1HG   ARG  22           HG2      ARG  43 -10.555   5.781   1.383
  315   2HG   ARG  22           HG1      ARG  43 -11.347   4.977   0.045
  316   1HD   ARG  22           HD2      ARG  43 -13.483   5.028   1.031
  317   2HD   ARG  22           HD1      ARG  43 -12.873   5.229   2.665
  318    HE   ARG  22           HE       ARG  43 -12.047   7.518   1.796
  319   1HH1  ARG  22          HH12      ARG  43 -12.891   8.332  -0.526
  320   2HH1  ARG  22          HH11      ARG  43 -14.595   8.653  -0.460
  321   1HH2  ARG  22          HH21      ARG  43 -15.068   6.818   2.468
  322   2HH2  ARG  22          HH22      ARG  43 -15.837   7.801   1.267
  323    H    GLY  23           HN       GLY  44 -10.881   2.960   5.613
  324   1HA   GLY  23           HA1      GLY  44 -10.749   0.655   6.427
  325   2HA   GLY  23           HA2      GLY  44  -9.698   0.276   5.103
  326    H    PHE  24           HN       PHE  45  -8.928  -0.641   7.069
  327    HA   PHE  24           HA       PHE  45  -7.563  -0.946   8.897
  328   1HB   PHE  24           HB1      PHE  45  -5.514  -1.360   7.976
  329   2HB   PHE  24           HB2      PHE  45  -6.296  -0.874   6.482
  330    HD1  PHE  24           HD1      PHE  45  -5.939   1.667   5.672
  331    HD2  PHE  24           HD2      PHE  45  -3.850  -0.157   8.942
  332    HE1  PHE  24           HE1      PHE  45  -4.305   3.434   5.648
  333    HE2  PHE  24           HE2      PHE  45  -2.196   1.648   8.880
  334    HZ   PHE  24           HZ       PHE  45  -2.410   3.453   7.216
  335    H    PHE  25           HN       PHE  46  -6.833  -0.261  10.721
  336    HA   PHE  25           HA       PHE  46  -6.056   2.597  11.142
  337   1HB   PHE  25           HB1      PHE  46  -7.918   0.881  12.879
  338   2HB   PHE  25           HB2      PHE  46  -7.305   2.451  13.358
  339    HD1  PHE  25           HD1      PHE  46  -9.211   0.818  10.540
  340    HD2  PHE  25           HD2      PHE  46  -8.517   4.370  12.786
  341    HE1  PHE  25           HE1      PHE  46 -11.034   1.932   9.340
  342    HE2  PHE  25           HE2      PHE  46 -10.342   5.483  11.573
  343    HZ   PHE  25           HZ       PHE  46 -11.599   4.269   9.857
   
 Raw file had 343 H/Q atoms
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1  -3.165  -6.987  -7.658
    2   2H    GLY   1           HT3      GLY   1  -4.136  -6.971  -9.062
    3   3H    GLY   1           HT2      GLY   1  -2.801  -8.010  -8.963
    4   1HA   GLY   1           HA1      GLY   1  -1.499  -6.508  -9.833
    5   2HA   GLY   1           HA2      GLY   1  -2.889  -5.430  -9.971
    6    H    ILE   2           HN       ILE   2  -1.416  -6.709  -7.100
    7    HA   ILE   2           HA       ILE   2  -1.484  -4.790  -5.374
    8    HB   ILE   2           HB       ILE   2   0.817  -5.748  -4.466
    9   1HG1  ILE   2          HG12      ILE   2   0.621  -7.342  -7.071
   10   2HG1  ILE   2          HG11      ILE   2   1.866  -6.163  -6.714
   11   1HG2  ILE   2          HG21      ILE   2  -1.363  -7.695  -5.336
   12   2HG2  ILE   2          HG23      ILE   2  -0.166  -8.000  -4.090
   13   3HG2  ILE   2          HG22      ILE   2  -1.365  -6.744  -3.873
   14   1HD1  ILE   2           HD2      ILE   2   2.672  -7.523  -4.836
   15   2HD1  ILE   2           HD1      ILE   2   1.484  -8.761  -5.224
   16   3HD1  ILE   2           HD3      ILE   2   2.745  -8.367  -6.367
   17    H    VAL   3           HN       VAL   3   1.349  -4.678  -7.396
   18    HA   VAL   3           HA       VAL   3   1.857  -1.900  -6.386
   19    HB   VAL   3           HB       VAL   3   3.639  -3.630  -6.010
   20   1HG1  VAL   3          HG12      VAL   3   3.164  -5.055  -7.951
   21   2HG1  VAL   3          HG11      VAL   3   3.765  -3.808  -9.032
   22   3HG1  VAL   3          HG13      VAL   3   4.865  -4.600  -7.914
   23   1HG2  VAL   3          HG21      VAL   3   4.422  -1.275  -6.304
   24   2HG2  VAL   3          HG23      VAL   3   5.594  -2.446  -6.887
   25   3HG2  VAL   3          HG22      VAL   3   4.615  -1.566  -8.022
   26    H    GLU   4           HN       GLU   4  -0.040  -2.702  -8.403
   27    HA   GLU   4           HA       GLU   4   0.881  -1.055 -10.728
   28   1HB   GLU   4           HB1      GLU   4  -1.632  -2.825 -10.656
   29   2HB   GLU   4           HB2      GLU   4  -0.720  -2.269 -12.059
   30   1HG   GLU   4           HG2      GLU   4   1.134  -3.724 -11.522
   31   2HG   GLU   4           HG1      GLU   4   0.357  -4.323 -10.086
   32    H    GLN   5           HN       GLN   5  -1.752  -2.043  -8.762
   33    HA   GLN   5           HA       GLN   5  -3.615  -0.082  -9.052
   34   1HB   GLN   5           HB1      GLN   5  -3.964  -2.073  -7.718
   35   2HB   GLN   5           HB2      GLN   5  -2.697  -1.617  -6.581
   36   1HG   GLN   5           HG2      GLN   5  -5.023  -1.317  -5.726
   37   2HG   GLN   5           HG1      GLN   5  -4.068   0.133  -5.645
   38   1HE2  GLN   5          HE21      GLN   5  -6.494   1.928  -7.395
   39   2HE2  GLN   5          HE22      GLN   5  -5.307   1.882  -6.195
   40    H    CYS   6           HN       CYS   6  -0.863   0.099  -6.945
   41    HA   CYS   6           HA       CYS   6  -1.352   2.957  -6.394
   42   1HB   CYS   6           HB1      CYS   6   0.246   0.856  -4.999
   43   2HB   CYS   6           HB2      CYS   6   0.228   2.548  -4.523
   44    H    CYS   7           HN       CYS   7   0.724   1.525  -8.583
   45    HA   CYS   7           HA       CYS   7   2.703   3.754  -8.136
   46   1HB   CYS   7           HB1      CYS   7   3.849   1.643  -7.899
   47   2HB   CYS   7           HB2      CYS   7   3.050   0.993  -9.317
   48    H    THR   8           HN       THR   8   0.543   1.973 -10.053
   49    HA   THR   8           HA       THR   8   0.887   3.684 -12.407
   50    HB   THR   8           HB       THR   8  -0.695   1.033 -12.078
   51    HG1  THR   8           HG1      THR   8   1.589   0.953 -13.524
   52   1HG2  THR   8          HG21      THR   8   0.432   2.368 -14.609
   53   2HG2  THR   8          HG23      THR   8  -0.504   0.879 -14.514
   54   3HG2  THR   8          HG22      THR   8  -1.274   2.412 -14.170
   55    H    SER   9           HN       SER   9   0.083   4.949 -10.441
   56    HA   SER   9           HA       SER   9  -2.004   6.512 -10.626
   57   1HB   SER   9           HB1      SER   9  -3.716   4.682 -10.939
   58   2HB   SER   9           HB2      SER   9  -3.243   3.946  -9.408
   59    HG   SER   9           HG1      SER   9  -3.792   6.645  -9.329
   60    H    ILE  10           HN       ILE  10  -2.971   7.160  -8.372
   61    HA   ILE  10           HA       ILE  10  -0.774   7.131  -6.404
   62    HB   ILE  10           HB       ILE  10  -3.445   8.608  -6.164
   63   1HG1  ILE  10          HG12      ILE  10  -2.568   9.429  -8.239
   64   2HG1  ILE  10          HG11      ILE  10  -2.261  10.645  -7.027
   65   1HG2  ILE  10          HG22      ILE  10  -2.172   8.519  -4.063
   66   2HG2  ILE  10          HG21      ILE  10  -0.771   9.196  -4.877
   67   3HG2  ILE  10          HG23      ILE  10  -2.229  10.149  -4.694
   68   1HD1  ILE  10           HD2      ILE  10   0.126   9.871  -6.831
   69   2HD1  ILE  10           HD1      ILE  10  -0.199   8.647  -8.033
   70   3HD1  ILE  10           HD3      ILE  10  -0.258  10.347  -8.473
   71    H    CYS  11           HN       CYS  11  -3.946   5.932  -6.919
   72    HA   CYS  11           HA       CYS  11  -5.354   4.437  -5.811
   73   1HB   CYS  11           HB1      CYS  11  -4.119   2.457  -5.042
   74   2HB   CYS  11           HB2      CYS  11  -3.054   3.394  -5.932
   75    H    SER  12           HN       SER  12  -5.661   3.539  -3.280
   76    HA   SER  12           HA       SER  12  -5.725   6.034  -1.614
   77   1HB   SER  12           HB1      SER  12  -7.929   5.449  -0.852
   78   2HB   SER  12           HB2      SER  12  -7.978   5.175  -2.583
   79    HG   SER  12           HG1      SER  12  -7.007   2.993  -1.311
   80    H    LEU  13           HN       LEU  13  -6.713   4.988   0.582
   81    HA   LEU  13           HA       LEU  13  -4.511   3.336   1.674
   82   1HB   LEU  13           HB1      LEU  13  -4.772   5.726   2.349
   83   2HB   LEU  13           HB2      LEU  13  -6.434   5.409   2.811
   84    HG   LEU  13           HG       LEU  13  -5.422   3.719   4.482
   85   1HD1  LEU  13          HD12      LEU  13  -3.044   3.843   3.586
   86   2HD1  LEU  13          HD11      LEU  13  -2.999   5.536   4.016
   87   3HD1  LEU  13          HD13      LEU  13  -3.115   4.340   5.280
   88   1HD2  LEU  13          HD21      LEU  13  -6.537   5.860   5.109
   89   2HD2  LEU  13          HD23      LEU  13  -5.160   5.583   6.162
   90   3HD2  LEU  13          HD22      LEU  13  -5.043   6.739   4.855
   91    OH   TYR  14           OH       TYR  14 -13.103  -2.850   0.813
   92    H    TYR  14           HN       TYR  14  -7.531   3.010   0.687
   93    HA   TYR  14           HA       TYR  14  -8.501   1.107   2.758
   94   1HB   TYR  14           HB1      TYR  14 -10.278   2.541   1.847
   95   2HB   TYR  14           HB2      TYR  14  -9.746   2.258   0.217
   96    HD1  TYR  14           HD2      TYR  14 -11.072   0.412   3.201
   97    HD2  TYR  14           HD1      TYR  14 -10.594   0.446  -1.022
   98    HE1  TYR  14           HE2      TYR  14 -12.470  -1.594   3.029
   99    HE2  TYR  14           HE1      TYR  14 -11.991  -1.575  -1.201
  100    HH   TYR  14           HH       TYR  14 -13.718  -2.729   0.086
  101    H    GLN  15           HN       GLN  15  -8.021   1.536  -0.637
  102    HA   GLN  15           HA       GLN  15  -8.071  -1.031  -1.674
  103   1HB   GLN  15           HB1      GLN  15  -6.001   1.152  -2.321
  104   2HB   GLN  15           HB2      GLN  15  -6.153  -0.303  -3.271
  105   1HG   GLN  15           HG2      GLN  15  -8.380   1.772  -2.951
  106   2HG   GLN  15           HG1      GLN  15  -7.252   1.669  -4.290
  107   1HE2  GLN  15          HE21      GLN  15  -8.975  -1.730  -4.935
  108   2HE2  GLN  15          HE22      GLN  15  -7.507  -1.477  -4.131
  109    H    LEU  16           HN       LEU  16  -5.379   0.651  -0.342
  110    HA   LEU  16           HA       LEU  16  -3.465  -1.350  -0.246
  111   1HB   LEU  16           HB1      LEU  16  -3.394   1.199   0.031
  112   2HB   LEU  16           HB2      LEU  16  -3.705   0.925   1.736
  113    HG   LEU  16           HG       LEU  16  -1.532  -0.181   2.006
  114   1HD1  LEU  16          HD11      LEU  16  -1.239  -0.099  -1.057
  115   2HD1  LEU  16          HD13      LEU  16  -0.018  -0.654   0.062
  116   3HD1  LEU  16          HD12      LEU  16  -1.484  -1.577  -0.140
  117   1HD2  LEU  16          HD22      LEU  16  -1.268   2.106   0.005
  118   2HD2  LEU  16          HD21      LEU  16  -1.435   2.309   1.744
  119   3HD2  LEU  16          HD23      LEU  16   0.000   1.545   1.053
  120    H    GLU  17           HN       GLU  17  -5.980  -0.814   2.068
  121    HA   GLU  17           HA       GLU  17  -4.894  -2.370   4.252
  122   1HB   GLU  17           HB1      GLU  17  -7.836  -2.149   3.488
  123   2HB   GLU  17           HB2      GLU  17  -7.235  -2.913   4.943
  124   1HG   GLU  17           HG2      GLU  17  -6.242  -0.796   5.674
  125   2HG   GLU  17           HG1      GLU  17  -6.901  -0.035   4.222
  126    H    ASN  18           HN       ASN  18  -6.891  -3.190   1.587
  127    HA   ASN  18           HA       ASN  18  -7.352  -5.954   2.055
  128   1HB   ASN  18           HB1      ASN  18  -7.273  -4.591  -0.665
  129   2HB   ASN  18           HB2      ASN  18  -8.173  -6.029  -0.230
  130   1HD2  ASN  18          HD21      ASN  18 -11.019  -4.109   0.533
  131   2HD2  ASN  18          HD22      ASN  18 -10.354  -5.541  -0.078
  132    OH   TYR  19           OH       TYR  19  -2.832  -2.681  -4.136
  133    H    TYR  19           HN       TYR  19  -4.423  -5.153   2.128
  134    HA   TYR  19           HA       TYR  19  -3.338  -7.099   0.141
  135   1HB   TYR  19           HB1      TYR  19  -1.971  -4.795   1.576
  136   2HB   TYR  19           HB2      TYR  19  -1.130  -6.046   0.664
  137    HD1  TYR  19           HD1      TYR  19  -4.130  -3.833   0.029
  138    HD2  TYR  19           HD2      TYR  19  -0.484  -5.470  -1.458
  139    HE1  TYR  19           HE1      TYR  19  -4.424  -2.639  -2.099
  140    HE2  TYR  19           HE2      TYR  19  -0.798  -4.280  -3.546
  141    HH   TYR  19           HH       TYR  19  -1.985  -2.590  -4.574
  142    H    CYS  20           HN       CYS  20  -3.565  -6.366   3.614
  143    HA   CYS  20           HA       CYS  20  -1.721  -8.577   4.233
  144   1HB   CYS  20           HB1      CYS  20  -2.040  -7.823   6.577
  145   2HB   CYS  20           HB2      CYS  20  -1.375  -6.637   5.517
  146    H    ASN  21           HN       ASN  21  -2.355  -9.796   6.079
  147    HA   ASN  21           HA       ASN  21  -3.849 -11.927   5.780
  148   1HB   ASN  21           HB1      ASN  21  -2.672 -11.349   7.882
  149   2HB   ASN  21           HB2      ASN  21  -4.026 -10.349   8.372
  150   1HD2  ASN  21          HD21      ASN  21  -5.972 -13.119   9.429
  151   2HD2  ASN  21          HD22      ASN  21  -5.868 -11.434   9.229
  152   1H    PHE   1           HT1      PHE  22  -2.051  10.426   5.076
  153   2H    PHE   1           HT3      PHE  22  -3.349   9.333   5.070
  154   3H    PHE   1           HT2      PHE  22  -1.889   8.912   5.836
  155    HA   PHE   1           HA       PHE  22  -1.117   8.045   3.986
  156   1HB   PHE   1           HB1      PHE  22  -3.675   7.686   3.530
  157   2HB   PHE   1           HB2      PHE  22  -3.596   9.120   2.529
  158    HD1  PHE   1           HD2      PHE  22  -1.239   6.197   2.819
  159    HD2  PHE   1           HD1      PHE  22  -3.875   8.443   0.321
  160    HE1  PHE   1           HE2      PHE  22  -0.599   4.840   0.886
  161    HE2  PHE   1           HE1      PHE  22  -3.210   7.078  -1.602
  162    HZ   PHE   1           HZ       PHE  22  -1.575   5.257  -1.313
  163    H    VAL   2           HN       VAL  23  -0.704   8.634   1.523
  164    HA   VAL   2           HA       VAL  23  -0.006  11.520   1.266
  165    HB   VAL   2           HB       VAL  23   1.973  10.422   1.884
  166   1HG1  VAL   2          HG12      VAL  23   1.329   8.051   1.448
  167   2HG1  VAL   2          HG11      VAL  23   1.428   8.333  -0.282
  168   3HG1  VAL   2          HG13      VAL  23   2.882   8.389   0.694
  169   1HG2  VAL   2          HG21      VAL  23   2.396  11.982   0.131
  170   2HG2  VAL   2          HG23      VAL  23   3.501  10.629   0.005
  171   3HG2  VAL   2          HG22      VAL  23   2.151  10.748  -1.107
  172    H    ASN   3           HN       ASN  24   0.429  12.083  -0.825
  173    HA   ASN   3           HA       ASN  24  -1.312  10.739  -2.888
  174   1HB   ASN   3           HB1      ASN  24  -0.827  13.715  -2.438
  175   2HB   ASN   3           HB2      ASN  24  -1.572  13.114  -3.905
  176   1HD2  ASN   3          HD21      ASN  24  -4.081  12.098  -0.920
  177   2HD2  ASN   3          HD22      ASN  24  -2.600  11.295  -1.117
  178    H    GLN   4           HN       GLN  25   0.950   9.714  -2.990
  179    HA   GLN   4           HA       GLN  25   2.366  10.776  -5.387
  180   1HB   GLN   4           HB1      GLN  25   3.631  11.247  -3.123
  181   2HB   GLN   4           HB2      GLN  25   3.788   9.501  -2.959
  182   1HG   GLN   4           HG2      GLN  25   4.915   9.766  -5.436
  183   2HG   GLN   4           HG1      GLN  25   5.122  11.407  -4.870
  184   1HE2  GLN   4          HE21      GLN  25   7.773   8.733  -3.705
  185   2HE2  GLN   4          HE22      GLN  25   6.775   8.594  -5.072
  186    H    HIS   5           HN       HIS  26   3.805   8.689  -6.090
  187    HA   HIS   5           HA       HIS  26   1.880   6.436  -6.249
  188   1HB   HIS   5           HB1      HIS  26   4.532   7.060  -7.683
  189   2HB   HIS   5           HB2      HIS  26   3.614   5.598  -7.979
  190    HD1  HIS   5           HD1      HIS  26   1.381   5.862  -9.205
  191    HD2  HIS   5           HD2      HIS  26   3.310   9.426  -8.746
  192    HE1  HIS   5           HE1      HIS  26   0.212   7.477 -10.676
  193    H    LEU   6           HN       LEU  27   2.808   4.269  -5.913
  194    HA   LEU   6           HA       LEU  27   4.768   4.266  -3.715
  195   1HB   LEU   6           HB1      LEU  27   2.286   2.514  -4.044
  196   2HB   LEU   6           HB2      LEU  27   3.433   2.366  -2.713
  197    HG   LEU   6           HG       LEU  27   1.854   4.887  -3.211
  198   1HD1  LEU   6          HD11      LEU  27   1.366   2.604  -1.250
  199   2HD1  LEU   6          HD13      LEU  27   0.499   4.131  -1.288
  200   3HD1  LEU   6          HD12      LEU  27   0.351   3.004  -2.614
  201   1HD2  LEU   6          HD22      LEU  27   3.479   3.864  -0.835
  202   2HD2  LEU   6          HD21      LEU  27   3.999   5.130  -1.926
  203   3HD2  LEU   6          HD23      LEU  27   2.601   5.384  -0.898
  204    H    CYS   7           HN       CYS  28   5.160   3.581  -6.445
  205    HA   CYS   7           HA       CYS  28   5.693   1.009  -7.159
  206   1HB   CYS   7           HB1      CYS  28   7.809   3.160  -7.311
  207   2HB   CYS   7           HB2      CYS  28   7.565   1.839  -8.425
  208    H    GLY   8           HN       GLY  29   6.415  -0.615  -6.226
  209   1HA   GLY   8           HA1      GLY  29   7.192  -1.755  -4.191
  210   2HA   GLY   8           HA2      GLY  29   8.436  -1.811  -5.409
  211    H    SER   9           HN       SER  30   7.685  -1.061  -2.381
  212    HA   SER   9           HA       SER  30   9.386  -1.003  -0.646
  213   1HB   SER   9           HB1      SER  30  11.275   0.581  -0.771
  214   2HB   SER   9           HB2      SER  30  11.349  -0.384  -2.236
  215    HG   SER   9           HG1      SER  30   9.768   1.615  -2.841
  216    H    HIS  10           HN       HIS  31   8.190   1.594  -2.573
  217    HA   HIS  10           HA       HIS  31   7.802   3.335  -0.204
  218   1HB   HIS  10           HB1      HIS  31   6.384   3.508  -2.872
  219   2HB   HIS  10           HB2      HIS  31   6.281   4.607  -1.457
  220    HD1  HIS  10           HD1      HIS  31   8.865   3.254  -3.824
  221    HD2  HIS  10           HD2      HIS  31   8.250   6.661  -1.656
  222    HE1  HIS  10           HE1      HIS  31  10.723   4.775  -4.391
  223    H    LEU  11           HN       LEU  32   6.042   1.049  -2.145
  224    HA   LEU  11           HA       LEU  32   3.417   1.271  -1.124
  225   1HB   LEU  11           HB1      LEU  32   5.021  -0.713  -2.416
  226   2HB   LEU  11           HB2      LEU  32   3.951  -1.557  -1.289
  227    HG   LEU  11           HG       LEU  32   3.281   0.342  -3.516
  228   1HD1  LEU  11          HD11      LEU  32   2.954  -2.700  -3.175
  229   2HD1  LEU  11          HD13      LEU  32   2.343  -1.787  -4.529
  230   3HD1  LEU  11          HD12      LEU  32   4.071  -1.898  -4.271
  231   1HD2  LEU  11          HD22      LEU  32   1.454  -1.283  -1.659
  232   2HD2  LEU  11          HD21      LEU  32   1.602   0.459  -1.630
  233   3HD2  LEU  11          HD23      LEU  32   0.875  -0.322  -3.009
  234    H    VAL  12           HN       VAL  33   6.007  -0.622  -0.195
  235    HA   VAL  12           HA       VAL  33   5.163  -1.827   2.201
  236    HB   VAL  12           HB       VAL  33   7.983  -1.086   1.220
  237   1HG1  VAL  12          HG11      VAL  33   7.239  -3.145   3.309
  238   2HG1  VAL  12          HG13      VAL  33   8.823  -2.947   2.582
  239   3HG1  VAL  12          HG12      VAL  33   8.152  -1.682   3.597
  240   1HG2  VAL  12          HG22      VAL  33   6.324  -3.593   0.851
  241   2HG2  VAL  12          HG21      VAL  33   6.745  -2.430  -0.390
  242   3HG2  VAL  12          HG23      VAL  33   8.001  -3.409   0.348
  243    H    GLU  13           HN       GLU  34   5.543   1.559   1.755
  244    HA   GLU  13           HA       GLU  34   6.261   1.984   4.612
  245   1HB   GLU  13           HB1      GLU  34   6.021   4.070   2.362
  246   2HB   GLU  13           HB2      GLU  34   6.700   4.321   3.953
  247   1HG   GLU  13           HG2      GLU  34   7.772   2.477   1.839
  248   2HG   GLU  13           HG1      GLU  34   8.484   4.038   2.163
  249    H    ALA  14           HN       ALA  35   4.116   2.354   1.978
  250    HA   ALA  14           HA       ALA  35   2.083   3.757   3.442
  251   1HB   ALA  14           HB1      ALA  35   2.151   2.544   0.666
  252   2HB   ALA  14           HB3      ALA  35   0.860   3.549   1.241
  253   3HB   ALA  14           HB2      ALA  35   2.459   4.244   1.045
  254    H    LEU  15           HN       LEU  36   3.076   0.638   2.914
  255    HA   LEU  15           HA       LEU  36   0.501  -0.711   3.471
  256   1HB   LEU  15           HB1      LEU  36   1.790  -1.280   1.483
  257   2HB   LEU  15           HB2      LEU  36   3.203  -1.533   2.456
  258    HG   LEU  15           HG       LEU  36   2.383  -3.395   3.536
  259   1HD1  LEU  15          HD11      LEU  36  -0.183  -3.097   1.857
  260   2HD1  LEU  15          HD13      LEU  36   0.164  -4.464   2.903
  261   3HD1  LEU  15          HD12      LEU  36  -0.115  -2.883   3.600
  262   1HD2  LEU  15          HD22      LEU  36   1.944  -3.530   0.535
  263   2HD2  LEU  15          HD21      LEU  36   3.470  -3.730   1.380
  264   3HD2  LEU  15          HD23      LEU  36   2.208  -4.940   1.550
  265    OH   TYR  16           OH       TYR  37   6.304   2.498  11.745
  266    H    TYR  16           HN       TYR  37   3.182   0.514   4.898
  267    HA   TYR  16           HA       TYR  37   3.382  -1.344   7.180
  268   1HB   TYR  16           HB1      TYR  37   5.588  -0.715   6.534
  269   2HB   TYR  16           HB2      TYR  37   5.083   0.867   5.972
  270    HD1  TYR  16           HD2      TYR  37   4.702   2.730   7.534
  271    HD2  TYR  16           HD1      TYR  37   6.058  -1.068   8.972
  272    HE1  TYR  16           HE2      TYR  37   5.274   3.739   9.664
  273    HE2  TYR  16           HE1      TYR  37   6.622  -0.032  11.113
  274    HH   TYR  16           HH       TYR  37   5.769   2.060  12.413
  275    H    LEU  17           HN       LEU  38   2.229   1.640   6.024
  276    HA   LEU  17           HA       LEU  38   1.673   2.919   8.585
  277   1HB   LEU  17           HB1      LEU  38   2.217   4.153   6.442
  278   2HB   LEU  17           HB2      LEU  38   0.729   3.503   5.744
  279    HG   LEU  17           HG       LEU  38  -0.607   4.754   7.391
  280   1HD1  LEU  17          HD11      LEU  38   2.102   5.858   8.282
  281   2HD1  LEU  17          HD13      LEU  38   0.540   6.465   8.823
  282   3HD1  LEU  17          HD12      LEU  38   1.053   4.858   9.275
  283   1HD2  LEU  17          HD22      LEU  38   1.469   6.424   5.904
  284   2HD2  LEU  17          HD21      LEU  38  -0.042   5.828   5.234
  285   3HD2  LEU  17          HD23      LEU  38  -0.067   7.027   6.515
  286    H    VAL  18           HN       VAL  39   0.328   1.003   6.190
  287    HA   VAL  18           HA       VAL  39  -2.390   0.921   7.222
  288    HB   VAL  18           HB       VAL  39  -0.936   0.214   4.731
  289   1HG1  VAL  18          HG11      VAL  39  -3.778  -0.573   5.277
  290   2HG1  VAL  18          HG13      VAL  39  -2.998  -0.558   3.699
  291   3HG1  VAL  18          HG12      VAL  39  -2.426  -1.653   4.945
  292   1HG2  VAL  18          HG22      VAL  39  -3.336   1.977   5.349
  293   2HG2  VAL  18          HG21      VAL  39  -1.691   2.533   5.077
  294   3HG2  VAL  18          HG23      VAL  39  -2.593   1.786   3.770
  295    H    CYS  19           HN       CYS  40  -0.026  -1.569   6.463
  296    HA   CYS  19           HA       CYS  40  -1.515  -3.413   8.281
  297   1HB   CYS  19           HB1      CYS  40  -0.414  -4.108   5.558
  298   2HB   CYS  19           HB2      CYS  40  -0.982  -5.211   6.816
  299    H    GLY  20           HN       GLY  41   1.049  -1.808   8.546
  300   1HA   GLY  20           HA1      GLY  41   2.986  -3.965   8.630
  301   2HA   GLY  20           HA2      GLY  41   3.295  -2.336   9.118
  302    H    GLU  21           HN       GLU  42   0.751  -4.251  10.368
  303    HA   GLU  21           HA       GLU  42   2.157  -4.494  12.953
  304   1HB   GLU  21           HB1      GLU  42   0.160  -3.709  14.162
  305   2HB   GLU  21           HB2      GLU  42   0.358  -2.584  12.853
  306   1HG   GLU  21           HG2      GLU  42  -1.591  -4.944  12.838
  307   2HG   GLU  21           HG1      GLU  42  -2.009  -3.257  13.032
  308    NH1  ARG  22           NH1      ARG  43  -0.516 -13.396   9.985
  309    NH2  ARG  22           NH2      ARG  43  -1.477 -13.365  12.053
  310    H    ARG  22           HN       ARG  43   1.106  -5.933  10.507
  311    HA   ARG  22           HA       ARG  43   0.429  -8.484  11.910
  312   1HB   ARG  22           HB1      ARG  43  -1.726  -7.648  10.731
  313   2HB   ARG  22           HB2      ARG  43  -0.797  -7.453   9.280
  314   1HG   ARG  22           HG2      ARG  43  -2.134  -9.520   9.247
  315   2HG   ARG  22           HG1      ARG  43  -0.423  -9.912   9.160
  316   1HD   ARG  22           HD2      ARG  43  -0.445 -10.558  11.550
  317   2HD   ARG  22           HD1      ARG  43  -2.092  -9.976  11.725
  318    HE   ARG  22           HE       ARG  43  -2.745 -11.775  10.050
  319   1HH1  ARG  22          HH12      ARG  43  -0.401 -12.973   9.090
  320   2HH1  ARG  22          HH11      ARG  43  -0.036 -14.245  10.201
  321   1HH2  ARG  22          HH22      ARG  43  -2.093 -12.918  12.702
  322   2HH2  ARG  22          HH21      ARG  43  -1.001 -14.208  12.307
  323    H    GLY  23           HN       GLY  44   1.427  -6.701   9.195
  324   1HA   GLY  23           HA1      GLY  44   3.525  -6.886   8.035
  325   2HA   GLY  23           HA2      GLY  44   3.600  -8.614   8.421
  326    H    PHE  24           HN       PHE  45   3.730  -7.432   5.940
  327    HA   PHE  24           HA       PHE  45   1.415  -8.690   4.511
  328   1HB   PHE  24           HB1      PHE  45   1.877  -6.705   2.790
  329   2HB   PHE  24           HB2      PHE  45   0.970  -6.343   4.249
  330    HD1  PHE  24           HD2      PHE  45   4.218  -6.093   2.618
  331    HD2  PHE  24           HD1      PHE  45   1.958  -4.955   6.067
  332    HE1  PHE  24           HE2      PHE  45   5.960  -4.546   3.223
  333    HE2  PHE  24           HE1      PHE  45   3.752  -3.382   6.681
  334    HZ   PHE  24           HZ       PHE  45   5.746  -3.157   5.273
  335    H    PHE  25           HN       PHE  46   4.729  -7.521   4.424
  336    HA   PHE  25           HA       PHE  46   5.565  -9.907   2.851
  337   1HB   PHE  25           HB1      PHE  46   5.392  -7.725   1.439
  338   2HB   PHE  25           HB2      PHE  46   6.745  -7.110   2.387
  339    HD1  PHE  25           HD1      PHE  46   8.911  -8.673   2.487
  340    HD2  PHE  25           HD2      PHE  46   5.816  -9.136  -0.416
  341    HE1  PHE  25           HE1      PHE  46  10.421  -9.978   1.081
  342    HE2  PHE  25           HE2      PHE  46   7.334 -10.444  -1.816
  343    HZ   PHE  25           HZ       PHE  46   9.643 -10.876  -1.077
   
 Raw file had 343 H/Q atoms
  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1  11.353   4.427   2.261
    2   2H    GLY   1           HT3      GLY   1  12.113   3.173   1.390
    3   3H    GLY   1           HT2      GLY   1  11.715   4.634   0.610
    4   1HA   GLY   1           HA1      GLY   1   9.769   3.845   0.039
    5   2HA   GLY   1           HA2      GLY   1  10.167   2.325   0.851
    6    H    ILE   2           HN       ILE   2   7.712   2.819   0.899
    7    HA   ILE   2           HA       ILE   2   6.945   4.014   3.546
    8    HB   ILE   2           HB       ILE   2   5.188   3.270   1.111
    9   1HG1  ILE   2          HG12      ILE   2   6.606   5.069   0.311
   10   2HG1  ILE   2          HG11      ILE   2   4.965   5.648   0.535
   11   1HG2  ILE   2          HG22      ILE   2   3.946   3.351   3.208
   12   2HG2  ILE   2          HG21      ILE   2   4.479   4.992   3.494
   13   3HG2  ILE   2          HG23      ILE   2   3.458   4.641   2.113
   14   1HD1  ILE   2           HD2      ILE   2   5.592   6.673   2.709
   15   2HD1  ILE   2           HD1      ILE   2   7.243   6.095   2.469
   16   3HD1  ILE   2           HD3      ILE   2   6.560   7.302   1.396
   17    H    VAL   3           HN       VAL   3   8.217   1.961   4.058
   18    HA   VAL   3           HA       VAL   3   6.445  -0.424   3.897
   19    HB   VAL   3           HB       VAL   3   8.868  -0.595   3.103
   20   1HG1  VAL   3          HG12      VAL   3   9.937   0.850   4.826
   21   2HG1  VAL   3          HG11      VAL   3   9.514  -0.309   6.076
   22   3HG1  VAL   3          HG13      VAL   3  10.655  -0.746   4.808
   23   1HG2  VAL   3          HG21      VAL   3   7.586  -2.599   3.787
   24   2HG2  VAL   3          HG23      VAL   3   9.273  -2.778   4.221
   25   3HG2  VAL   3          HG22      VAL   3   8.088  -2.385   5.453
   26    H    GLU   4           HN       GLU   4   7.644   1.943   6.039
   27    HA   GLU   4           HA       GLU   4   6.932   0.307   8.376
   28   1HB   GLU   4           HB1      GLU   4   7.868   2.408   9.645
   29   2HB   GLU   4           HB2      GLU   4   9.012   1.554   8.635
   30   1HG   GLU   4           HG2      GLU   4   8.725   3.176   6.806
   31   2HG   GLU   4           HG1      GLU   4   7.435   4.005   7.644
   32    H    GLN   5           HN       GLN   5   5.034   1.434   6.532
   33    HA   GLN   5           HA       GLN   5   3.251   2.831   8.474
   34   1HB   GLN   5           HB1      GLN   5   3.555   4.247   6.632
   35   2HB   GLN   5           HB2      GLN   5   3.537   2.910   5.471
   36   1HG   GLN   5           HG2      GLN   5   1.172   2.615   5.708
   37   2HG   GLN   5           HG1      GLN   5   1.075   3.706   7.088
   38   1HE2  GLN   5          HE21      GLN   5   1.503   5.176   3.284
   39   2HE2  GLN   5          HE22      GLN   5   1.919   3.572   3.628
   40    H    CYS   6           HN       CYS   6   3.227   0.515   5.916
   41    HA   CYS   6           HA       CYS   6   0.709  -0.774   6.929
   42   1HB   CYS   6           HB1      CYS   6   2.053  -1.296   4.262
   43   2HB   CYS   6           HB2      CYS   6   0.414  -1.717   4.777
   44    H    CYS   7           HN       CYS   7   3.971  -1.417   7.271
   45    HA   CYS   7           HA       CYS   7   3.360  -4.326   7.491
   46   1HB   CYS   7           HB1      CYS   7   4.873  -4.421   5.881
   47   2HB   CYS   7           HB2      CYS   7   5.646  -2.892   6.163
   48    H    THR   8           HN       THR   8   4.122  -1.412   8.842
   49    HA   THR   8           HA       THR   8   4.988  -2.679  11.369
   50    HB   THR   8           HB       THR   8   5.718   0.180  10.492
   51    HG1  THR   8           HG1      THR   8   6.512  -2.058   9.372
   52   1HG2  THR   8          HG22      THR   8   6.049  -0.531  12.940
   53   2HG2  THR   8          HG21      THR   8   7.105  -1.802  12.372
   54   3HG2  THR   8          HG23      THR   8   7.546  -0.132  12.106
   55    H    SER   9           HN       SER   9   2.628  -2.805  11.051
   56    HA   SER   9           HA       SER   9   0.754  -2.383  12.623
   57   1HB   SER   9           HB1      SER   9   1.306   0.594  11.979
   58   2HB   SER   9           HB2      SER   9  -0.061  -0.026  12.915
   59    HG   SER   9           HG1      SER   9   2.503   0.277  13.686
   60    H    ILE  10           HN       ILE  10  -1.531  -1.642  11.699
   61    HA   ILE  10           HA       ILE  10  -1.496  -2.259   8.845
   62    HB   ILE  10           HB       ILE  10  -4.049  -1.445  10.264
   63   1HG1  ILE  10          HG12      ILE  10  -3.097  -2.873  12.005
   64   2HG1  ILE  10          HG11      ILE  10  -4.368  -3.722  11.166
   65   1HG2  ILE  10          HG21      ILE  10  -3.396  -3.599   8.301
   66   2HG2  ILE  10          HG23      ILE  10  -4.969  -3.194   8.978
   67   3HG2  ILE  10          HG22      ILE  10  -4.105  -2.029   7.966
   68   1HD1  ILE  10           HD2      ILE  10  -2.632  -4.964   9.836
   69   2HD1  ILE  10           HD1      ILE  10  -1.384  -4.109  10.705
   70   3HD1  ILE  10           HD3      ILE  10  -2.461  -5.201  11.557
   71    H    CYS  11           HN       CYS  11  -2.299  -0.976   7.379
   72    HA   CYS  11           HA       CYS  11  -2.461   2.004   7.812
   73   1HB   CYS  11           HB1      CYS  11  -0.868   2.292   5.999
   74   2HB   CYS  11           HB2      CYS  11  -0.462   0.792   6.657
   75    H    SER  12           HN       SER  12  -3.639   2.956   5.643
   76    HA   SER  12           HA       SER  12  -6.034   1.210   5.118
   77   1HB   SER  12           HB1      SER  12  -7.392   3.258   5.051
   78   2HB   SER  12           HB2      SER  12  -6.469   3.265   6.539
   79    HG   SER  12           HG1      SER  12  -5.261   4.820   5.807
   80    H    LEU  13           HN       LEU  13  -7.232   1.988   3.221
   81    HA   LEU  13           HA       LEU  13  -5.619   1.611   0.885
   82   1HB   LEU  13           HB1      LEU  13  -8.512   2.645   0.932
   83   2HB   LEU  13           HB2      LEU  13  -7.715   1.776  -0.374
   84    HG   LEU  13           HG       LEU  13  -8.097   0.500   2.359
   85   1HD1  LEU  13          HD12      LEU  13 -10.350   1.147   1.473
   86   2HD1  LEU  13          HD11      LEU  13 -10.003   0.312  -0.038
   87   3HD1  LEU  13          HD13      LEU  13 -10.146  -0.593   1.460
   88   1HD2  LEU  13          HD21      LEU  13  -6.488  -0.610   0.762
   89   2HD2  LEU  13          HD23      LEU  13  -7.899  -1.601   1.063
   90   3HD2  LEU  13          HD22      LEU  13  -7.769  -0.721  -0.440
   91    OH   TYR  14           OH       TYR  14  -5.373  12.124  -0.704
   92    H    TYR  14           HN       TYR  14  -6.410   4.485   2.547
   93    HA   TYR  14           HA       TYR  14  -6.003   6.119   0.095
   94   1HB   TYR  14           HB1      TYR  14  -7.585   6.951   1.965
   95   2HB   TYR  14           HB2      TYR  14  -6.166   7.220   2.932
   96    HD1  TYR  14           HD2      TYR  14  -6.885   7.861  -0.777
   97    HD2  TYR  14           HD1      TYR  14  -5.513   9.473   2.947
   98    HE1  TYR  14           HE2      TYR  14  -6.389  10.001  -1.855
   99    HE2  TYR  14           HE1      TYR  14  -5.015  11.582   1.834
  100    HH   TYR  14           HH       TYR  14  -5.170  12.786  -0.039
  101    H    GLN  15           HN       GLN  15  -4.670   5.468   3.254
  102    HA   GLN  15           HA       GLN  15  -2.209   6.943   2.887
  103   1HB   GLN  15           HB1      GLN  15  -2.622   4.418   4.595
  104   2HB   GLN  15           HB2      GLN  15  -1.330   5.587   4.765
  105   1HG   GLN  15           HG2      GLN  15  -2.917   7.385   5.340
  106   2HG   GLN  15           HG1      GLN  15  -4.277   6.293   5.183
  107   1HE2  GLN  15          HE21      GLN  15  -2.648   6.546   8.735
  108   2HE2  GLN  15          HE22      GLN  15  -2.649   7.743   7.534
  109    H    LEU  16           HN       LEU  16  -3.421   4.188   1.498
  110    HA   LEU  16           HA       LEU  16  -0.848   3.075   0.590
  111   1HB   LEU  16           HB1      LEU  16  -2.724   1.673   1.589
  112   2HB   LEU  16           HB2      LEU  16  -3.680   2.113   0.191
  113    HG   LEU  16           HG       LEU  16  -2.020   0.920  -1.256
  114   1HD1  LEU  16          HD11      LEU  16  -0.772  -0.029   1.369
  115   2HD1  LEU  16          HD13      LEU  16  -0.376  -0.618  -0.234
  116   3HD1  LEU  16          HD12      LEU  16   0.001   1.025   0.196
  117   1HD2  LEU  16          HD22      LEU  16  -3.281  -0.694   1.012
  118   2HD2  LEU  16          HD21      LEU  16  -4.092  -0.184  -0.453
  119   3HD2  LEU  16          HD23      LEU  16  -2.791  -1.363  -0.524
  120    H    GLU  17           HN       GLU  17  -3.776   4.600  -0.391
  121    HA   GLU  17           HA       GLU  17  -3.667   4.620  -3.225
  122   1HB   GLU  17           HB1      GLU  17  -5.531   5.491  -1.722
  123   2HB   GLU  17           HB2      GLU  17  -4.592   6.937  -1.531
  124   1HG   GLU  17           HG2      GLU  17  -5.063   7.740  -3.609
  125   2HG   GLU  17           HG1      GLU  17  -5.083   6.160  -4.351
  126    H    ASN  18           HN       ASN  18  -2.432   6.788  -0.931
  127    HA   ASN  18           HA       ASN  18  -1.138   8.613  -2.665
  128   1HB   ASN  18           HB1      ASN  18  -0.777   8.058   0.295
  129   2HB   ASN  18           HB2      ASN  18  -0.047   9.438  -0.528
  130   1HD2  ASN  18          HD21      ASN  18  -3.044  11.238   0.134
  131   2HD2  ASN  18          HD22      ASN  18  -1.359  11.206   0.353
  132    OH   TYR  19           OH       TYR  19   2.637   1.335   2.641
  133    H    TYR  19           HN       TYR  19   0.096   5.549  -1.459
  134    HA   TYR  19           HA       TYR  19   2.761   5.710  -1.246
  135   1HB   TYR  19           HB1      TYR  19   1.120   3.749  -2.808
  136   2HB   TYR  19           HB2      TYR  19   2.853   3.675  -3.068
  137    HD1  TYR  19           HD1      TYR  19   0.659   4.281  -0.089
  138    HD2  TYR  19           HD2      TYR  19   3.904   2.039  -1.667
  139    HE1  TYR  19           HE1      TYR  19   0.899   3.141   2.044
  140    HE2  TYR  19           HE2      TYR  19   4.149   0.902   0.510
  141    HH   TYR  19           HH       TYR  19   3.570   1.254   2.819
  142    H    CYS  20           HN       CYS  20   1.311   5.780  -4.508
  143    HA   CYS  20           HA       CYS  20   3.860   6.879  -5.599
  144   1HB   CYS  20           HB1      CYS  20   2.863   6.355  -7.787
  145   2HB   CYS  20           HB2      CYS  20   2.888   4.934  -6.792
  146    H    ASN  21           HN       ASN  21   0.324   7.430  -6.051
  147    HA   ASN  21           HA       ASN  21   0.884  10.372  -6.006
  148   1HB   ASN  21           HB1      ASN  21  -1.298   8.954  -7.606
  149   2HB   ASN  21           HB2      ASN  21  -0.913  10.664  -7.653
  150   1HD2  ASN  21          HD21      ASN  21   1.029   8.242 -10.134
  151   2HD2  ASN  21          HD22      ASN  21  -0.381   7.806  -9.298
  152   1H    PHE   1           HT1      PHE  22 -15.170  -4.535   8.112
  153   2H    PHE   1           HT3      PHE  22 -15.889  -4.344   6.581
  154   3H    PHE   1           HT2      PHE  22 -15.584  -5.900   7.204
  155    HA   PHE   1           HA       PHE  22 -13.630  -5.944   6.281
  156   1HB   PHE   1           HB1      PHE  22 -14.419  -4.604   4.465
  157   2HB   PHE   1           HB2      PHE  22 -14.416  -3.128   5.418
  158    HD1  PHE   1           HD1      PHE  22 -12.098  -5.640   3.828
  159    HD2  PHE   1           HD2      PHE  22 -12.538  -1.707   5.435
  160    HE1  PHE   1           HE1      PHE  22  -9.862  -5.046   3.022
  161    HE2  PHE   1           HE2      PHE  22 -10.299  -1.130   4.618
  162    HZ   PHE   1           HZ       PHE  22  -8.962  -2.784   3.419
  163    H    VAL   2           HN       VAL  23 -11.545  -5.719   6.771
  164    HA   VAL   2           HA       VAL  23 -10.586  -3.564   8.547
  165    HB   VAL   2           HB       VAL  23  -9.522  -5.279  10.027
  166   1HG1  VAL   2          HG12      VAL  23 -11.787  -4.436  10.673
  167   2HG1  VAL   2          HG11      VAL  23 -12.538  -5.728   9.746
  168   3HG1  VAL   2          HG13      VAL  23 -11.587  -6.111  11.162
  169   1HG2  VAL   2          HG22      VAL  23 -11.069  -7.316   8.357
  170   2HG2  VAL   2          HG21      VAL  23  -9.326  -7.134   8.379
  171   3HG2  VAL   2          HG23      VAL  23 -10.173  -7.681   9.818
  172    H    ASN   3           HN       ASN  24  -8.125  -3.905   8.696
  173    HA   ASN   3           HA       ASN  24  -7.082  -4.899   6.063
  174   1HB   ASN   3           HB1      ASN  24  -7.398  -2.387   6.313
  175   2HB   ASN   3           HB2      ASN  24  -6.210  -2.359   7.567
  176   1HD2  ASN   3          HD21      ASN  24  -5.020  -1.984   3.794
  177   2HD2  ASN   3          HD22      ASN  24  -6.603  -1.741   4.348
  178    H    GLN   4           HN       GLN  25  -4.627  -5.274   6.262
  179    HA   GLN   4           HA       GLN  25  -3.800  -6.219   8.940
  180   1HB   GLN   4           HB1      GLN  25  -4.955  -8.152   7.922
  181   2HB   GLN   4           HB2      GLN  25  -3.967  -8.039   6.472
  182   1HG   GLN   4           HG2      GLN  25  -3.204  -9.853   7.928
  183   2HG   GLN   4           HG1      GLN  25  -1.934  -8.666   7.848
  184   1HE2  GLN   4          HE21      GLN  25  -1.881  -8.338  11.344
  185   2HE2  GLN   4          HE22      GLN  25  -1.074  -8.153   9.867
  186    H    HIS   5           HN       HIS  26  -1.537  -7.066   8.759
  187    HA   HIS   5           HA       HIS  26   0.155  -4.993   7.650
  188   1HB   HIS   5           HB1      HIS  26   0.993  -7.648   8.912
  189   2HB   HIS   5           HB2      HIS  26   2.066  -6.314   8.525
  190    HD1  HIS   5           HD1      HIS  26  -0.312  -7.258  11.164
  191    HD2  HIS   5           HD2      HIS  26   1.876  -4.032   9.972
  192    HE1  HIS   5           HE1      HIS  26  -0.297  -5.612  13.080
  193    H    LEU   6           HN       LEU  27   1.593  -5.050   6.212
  194    HA   LEU   6           HA       LEU  27   1.769  -7.090   4.018
  195   1HB   LEU   6           HB1      LEU  27   2.087  -4.018   3.849
  196   2HB   LEU   6           HB2      LEU  27   2.173  -5.159   2.506
  197    HG   LEU   6           HG       LEU  27  -0.425  -4.832   4.047
  198   1HD1  LEU   6          HD12      LEU  27   0.233  -2.611   3.007
  199   2HD1  LEU   6          HD11      LEU  27   0.396  -3.423   1.468
  200   3HD1  LEU   6          HD13      LEU  27  -1.167  -3.326   2.246
  201   1HD2  LEU   6          HD22      LEU  27   0.279  -5.775   1.206
  202   2HD2  LEU   6          HD21      LEU  27  -0.099  -6.844   2.546
  203   3HD2  LEU   6          HD23      LEU  27  -1.328  -5.772   1.918
  204    H    CYS   7           HN       CYS  28   3.799  -5.402   3.073
  205    HA   CYS   7           HA       CYS  28   6.066  -4.546   3.724
  206   1HB   CYS   7           HB1      CYS  28   5.985  -6.805   5.593
  207   2HB   CYS   7           HB2      CYS  28   7.183  -7.150   4.406
  208    H    GLY   8           HN       GLY  29   7.989  -5.415   2.613
  209   1HA   GLY   8           HA1      GLY  29   8.433  -5.639   0.269
  210   2HA   GLY   8           HA2      GLY  29   8.785  -7.192   0.985
  211    H    SER   9           HN       SER  30   7.264  -8.962   0.385
  212    HA   SER   9           HA       SER  30   6.192  -8.451  -2.308
  213   1HB   SER   9           HB1      SER  30   7.693 -10.477  -1.743
  214   2HB   SER   9           HB2      SER  30   6.372 -11.117  -0.764
  215    HG   SER   9           HG1      SER  30   5.247 -10.525  -3.020
  216    H    HIS  10           HN       HIS  31   4.704  -7.929   0.409
  217    HA   HIS  10           HA       HIS  31   2.049  -9.023  -0.525
  218   1HB   HIS  10           HB1      HIS  31   2.823  -7.807   2.167
  219   2HB   HIS  10           HB2      HIS  31   1.196  -8.118   1.453
  220    HD1  HIS  10           HD1      HIS  31   1.106 -10.892   0.776
  221    HD2  HIS  10           HD2      HIS  31   3.641  -9.829   3.801
  222    HE1  HIS  10           HE1      HIS  31   1.585 -12.952   2.048
  223    H    LEU  11           HN       LEU  32   3.951  -6.431   0.717
  224    HA   LEU  11           HA       LEU  32   2.259  -4.249   0.439
  225   1HB   LEU  11           HB1      LEU  32   5.118  -4.705   0.475
  226   2HB   LEU  11           HB2      LEU  32   4.767  -3.299  -0.535
  227    HG   LEU  11           HG       LEU  32   4.038  -3.846   2.291
  228   1HD1  LEU  11          HD12      LEU  32   6.398  -3.143   1.870
  229   2HD1  LEU  11          HD11      LEU  32   5.826  -1.759   0.959
  230   3HD1  LEU  11          HD13      LEU  32   5.546  -1.841   2.690
  231   1HD2  LEU  11          HD22      LEU  32   3.356  -1.389   0.556
  232   2HD2  LEU  11          HD21      LEU  32   2.168  -2.485   1.223
  233   3HD2  LEU  11          HD23      LEU  32   3.090  -1.464   2.286
  234    H    VAL  12           HN       VAL  33   4.627  -5.363  -1.810
  235    HA   VAL  12           HA       VAL  33   3.930  -3.916  -4.116
  236    HB   VAL  12           HB       VAL  33   5.367  -6.560  -3.611
  237   1HG1  VAL  12          HG11      VAL  33   5.129  -5.219  -6.356
  238   2HG1  VAL  12          HG13      VAL  33   6.233  -6.515  -5.943
  239   3HG1  VAL  12          HG12      VAL  33   4.514  -6.817  -5.936
  240   1HG2  VAL  12          HG22      VAL  33   6.273  -3.799  -4.547
  241   2HG2  VAL  12          HG21      VAL  33   6.464  -4.438  -2.921
  242   3HG2  VAL  12          HG23      VAL  33   7.345  -5.156  -4.256
  243    H    GLU  13           HN       GLU  34   1.775  -6.224  -2.636
  244    HA   GLU  13           HA       GLU  34   0.589  -6.880  -5.280
  245   1HB   GLU  13           HB1      GLU  34   0.177  -8.032  -2.458
  246   2HB   GLU  13           HB2      GLU  34  -0.719  -8.539  -3.887
  247   1HG   GLU  13           HG2      GLU  34   1.434  -9.166  -4.986
  248   2HG   GLU  13           HG1      GLU  34   2.313  -8.755  -3.526
  249    H    ALA  14           HN       ALA  35   0.320  -5.497  -2.135
  250    HA   ALA  14           HA       ALA  35  -2.344  -4.518  -2.534
  251   1HB   ALA  14           HB1      ALA  35  -0.226  -3.912  -0.388
  252   2HB   ALA  14           HB3      ALA  35  -1.904  -3.435  -0.212
  253   3HB   ALA  14           HB2      ALA  35  -1.483  -5.141  -0.211
  254    H    LEU  15           HN       LEU  36   0.753  -3.590  -3.255
  255    HA   LEU  15           HA       LEU  36   0.265  -0.724  -3.479
  256   1HB   LEU  15           HB1      LEU  36   2.316  -1.673  -2.509
  257   2HB   LEU  15           HB2      LEU  36   2.596  -2.545  -4.000
  258    HG   LEU  15           HG       LEU  36   3.197  -0.700  -5.206
  259   1HD1  LEU  15          HD11      LEU  36   2.199   1.003  -2.819
  260   2HD1  LEU  15          HD13      LEU  36   2.958   1.692  -4.255
  261   3HD1  LEU  15          HD12      LEU  36   1.396   0.938  -4.378
  262   1HD2  LEU  15          HD22      LEU  36   4.297  -0.335  -2.404
  263   2HD2  LEU  15          HD21      LEU  36   4.942  -1.382  -3.672
  264   3HD2  LEU  15          HD23      LEU  36   4.994   0.373  -3.853
  265    OH   TYR  16           OH       TYR  37  -2.519  -5.596 -12.593
  266    H    TYR  16           HN       TYR  37   0.336  -3.607  -5.308
  267    HA   TYR  16           HA       TYR  37   0.539  -2.378  -7.943
  268   1HB   TYR  16           HB1      TYR  37   1.259  -4.692  -7.852
  269   2HB   TYR  16           HB2      TYR  37  -0.165  -5.178  -6.952
  270    HD1  TYR  16           HD1      TYR  37   0.916  -3.814 -10.260
  271    HD2  TYR  16           HD2      TYR  37  -2.144  -5.881  -8.094
  272    HE1  TYR  16           HE1      TYR  37  -0.266  -4.277 -12.342
  273    HE2  TYR  16           HE2      TYR  37  -3.308  -6.344 -10.193
  274    HH   TYR  16           HH       TYR  37  -3.292  -6.135 -12.408
  275    H    LEU  17           HN       LEU  38  -1.910  -3.745  -5.881
  276    HA   LEU  17           HA       LEU  38  -4.119  -3.267  -7.584
  277   1HB   LEU  17           HB1      LEU  38  -4.112  -4.894  -5.671
  278   2HB   LEU  17           HB2      LEU  38  -4.003  -3.534  -4.539
  279    HG   LEU  17           HG       LEU  38  -6.251  -2.780  -5.143
  280   1HD1  LEU  17          HD11      LEU  38  -6.278  -4.990  -7.252
  281   2HD1  LEU  17          HD13      LEU  38  -7.626  -3.930  -6.848
  282   3HD1  LEU  17          HD12      LEU  38  -6.206  -3.268  -7.611
  283   1HD2  LEU  17          HD21      LEU  38  -6.031  -4.696  -3.578
  284   2HD2  LEU  17          HD23      LEU  38  -7.518  -4.810  -4.512
  285   3HD2  LEU  17          HD22      LEU  38  -6.150  -5.820  -4.935
  286    H    VAL  18           HN       VAL  39  -2.483  -1.255  -5.271
  287    HA   VAL  18           HA       VAL  39  -4.631   0.715  -5.294
  288    HB   VAL  18           HB       VAL  39  -3.063  -0.010  -3.373
  289   1HG1  VAL  18          HG12      VAL  39  -0.957   0.431  -4.456
  290   2HG1  VAL  18          HG11      VAL  39  -1.286   2.154  -4.501
  291   3HG1  VAL  18          HG13      VAL  39  -1.072   1.358  -2.968
  292   1HG2  VAL  18          HG22      VAL  39  -3.683   2.878  -3.934
  293   2HG2  VAL  18          HG21      VAL  39  -4.818   1.783  -3.203
  294   3HG2  VAL  18          HG23      VAL  39  -3.392   2.266  -2.308
  295    H    CYS  19           HN       CYS  40  -1.378   0.542  -6.373
  296    HA   CYS  19           HA       CYS  40  -1.563   3.038  -8.046
  297   1HB   CYS  19           HB1      CYS  40   0.640   1.878  -6.352
  298   2HB   CYS  19           HB2      CYS  40   1.042   2.873  -7.734
  299    H    GLY  20           HN       GLY  41  -2.699   0.990  -8.911
  300   1HA   GLY  20           HA1      GLY  41  -0.948  -0.746 -10.488
  301   2HA   GLY  20           HA2      GLY  41  -2.675  -0.895 -10.311
  302    H    GLU  21           HN       GLU  42  -3.157   1.834 -11.144
  303    HA   GLU  21           HA       GLU  42  -2.465   1.630 -14.051
  304   1HB   GLU  21           HB1      GLU  42  -4.889   1.164 -13.187
  305   2HB   GLU  21           HB2      GLU  42  -5.015   2.875 -12.876
  306   1HG   GLU  21           HG2      GLU  42  -4.435   1.572 -15.585
  307   2HG   GLU  21           HG1      GLU  42  -6.023   2.062 -15.050
  308    NH1  ARG  22           NH2      ARG  43  -4.126   8.624  -9.151
  309    NH2  ARG  22           NH1      ARG  43  -3.869   9.773 -11.110
  310    H    ARG  22           HN       ARG  43  -1.284   2.849 -11.729
  311    HA   ARG  22           HA       ARG  43  -0.997   5.676 -12.623
  312   1HB   ARG  22           HB1      ARG  43  -0.844   4.592  -9.760
  313   2HB   ARG  22           HB2      ARG  43  -0.748   6.279 -10.211
  314   1HG   ARG  22           HG2      ARG  43  -3.190   4.486 -10.601
  315   2HG   ARG  22           HG1      ARG  43  -3.006   5.642  -9.289
  316   1HD   ARG  22           HD2      ARG  43  -3.041   6.386 -12.263
  317   2HD   ARG  22           HD1      ARG  43  -4.396   6.548 -11.169
  318    HE   ARG  22           HE       ARG  43  -1.820   8.033 -10.818
  319   1HH1  ARG  22          HH22      ARG  43  -3.896   7.833  -8.583
  320   2HH1  ARG  22          HH21      ARG  43  -4.764   9.317  -8.814
  321   1HH2  ARG  22          HH12      ARG  43  -3.440   9.831 -12.012
  322   2HH2  ARG  22          HH11      ARG  43  -4.500  10.485 -10.805
  323    H    GLY  23           HN       GLY  44   0.190   2.980 -10.872
  324   1HA   GLY  23           HA1      GLY  44   2.215   1.758 -11.195
  325   2HA   GLY  23           HA2      GLY  44   2.914   3.116 -12.076
  326    H    PHE  24           HN       PHE  45   4.340   1.851 -10.120
  327    HA   PHE  24           HA       PHE  45   4.756   3.994  -8.171
  328   1HB   PHE  24           HB1      PHE  45   4.752   2.358  -6.223
  329   2HB   PHE  24           HB2      PHE  45   3.166   2.546  -6.954
  330    HD1  PHE  24           HD2      PHE  45   6.085   0.255  -6.635
  331    HD2  PHE  24           HD1      PHE  45   2.165   0.737  -8.233
  332    HE1  PHE  24           HE2      PHE  45   5.996  -2.145  -7.133
  333    HE2  PHE  24           HE1      PHE  45   2.113  -1.687  -8.750
  334    HZ   PHE  24           HZ       PHE  45   4.018  -3.107  -8.194
  335    H    PHE  25           HN       PHE  46   6.519   3.226  -6.643
  336    HA   PHE  25           HA       PHE  46   8.686   1.739  -8.054
  337   1HB   PHE  25           HB1      PHE  46   8.857   4.550  -6.876
  338   2HB   PHE  25           HB2      PHE  46  10.268   3.611  -7.370
  339    HD1  PHE  25           HD1      PHE  46  10.086   2.563  -9.815
  340    HD2  PHE  25           HD2      PHE  46   7.863   5.946  -8.488
  341    HE1  PHE  25           HE1      PHE  46   9.743   3.261 -12.158
  342    HE2  PHE  25           HE2      PHE  46   7.528   6.636 -10.818
  343    HZ   PHE  25           HZ       PHE  46   8.462   5.288 -12.659
   
 Raw file had 343 H/Q atoms
  Start of MODEL    6
    1   1H    GLY   1           HT1      GLY   1   4.108   1.404  -9.500
    2   2H    GLY   1           HT3      GLY   1   3.098   1.944 -10.748
    3   3H    GLY   1           HT2      GLY   1   4.587   2.716 -10.464
    4   1HA   GLY   1           HA1      GLY   1   3.627   4.123  -9.062
    5   2HA   GLY   1           HA2      GLY   1   2.083   3.325  -9.375
    6    H    ILE   2           HN       ILE   2   1.975   1.114  -8.286
    7    HA   ILE   2           HA       ILE   2   2.751   1.396  -5.416
    8    HB   ILE   2           HB       ILE   2   0.388   1.353  -5.478
    9   1HG1  ILE   2          HG12      ILE   2   1.008  -1.575  -5.237
   10   2HG1  ILE   2          HG11      ILE   2   1.382  -0.403  -3.990
   11   1HG2  ILE   2          HG22      ILE   2   0.084   0.809  -7.906
   12   2HG2  ILE   2          HG21      ILE   2   0.423  -0.887  -7.565
   13   3HG2  ILE   2          HG23      ILE   2  -1.006  -0.099  -6.915
   14   1HD1  ILE   2           HD2      ILE   2  -1.080   0.198  -3.875
   15   2HD1  ILE   2           HD1      ILE   2  -1.428  -1.005  -5.103
   16   3HD1  ILE   2           HD3      ILE   2  -0.809  -1.498  -3.549
   17    H    VAL   3           HN       VAL   3   2.132  -0.979  -7.861
   18    HA   VAL   3           HA       VAL   3   3.363  -3.227  -6.750
   19    HB   VAL   3           HB       VAL   3   1.916  -3.324  -8.707
   20   1HG1  VAL   3          HG11      VAL   3   4.062  -1.894 -10.326
   21   2HG1  VAL   3          HG13      VAL   3   2.592  -2.634 -10.953
   22   3HG1  VAL   3          HG12      VAL   3   2.487  -1.262  -9.872
   23   1HG2  VAL   3          HG21      VAL   3   3.486  -5.162  -8.411
   24   2HG2  VAL   3          HG23      VAL   3   3.178  -4.910 -10.113
   25   3HG2  VAL   3          HG22      VAL   3   4.694  -4.356  -9.394
   26    H    GLU   4           HN       GLU   4   4.870  -0.520  -8.430
   27    HA   GLU   4           HA       GLU   4   7.508  -1.834  -8.064
   28   1HB   GLU   4           HB1      GLU   4   8.312   0.063  -9.655
   29   2HB   GLU   4           HB2      GLU   4   7.318  -1.197 -10.362
   30   1HG   GLU   4           HG2      GLU   4   5.368   0.245 -10.363
   31   2HG   GLU   4           HG1      GLU   4   6.158   1.442  -9.343
   32    H    GLN   5           HN       GLN   5   5.852   0.095  -6.195
   33    HA   GLN   5           HA       GLN   5   8.217   1.812  -5.469
   34   1HB   GLN   5           HB1      GLN   5   5.988   2.981  -5.998
   35   2HB   GLN   5           HB2      GLN   5   5.323   2.210  -4.570
   36   1HG   GLN   5           HG2      GLN   5   6.970   3.303  -3.140
   37   2HG   GLN   5           HG1      GLN   5   7.869   3.901  -4.518
   38   1HE2  GLN   5          HE22      GLN   5   4.469   5.946  -4.777
   39   2HE2  GLN   5          HE21      GLN   5   4.630   4.379  -5.391
   40    H    CYS   6           HN       CYS   6   5.724  -0.350  -4.373
   41    HA   CYS   6           HA       CYS   6   7.014  -0.688  -1.747
   42   1HB   CYS   6           HB1      CYS   6   4.401  -1.760  -2.706
   43   2HB   CYS   6           HB2      CYS   6   4.992  -1.712  -1.040
   44    H    CYS   7           HN       CYS   7   6.972  -2.659  -4.708
   45    HA   CYS   7           HA       CYS   7   7.536  -5.035  -2.956
   46   1HB   CYS   7           HB1      CYS   7   5.722  -5.501  -4.375
   47   2HB   CYS   7           HB2      CYS   7   6.486  -4.785  -5.763
   48    H    THR   8           HN       THR   8   8.288  -3.097  -5.695
   49    HA   THR   8           HA       THR   8  10.757  -4.382  -6.270
   50    HB   THR   8           HB       THR   8   9.587  -1.699  -7.134
   51    HG1  THR   8           HG1      THR   8   8.689  -3.016  -8.501
   52   1HG2  THR   8          HG21      THR   8  12.022  -3.167  -8.291
   53   2HG2  THR   8          HG23      THR   8  11.328  -1.676  -8.915
   54   3HG2  THR   8          HG22      THR   8  12.162  -1.672  -7.383
   55    H    SER   9           HN       SER   9   9.626  -1.912  -4.238
   56    HA   SER   9           HA       SER   9  12.274  -1.568  -2.982
   57   1HB   SER   9           HB1      SER   9  10.582   0.805  -3.985
   58   2HB   SER   9           HB2      SER   9  12.068   0.927  -3.038
   59    HG   SER   9           HG1      SER   9  11.733   0.312  -5.665
   60    H    ILE  10           HN       ILE  10  11.746   0.161  -1.079
   61    HA   ILE  10           HA       ILE  10   9.478  -1.036   0.448
   62    HB   ILE  10           HB       ILE  10  11.970   0.530   1.354
   63   1HG1  ILE  10          HG12      ILE  10  12.132  -2.116   2.357
   64   2HG1  ILE  10          HG11      ILE  10  11.474  -2.335   0.760
   65   1HG2  ILE  10          HG21      ILE  10   9.919  -1.046   2.988
   66   2HG2  ILE  10          HG23      ILE  10  11.356  -0.267   3.633
   67   3HG2  ILE  10          HG22      ILE  10  10.064   0.710   2.972
   68   1HD1  ILE  10           HD2      ILE  10  13.356  -1.033  -0.235
   69   2HD1  ILE  10           HD1      ILE  10  14.019  -0.812   1.385
   70   3HD1  ILE  10           HD3      ILE  10  13.949  -2.416   0.675
   71    H    CYS  11           HN       CYS  11   7.759   0.268   0.527
   72    HA   CYS  11           HA       CYS  11   8.030   3.140  -0.266
   73   1HB   CYS  11           HB1      CYS  11   5.875   2.876  -1.343
   74   2HB   CYS  11           HB2      CYS  11   6.652   1.388  -1.508
   75    H    SER  12           HN       SER  12   5.884   4.306   0.620
   76    HA   SER  12           HA       SER  12   5.969   4.025   3.611
   77   1HB   SER  12           HB1      SER  12   5.548   6.438   3.729
   78   2HB   SER  12           HB2      SER  12   6.910   6.191   2.652
   79    HG   SER  12           HG1      SER  12   4.525   7.239   2.069
   80    H    LEU  13           HN       LEU  13   3.922   5.118   4.549
   81    HA   LEU  13           HA       LEU  13   1.581   3.791   3.269
   82   1HB   LEU  13           HB1      LEU  13   0.570   3.794   5.372
   83   2HB   LEU  13           HB2      LEU  13   2.213   3.239   5.606
   84    HG   LEU  13           HG       LEU  13   1.074   5.983   6.358
   85   1HD1  LEU  13          HD12      LEU  13   0.466   4.140   7.893
   86   2HD1  LEU  13          HD11      LEU  13   2.158   3.694   8.056
   87   3HD1  LEU  13          HD13      LEU  13   1.579   5.233   8.686
   88   1HD2  LEU  13          HD22      LEU  13   3.950   5.030   6.704
   89   2HD2  LEU  13          HD21      LEU  13   3.418   6.353   5.666
   90   3HD2  LEU  13          HD23      LEU  13   3.268   6.492   7.398
   91    OH   TYR  14           OH       TYR  14   1.542  13.978   0.058
   92    H    TYR  14           HN       TYR  14   2.848   6.404   2.728
   93    HA   TYR  14           HA       TYR  14   0.548   8.308   2.885
   94   1HB   TYR  14           HB1      TYR  14   2.609   9.239   3.829
   95   2HB   TYR  14           HB2      TYR  14   3.529   8.721   2.441
   96    HD1  TYR  14           HD2      TYR  14   0.158  10.530   2.621
   97    HD2  TYR  14           HD1      TYR  14   4.239  10.564   1.332
   98    HE1  TYR  14           HE2      TYR  14  -0.206  12.633   1.444
   99    HE2  TYR  14           HE1      TYR  14   3.841  12.674   0.138
  100    HH   TYR  14           HH       TYR  14   2.293  14.193  -0.501
  101    H    GLN  15           HN       GLN  15   3.311   7.316   0.991
  102    HA   GLN  15           HA       GLN  15   2.236   8.126  -1.542
  103   1HB   GLN  15           HB1      GLN  15   4.435   6.115  -0.787
  104   2HB   GLN  15           HB2      GLN  15   4.071   6.526  -2.461
  105   1HG   GLN  15           HG2      GLN  15   4.924   8.533  -0.300
  106   2HG   GLN  15           HG1      GLN  15   5.958   7.913  -1.570
  107   1HE2  GLN  15          HE21      GLN  15   3.812  11.151  -2.344
  108   2HE2  GLN  15          HE22      GLN  15   4.196  10.581  -0.796
  109    H    LEU  16           HN       LEU  16   1.701   5.443   0.509
  110    HA   LEU  16           HA       LEU  16   0.308   3.889  -1.612
  111   1HB   LEU  16           HB1      LEU  16   1.912   2.731   0.051
  112   2HB   LEU  16           HB2      LEU  16   0.798   3.158   1.324
  113    HG   LEU  16           HG       LEU  16  -0.942   1.704   0.455
  114   1HD1  LEU  16          HD11      LEU  16   0.892   1.132  -1.921
  115   2HD1  LEU  16          HD13      LEU  16  -0.606   0.280  -1.542
  116   3HD1  LEU  16          HD12      LEU  16  -0.648   1.975  -1.983
  117   1HD2  LEU  16          HD22      LEU  16   1.766   0.294   0.362
  118   2HD2  LEU  16          HD21      LEU  16   0.800   0.557   1.803
  119   3HD2  LEU  16          HD23      LEU  16   0.226  -0.519   0.549
  120    H    GLU  17           HN       GLU  17  -0.199   6.196   0.815
  121    HA   GLU  17           HA       GLU  17  -2.871   5.586   1.715
  122   1HB   GLU  17           HB1      GLU  17  -1.314   7.290   2.794
  123   2HB   GLU  17           HB2      GLU  17  -1.552   8.310   1.427
  124   1HG   GLU  17           HG2      GLU  17  -2.917   8.983   3.359
  125   2HG   GLU  17           HG1      GLU  17  -3.784   8.797   1.872
  126    H    ASN  18           HN       ASN  18  -1.537   7.645  -0.664
  127    HA   ASN  18           HA       ASN  18  -3.901   8.716  -1.826
  128   1HB   ASN  18           HB1      ASN  18  -1.589   9.508  -2.408
  129   2HB   ASN  18           HB2      ASN  18  -1.312   8.010  -3.297
  130   1HD2  ASN  18          HD21      ASN  18  -2.809   9.300  -6.218
  131   2HD2  ASN  18          HD22      ASN  18  -1.774   8.158  -5.492
  132    OH   TYR  19           OH       TYR  19   0.802   4.296  -6.764
  133    H    TYR  19           HN       TYR  19  -3.333   5.492  -1.554
  134    HA   TYR  19           HA       TYR  19  -4.592   4.743  -4.150
  135   1HB   TYR  19           HB1      TYR  19  -3.008   3.160  -2.102
  136   2HB   TYR  19           HB2      TYR  19  -3.916   2.394  -3.373
  137    HD1  TYR  19           HD1      TYR  19  -1.416   5.186  -2.929
  138    HD2  TYR  19           HD2      TYR  19  -2.872   2.042  -5.400
  139    HE1  TYR  19           HE1      TYR  19   0.401   5.598  -4.563
  140    HE2  TYR  19           HE2      TYR  19  -1.077   2.463  -6.994
  141    HH   TYR  19           HH       TYR  19   1.481   4.799  -6.306
  142    H    CYS  20           HN       CYS  20  -6.354   5.873  -3.040
  143    HA   CYS  20           HA       CYS  20  -8.218   4.050  -1.644
  144   1HB   CYS  20           HB1      CYS  20  -8.216   7.121  -1.733
  145   2HB   CYS  20           HB2      CYS  20  -9.287   6.160  -0.758
  146    H    ASN  21           HN       ASN  21 -10.527   5.155  -2.259
  147    HA   ASN  21           HA       ASN  21 -12.066   4.811  -4.036
  148   1HB   ASN  21           HB1      ASN  21 -10.518   7.287  -4.896
  149   2HB   ASN  21           HB2      ASN  21 -12.174   6.899  -5.342
  150   1HD2  ASN  21          HD21      ASN  21 -13.412   8.571  -2.531
  151   2HD2  ASN  21          HD22      ASN  21 -13.575   8.158  -4.170
  152   1H    PHE   1           HT1      PHE  22   4.564   1.286  11.857
  153   2H    PHE   1           HT3      PHE  22   4.867   2.801  12.536
  154   3H    PHE   1           HT2      PHE  22   3.571   2.598  11.455
  155    HA   PHE   1           HA       PHE  22   4.848   3.067   9.735
  156   1HB   PHE   1           HB1      PHE  22   5.984   4.416  11.693
  157   2HB   PHE   1           HB2      PHE  22   7.216   3.177  11.720
  158    HD1  PHE   1           HD1      PHE  22   8.065   2.648   9.152
  159    HD2  PHE   1           HD2      PHE  22   6.652   6.374  10.605
  160    HE1  PHE   1           HE1      PHE  22   9.330   3.774   7.389
  161    HE2  PHE   1           HE2      PHE  22   7.913   7.534   8.855
  162    HZ   PHE   1           HZ       PHE  22   9.251   6.256   7.241
  163    H    VAL   2           HN       VAL  23   6.355   1.905   8.178
  164    HA   VAL   2           HA       VAL  23   6.987  -0.873   9.045
  165    HB   VAL   2           HB       VAL  23   6.428  -1.636   6.902
  166   1HG1  VAL   2          HG12      VAL  23   4.408  -1.051   8.162
  167   2HG1  VAL   2          HG11      VAL  23   4.410   0.573   7.477
  168   3HG1  VAL   2          HG13      VAL  23   4.146  -0.816   6.445
  169   1HG2  VAL   2          HG22      VAL  23   6.478   1.239   5.834
  170   2HG2  VAL   2          HG21      VAL  23   7.650  -0.016   5.491
  171   3HG2  VAL   2          HG23      VAL  23   6.015  -0.182   4.919
  172    H    ASN   3           HN       ASN  24   8.462  -1.823   7.244
  173    HA   ASN   3           HA       ASN  24  10.621  -0.223   6.237
  174   1HB   ASN   3           HB1      ASN  24  12.419  -1.197   7.838
  175   2HB   ASN   3           HB2      ASN  24  11.309  -0.102   8.621
  176   1HD2  ASN   3          HD21      ASN  24  10.137  -2.590  10.833
  177   2HD2  ASN   3          HD22      ASN  24  10.243  -0.939  10.453
  178    H    GLN   4           HN       GLN  25   9.023  -2.159   5.115
  179    HA   GLN   4           HA       GLN  25  11.042  -3.998   4.017
  180   1HB   GLN   4           HB1      GLN  25  10.082  -5.071   6.143
  181   2HB   GLN   4           HB2      GLN  25   8.537  -5.143   5.299
  182   1HG   GLN   4           HG2      GLN  25   9.664  -7.290   5.155
  183   2HG   GLN   4           HG1      GLN  25   9.620  -6.595   3.539
  184   1HE2  GLN   4          HE21      GLN  25  13.100  -7.153   3.342
  185   2HE2  GLN   4          HE22      GLN  25  11.586  -7.328   2.599
  186    H    HIS   5           HN       HIS  26  10.342  -5.035   2.109
  187    HA   HIS   5           HA       HIS  26   8.572  -3.436   0.467
  188   1HB   HIS   5           HB1      HIS  26   9.404  -6.349  -0.152
  189   2HB   HIS   5           HB2      HIS  26   8.930  -5.082  -1.290
  190    HD1  HIS   5           HD1      HIS  26  10.673  -3.443  -2.003
  191    HD2  HIS   5           HD2      HIS  26  12.178  -6.017   0.781
  192    HE1  HIS   5           HE1      HIS  26  13.127  -3.117  -1.981
  193    H    LEU   6           HN       LEU  27   6.546  -4.498  -0.552
  194    HA   LEU   6           HA       LEU  27   4.960  -5.962   1.417
  195   1HB   LEU   6           HB1      LEU  27   4.218  -3.735  -0.457
  196   2HB   LEU   6           HB2      LEU  27   2.999  -4.677   0.403
  197    HG   LEU   6           HG       LEU  27   5.221  -3.183   1.850
  198   1HD1  LEU   6          HD11      LEU  27   2.379  -2.238   1.237
  199   2HD1  LEU   6          HD13      LEU  27   3.525  -1.443   2.303
  200   3HD1  LEU   6          HD12      LEU  27   3.841  -1.544   0.592
  201   1HD2  LEU   6          HD22      LEU  27   2.494  -4.243   2.746
  202   2HD2  LEU   6          HD21      LEU  27   4.054  -4.962   3.127
  203   3HD2  LEU   6          HD23      LEU  27   3.651  -3.389   3.755
  204    H    CYS   7           HN       CYS  28   5.231  -5.503  -1.611
  205    HA   CYS   7           HA       CYS  28   4.235  -6.429  -3.642
  206   1HB   CYS   7           HB1      CYS  28   6.496  -7.549  -2.792
  207   2HB   CYS   7           HB2      CYS  28   5.499  -8.977  -2.727
  208    H    GLY   8           HN       GLY  29   3.848  -9.338  -1.516
  209   1HA   GLY   8           HA1      GLY  29   1.078  -9.472  -2.652
  210   2HA   GLY   8           HA2      GLY  29   2.109 -10.897  -2.610
  211    H    SER   9           HN       SER  30  -0.349  -9.442  -1.353
  212    HA   SER   9           HA       SER  30  -1.802  -9.926   0.344
  213   1HB   SER   9           HB1      SER  30  -1.378 -11.777   1.926
  214   2HB   SER   9           HB2      SER  30  -0.207 -12.198   0.677
  215    HG   SER   9           HG1      SER  30   1.102 -12.043   2.326
  216    H    HIS  10           HN       HIS  31   1.438  -9.174   1.285
  217    HA   HIS  10           HA       HIS  31   0.709  -7.610   3.600
  218   1HB   HIS  10           HB1      HIS  31   3.213  -7.068   1.946
  219   2HB   HIS  10           HB2      HIS  31   2.704  -6.592   3.585
  220    HD1  HIS  10           HD1      HIS  31   2.721  -8.601   5.338
  221    HD2  HIS  10           HD2      HIS  31   4.314  -9.641   1.720
  222    HE1  HIS  10           HE1      HIS  31   3.878 -10.762   5.672
  223    H    LEU  11           HN       LEU  32   1.356  -6.939   0.217
  224    HA   LEU  11           HA       LEU  32   1.093  -4.107   0.250
  225   1HB   LEU  11           HB1      LEU  32   0.969  -6.183  -1.747
  226   2HB   LEU  11           HB2      LEU  32  -0.235  -4.974  -2.191
  227    HG   LEU  11           HG       LEU  32   2.678  -4.835  -1.796
  228   1HD1  LEU  11          HD11      LEU  32   0.881  -4.136  -4.182
  229   2HD1  LEU  11          HD13      LEU  32   2.622  -3.957  -4.203
  230   3HD1  LEU  11          HD12      LEU  32   1.913  -5.548  -4.069
  231   1HD2  LEU  11          HD22      LEU  32   0.781  -2.470  -2.294
  232   2HD2  LEU  11          HD21      LEU  32   1.804  -2.648  -0.878
  233   3HD2  LEU  11          HD23      LEU  32   2.515  -2.339  -2.439
  234    H    VAL  12           HN       VAL  33  -1.118  -6.564  -0.258
  235    HA   VAL  12           HA       VAL  33  -3.531  -4.946  -0.375
  236    HB   VAL  12           HB       VAL  33  -3.152  -7.955   0.093
  237   1HG1  VAL  12          HG12      VAL  33  -5.533  -7.232   0.673
  238   2HG1  VAL  12          HG11      VAL  33  -5.690  -6.590  -0.947
  239   3HG1  VAL  12          HG13      VAL  33  -5.440  -8.295  -0.695
  240   1HG2  VAL  12          HG21      VAL  33  -2.174  -7.171  -2.009
  241   2HG2  VAL  12          HG23      VAL  33  -3.600  -8.144  -2.323
  242   3HG2  VAL  12          HG22      VAL  33  -3.686  -6.393  -2.445
  243    H    GLU  13           HN       GLU  34  -1.498  -5.769   2.266
  244    HA   GLU  13           HA       GLU  34  -3.724  -5.654   4.219
  245   1HB   GLU  13           HB1      GLU  34  -2.316  -7.668   4.294
  246   2HB   GLU  13           HB2      GLU  34  -0.877  -6.669   4.337
  247   1HG   GLU  13           HG2      GLU  34  -1.498  -5.786   6.554
  248   2HG   GLU  13           HG1      GLU  34  -3.026  -6.650   6.507
  249    H    ALA  14           HN       ALA  35  -1.317  -4.057   2.637
  250    HA   ALA  14           HA       ALA  35  -1.024  -2.049   4.748
  251   1HB   ALA  14           HB2      ALA  35   1.187  -3.078   3.877
  252   2HB   ALA  14           HB1      ALA  35   0.701  -2.612   2.248
  253   3HB   ALA  14           HB3      ALA  35   1.131  -1.388   3.426
  254    H    LEU  15           HN       LEU  36  -2.420  -2.914   1.877
  255    HA   LEU  15           HA       LEU  36  -2.977  -0.144   0.956
  256   1HB   LEU  15           HB1      LEU  36  -2.262  -1.645  -0.820
  257   2HB   LEU  15           HB2      LEU  36  -3.298  -2.915  -0.218
  258    HG   LEU  15           HG       LEU  36  -5.247  -2.046  -1.106
  259   1HD1  LEU  15          HD11      LEU  36  -3.752   0.494  -1.888
  260   2HD1  LEU  15          HD13      LEU  36  -5.391   0.097  -2.384
  261   3HD1  LEU  15          HD12      LEU  36  -5.030   0.417  -0.707
  262   1HD2  LEU  15          HD21      LEU  36  -3.740  -3.215  -2.614
  263   2HD2  LEU  15          HD23      LEU  36  -4.644  -2.002  -3.510
  264   3HD2  LEU  15          HD22      LEU  36  -2.964  -1.715  -3.061
  265    OH   TYR  16           OH       TYR  37 -11.902  -2.438   5.400
  266    H    TYR  16           HN       TYR  37  -4.344  -2.926   2.467
  267    HA   TYR  16           HA       TYR  37  -7.099  -1.889   2.213
  268   1HB   TYR  16           HB1      TYR  37  -6.852  -4.397   2.607
  269   2HB   TYR  16           HB2      TYR  37  -6.048  -4.103   4.149
  270    HD1  TYR  16           HD1      TYR  37  -8.945  -3.155   2.103
  271    HD2  TYR  16           HD2      TYR  37  -7.562  -3.658   6.084
  272    HE1  TYR  16           HE1      TYR  37 -11.103  -2.549   2.849
  273    HE2  TYR  16           HE2      TYR  37  -9.814  -3.076   6.921
  274    HH   TYR  16           HH       TYR  37 -12.016  -2.766   6.293
  275    H    LEU  17           HN       LEU  38  -4.791  -2.251   4.622
  276    HA   LEU  17           HA       LEU  38  -5.922  -1.018   6.822
  277   1HB   LEU  17           HB1      LEU  38  -3.628  -2.212   6.105
  278   2HB   LEU  17           HB2      LEU  38  -2.915  -0.640   6.330
  279    HG   LEU  17           HG       LEU  38  -2.756  -1.791   8.434
  280   1HD1  LEU  17          HD12      LEU  38  -4.012   0.262   9.023
  281   2HD1  LEU  17          HD11      LEU  38  -5.537  -0.569   8.764
  282   3HD1  LEU  17          HD13      LEU  38  -4.492  -1.072  10.064
  283   1HD2  LEU  17          HD22      LEU  38  -5.422  -3.129   7.868
  284   2HD2  LEU  17          HD21      LEU  38  -3.833  -3.848   7.702
  285   3HD2  LEU  17          HD23      LEU  38  -4.446  -3.409   9.293
  286    H    VAL  18           HN       VAL  39  -4.628   0.323   3.939
  287    HA   VAL  18           HA       VAL  39  -4.737   3.051   4.970
  288    HB   VAL  18           HB       VAL  39  -3.010   1.717   3.316
  289   1HG1  VAL  18          HG12      VAL  39  -4.512   1.647   1.342
  290   2HG1  VAL  18          HG11      VAL  39  -4.606   3.384   1.365
  291   3HG1  VAL  18          HG13      VAL  39  -3.082   2.578   1.075
  292   1HG2  VAL  18          HG22      VAL  39  -3.478   4.692   3.447
  293   2HG2  VAL  18          HG21      VAL  39  -2.486   3.715   4.523
  294   3HG2  VAL  18          HG23      VAL  39  -2.007   3.926   2.850
  295    H    CYS  19           HN       CYS  40  -6.101   1.386   2.133
  296    HA   CYS  19           HA       CYS  40  -8.733   2.328   2.511
  297   1HB   CYS  19           HB1      CYS  40  -6.843   3.746   0.579
  298   2HB   CYS  19           HB2      CYS  40  -8.547   3.773   0.178
  299    H    GLY  20           HN       GLY  41  -7.106   1.938  -0.585
  300   1HA   GLY  20           HA1      GLY  41  -7.384  -0.407  -1.557
  301   2HA   GLY  20           HA2      GLY  41  -8.947  -0.307  -0.811
  302    H    GLU  21           HN       GLU  42 -10.482   0.745  -1.519
  303    HA   GLU  21           HA       GLU  42 -10.369   2.621  -3.821
  304   1HB   GLU  21           HB1      GLU  42 -10.995   0.256  -4.603
  305   2HB   GLU  21           HB2      GLU  42 -12.312   0.247  -3.464
  306   1HG   GLU  21           HG2      GLU  42 -12.585   2.668  -5.007
  307   2HG   GLU  21           HG1      GLU  42 -12.203   1.358  -6.123
  308    NH1  ARG  22           NH1      ARG  43 -15.654   6.319  -3.567
  309    NH2  ARG  22           NH2      ARG  43 -17.637   6.064  -2.475
  310    H    ARG  22           HN       ARG  43 -10.246   2.850  -1.133
  311    HA   ARG  22           HA       ARG  43 -11.036   4.635   0.324
  312   1HB   ARG  22           HB1      ARG  43 -13.850   3.512  -0.459
  313   2HB   ARG  22           HB2      ARG  43 -13.596   4.439   0.980
  314   1HG   ARG  22           HG2      ARG  43 -12.669   6.329  -0.394
  315   2HG   ARG  22           HG1      ARG  43 -13.109   5.445  -1.839
  316   1HD   ARG  22           HD2      ARG  43 -15.139   6.208   0.320
  317   2HD   ARG  22           HD1      ARG  43 -14.786   7.218  -1.068
  318    HE   ARG  22           HE       ARG  43 -15.861   4.415  -1.324
  319   1HH1  ARG  22          HH12      ARG  43 -14.662   6.196  -3.577
  320   2HH1  ARG  22          HH11      ARG  43 -16.112   6.751  -4.345
  321   1HH2  ARG  22          HH22      ARG  43 -18.143   5.755  -1.671
  322   2HH2  ARG  22          HH21      ARG  43 -18.124   6.488  -3.237
  323    H    GLY  23           HN       GLY  44 -12.711   1.756  -0.288
  324   1HA   GLY  23           HA1      GLY  44 -11.514   0.194   1.913
  325   2HA   GLY  23           HA2      GLY  44 -13.281   0.173   1.725
  326    H    PHE  24           HN       PHE  45 -11.568  -1.995   1.271
  327    HA   PHE  24           HA       PHE  45 -12.551  -2.834  -1.328
  328   1HB   PHE  24           HB1      PHE  45 -10.659  -2.701  -2.711
  329   2HB   PHE  24           HB2      PHE  45 -10.360  -1.287  -1.714
  330    HD1  PHE  24           HD1      PHE  45  -8.624  -1.738   0.451
  331    HD2  PHE  24           HD2      PHE  45  -9.151  -4.233  -3.047
  332    HE1  PHE  24           HE1      PHE  45  -6.442  -2.914   0.751
  333    HE2  PHE  24           HE2      PHE  45  -7.005  -5.299  -2.640
  334    HZ   PHE  24           HZ       PHE  45  -5.665  -4.607  -0.703
  335    H    PHE  25           HN       PHE  46 -10.512  -4.819  -1.764
  336    HA   PHE  25           HA       PHE  46 -11.133  -6.649   0.496
  337   1HB   PHE  25           HB1      PHE  46 -11.920  -7.274  -1.808
  338   2HB   PHE  25           HB2      PHE  46 -10.259  -7.274  -2.371
  339    HD1  PHE  25           HD1      PHE  46  -8.573  -8.851  -1.257
  340    HD2  PHE  25           HD2      PHE  46 -12.767  -9.204  -0.668
  341    HE1  PHE  25           HE1      PHE  46  -8.250 -11.132  -0.430
  342    HE2  PHE  25           HE2      PHE  46 -12.445 -11.504   0.176
  343    HZ   PHE  25           HZ       PHE  46 -10.198 -12.463   0.296
   
 Raw file had 343 H/Q atoms
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1   8.172  -5.383   1.340
    2   2H    GLY   1           HT3      GLY   1   9.365  -6.588   1.226
    3   3H    GLY   1           HT2      GLY   1   8.277  -6.353  -0.053
    4   1HA   GLY   1           HA1      GLY   1   6.921  -7.832   0.790
    5   2HA   GLY   1           HA2      GLY   1   8.020  -8.047   2.144
    6    H    ILE   2           HN       ILE   2   5.727  -5.602   0.995
    7    HA   ILE   2           HA       ILE   2   4.617  -5.307   3.774
    8    HB   ILE   2           HB       ILE   2   4.365  -3.329   1.402
    9   1HG1  ILE   2          HG12      ILE   2   5.919  -1.966   3.145
   10   2HG1  ILE   2          HG11      ILE   2   6.486  -3.583   3.497
   11   1HG2  ILE   2          HG22      ILE   2   2.557  -3.199   3.197
   12   2HG2  ILE   2          HG21      ILE   2   3.808  -3.004   4.409
   13   3HG2  ILE   2          HG23      ILE   2   3.566  -1.767   3.192
   14   1HD1  ILE   2           HD2      ILE   2   6.932  -3.941   1.068
   15   2HD1  ILE   2           HD1      ILE   2   6.360  -2.319   0.739
   16   3HD1  ILE   2           HD3      ILE   2   7.815  -2.556   1.702
   17    H    VAL   3           HN       VAL   3   3.801  -7.465   2.899
   18    HA   VAL   3           HA       VAL   3   1.295  -7.101   1.318
   19    HB   VAL   3           HB       VAL   3   2.903  -8.545   0.269
   20   1HG1  VAL   3          HG12      VAL   3   4.267  -9.224   2.220
   21   2HG1  VAL   3          HG11      VAL   3   2.963 -10.238   2.820
   22   3HG1  VAL   3          HG13      VAL   3   3.746 -10.622   1.306
   23   1HG2  VAL   3          HG21      VAL   3   0.549  -9.270   0.024
   24   2HG2  VAL   3          HG23      VAL   3   1.613 -10.656   0.058
   25   3HG2  VAL   3          HG22      VAL   3   0.675 -10.247   1.485
   26    H    GLU   4           HN       GLU   4   2.469  -8.967   4.119
   27    HA   GLU   4           HA       GLU   4  -0.359  -9.470   4.859
   28   1HB   GLU   4           HB1      GLU   4   0.584 -10.775   6.719
   29   2HB   GLU   4           HB2      GLU   4   1.310 -11.280   5.206
   30   1HG   GLU   4           HG2      GLU   4   3.284  -9.818   5.658
   31   2HG   GLU   4           HG1      GLU   4   2.615  -9.378   7.225
   32    H    GLN   5           HN       GLN   5   0.678  -6.772   4.786
   33    HA   GLN   5           HA       GLN   5   0.345  -5.975   7.636
   34   1HB   GLN   5           HB1      GLN   5   2.493  -5.237   6.262
   35   2HB   GLN   5           HB2      GLN   5   1.402  -4.187   5.384
   36   1HG   GLN   5           HG2      GLN   5   2.466  -2.992   7.325
   37   2HG   GLN   5           HG1      GLN   5   0.717  -3.080   7.499
   38   1HE2  GLN   5          HE21      GLN   5   0.888  -5.041  10.442
   39   2HE2  GLN   5          HE22      GLN   5  -0.042  -4.090   9.377
   40    H    CYS   6           HN       CYS   6  -0.401  -5.177   4.353
   41    HA   CYS   6           HA       CYS   6  -2.891  -3.743   5.076
   42   1HB   CYS   6           HB1      CYS   6  -1.189  -3.722   2.596
   43   2HB   CYS   6           HB2      CYS   6  -2.717  -2.860   2.772
   44    H    CYS   7           HN       CYS   7  -2.185  -6.898   3.896
   45    HA   CYS   7           HA       CYS   7  -4.902  -6.977   2.633
   46   1HB   CYS   7           HB1      CYS   7  -3.265  -7.650   1.018
   47   2HB   CYS   7           HB2      CYS   7  -2.461  -8.710   2.131
   48    H    THR   8           HN       THR   8  -3.102  -7.523   5.273
   49    HA   THR   8           HA       THR   8  -4.538  -9.897   6.166
   50    HB   THR   8           HB       THR   8  -1.972  -8.516   6.892
   51    HG1  THR   8           HG1      THR   8  -2.250 -11.180   7.261
   52   1HG2  THR   8          HG21      THR   8  -3.457 -10.318   8.884
   53   2HG2  THR   8          HG23      THR   8  -1.795  -9.788   9.057
   54   3HG2  THR   8          HG22      THR   8  -3.099  -8.628   9.172
   55    H    SER   9           HN       SER   9  -3.923  -6.566   6.775
   56    HA   SER   9           HA       SER   9  -6.355  -6.183   8.471
   57   1HB   SER   9           HB1      SER   9  -4.355  -6.097  10.000
   58   2HB   SER   9           HB2      SER   9  -3.516  -5.020   8.900
   59    HG   SER   9           HG1      SER   9  -4.604  -3.440   9.701
   60    H    ILE  10           HN       ILE  10  -6.554  -3.675   8.567
   61    HA   ILE  10           HA       ILE  10  -7.014  -2.799   5.813
   62    HB   ILE  10           HB       ILE  10  -7.377  -1.402   8.512
   63   1HG1  ILE  10          HG12      ILE  10  -8.836  -3.313   8.598
   64   2HG1  ILE  10          HG11      ILE  10  -9.862  -1.963   8.172
   65   1HG2  ILE  10          HG21      ILE  10  -8.553  -0.662   5.806
   66   2HG2  ILE  10          HG23      ILE  10  -8.930   0.124   7.328
   67   3HG2  ILE  10          HG22      ILE  10  -7.309   0.223   6.681
   68   1HD1  ILE  10           HD2      ILE  10  -9.768  -2.599   5.808
   69   2HD1  ILE  10           HD1      ILE  10  -8.744  -3.967   6.194
   70   3HD1  ILE  10           HD3      ILE  10 -10.388  -3.915   6.797
   71    H    CYS  11           HN       CYS  11  -4.915  -2.296   8.461
   72    HA   CYS  11           HA       CYS  11  -2.836  -1.326   8.738
   73   1HB   CYS  11           HB1      CYS  11  -1.374  -1.728   6.883
   74   2HB   CYS  11           HB2      CYS  11  -2.799  -2.550   6.486
   75    H    SER  12           HN       SER  12  -1.576   0.756   8.079
   76    HA   SER  12           HA       SER  12  -3.553   3.004   7.920
   77   1HB   SER  12           HB1      SER  12  -2.146   4.208   9.504
   78   2HB   SER  12           HB2      SER  12  -2.314   2.574  10.113
   79    HG   SER  12           HG1      SER  12  -0.235   2.394   9.883
   80    H    LEU  13           HN       LEU  13  -1.832   5.039   7.804
   81    HA   LEU  13           HA       LEU  13  -1.042   5.056   4.972
   82   1HB   LEU  13           HB1      LEU  13  -0.699   7.567   5.531
   83   2HB   LEU  13           HB2      LEU  13  -2.310   6.882   5.515
   84    HG   LEU  13           HG       LEU  13  -2.254   6.732   8.046
   85   1HD1  LEU  13          HD11      LEU  13   0.351   8.316   7.810
   86   2HD1  LEU  13          HD13      LEU  13  -0.514   7.984   9.295
   87   3HD1  LEU  13          HD12      LEU  13   0.228   6.669   8.402
   88   1HD2  LEU  13          HD21      LEU  13  -3.337   8.602   6.943
   89   2HD2  LEU  13          HD23      LEU  13  -2.581   9.131   8.429
   90   3HD2  LEU  13          HD22      LEU  13  -1.824   9.499   6.892
   91    OH   TYR  14           OH       TYR  14   8.145   3.909  10.349
   92    H    TYR  14           HN       TYR  14   0.391   4.116   7.580
   93    HA   TYR  14           HA       TYR  14   3.155   5.173   7.079
   94   1HB   TYR  14           HB1      TYR  14   2.182   5.156   9.504
   95   2HB   TYR  14           HB2      TYR  14   2.099   3.409   9.366
   96    HD1  TYR  14           HD2      TYR  14   4.576   6.130   8.679
   97    HD2  TYR  14           HD1      TYR  14   3.951   2.201  10.193
   98    HE1  TYR  14           HE2      TYR  14   6.958   5.967   9.248
   99    HE2  TYR  14           HE1      TYR  14   6.333   2.037  10.750
  100    HH   TYR  14           HH       TYR  14   8.339   3.020  10.658
  101    H    GLN  15           HN       GLN  15   1.080   2.440   7.704
  102    HA   GLN  15           HA       GLN  15   2.839   0.357   6.782
  103   1HB   GLN  15           HB1      GLN  15  -0.236   0.462   6.878
  104   2HB   GLN  15           HB2      GLN  15   0.711  -1.004   6.650
  105   1HG   GLN  15           HG2      GLN  15   1.823  -0.707   8.820
  106   2HG   GLN  15           HG1      GLN  15   1.050   0.843   9.060
  107   1HE2  GLN  15          HE21      GLN  15  -1.713  -0.489  10.661
  108   2HE2  GLN  15          HE22      GLN  15  -0.806   0.859  10.163
  109    H    LEU  16           HN       LEU  16   0.717   2.660   5.366
  110    HA   LEU  16           HA       LEU  16   1.463   1.689   2.657
  111   1HB   LEU  16           HB1      LEU  16  -1.058   1.715   3.425
  112   2HB   LEU  16           HB2      LEU  16  -0.943   3.459   3.411
  113    HG   LEU  16           HG       LEU  16  -0.825   3.558   0.999
  114   1HD1  LEU  16          HD11      LEU  16  -0.365   0.528   0.976
  115   2HD1  LEU  16          HD13      LEU  16  -0.512   1.557  -0.440
  116   3HD1  LEU  16          HD12      LEU  16   0.856   1.754   0.626
  117   1HD2  LEU  16          HD21      LEU  16  -3.114   2.865   1.837
  118   2HD2  LEU  16          HD23      LEU  16  -2.789   2.221   0.254
  119   3HD2  LEU  16          HD22      LEU  16  -2.656   1.188   1.664
  120    H    GLU  17           HN       GLU  17   3.059   3.165   4.329
  121    HA   GLU  17           HA       GLU  17   3.447   5.770   2.902
  122   1HB   GLU  17           HB1      GLU  17   3.519   6.157   5.411
  123   2HB   GLU  17           HB2      GLU  17   4.614   4.808   5.601
  124   1HG   GLU  17           HG2      GLU  17   6.051   6.273   3.925
  125   2HG   GLU  17           HG1      GLU  17   5.097   7.561   4.631
  126    H    ASN  18           HN       ASN  18   5.081   3.253   4.549
  127    HA   ASN  18           HA       ASN  18   7.625   3.196   3.789
  128   1HB   ASN  18           HB1      ASN  18   7.521   0.666   4.018
  129   2HB   ASN  18           HB2      ASN  18   6.855   1.624   5.327
  130   1HD2  ASN  18          HD22      ASN  18   3.976  -0.342   5.176
  131   2HD2  ASN  18          HD21      ASN  18   5.246   0.282   6.100
  132    OH   TYR  19           OH       TYR  19   1.509  -2.361   1.216
  133    H    TYR  19           HN       TYR  19   5.280   2.556   1.308
  134    HA   TYR  19           HA       TYR  19   7.251   1.084  -0.348
  135   1HB   TYR  19           HB1      TYR  19   4.619   2.180  -1.339
  136   2HB   TYR  19           HB2      TYR  19   5.576   0.848  -2.005
  137    HD1  TYR  19           HD1      TYR  19   3.311   1.750   0.833
  138    HD2  TYR  19           HD2      TYR  19   4.998  -1.423  -1.461
  139    HE1  TYR  19           HE1      TYR  19   1.715   0.102   1.777
  140    HE2  TYR  19           HE2      TYR  19   3.407  -2.966  -0.535
  141    HH   TYR  19           HH       TYR  19   1.843  -3.256   1.213
  142    H    CYS  20           HN       CYS  20   6.513   4.389   0.122
  143    HA   CYS  20           HA       CYS  20   7.254   5.379  -2.525
  144   1HB   CYS  20           HB1      CYS  20   6.618   6.759   0.079
  145   2HB   CYS  20           HB2      CYS  20   6.899   7.602  -1.423
  146    H    ASN  21           HN       ASN  21   8.545   7.584  -2.056
  147    HA   ASN  21           HA       ASN  21  11.270   6.778  -1.084
  148   1HB   ASN  21           HB1      ASN  21  11.036   7.169  -3.563
  149   2HB   ASN  21           HB2      ASN  21  10.539   8.818  -3.262
  150   1HD2  ASN  21          HD21      ASN  21  14.381   8.170  -1.992
  151   2HD2  ASN  21          HD22      ASN  21  13.114   7.231  -1.374
  152   1H    PHE   1           HT1      PHE  22  -4.564   5.332   1.917
  153   2H    PHE   1           HT3      PHE  22  -3.506   5.992   3.069
  154   3H    PHE   1           HT2      PHE  22  -3.153   4.491   2.359
  155    HA   PHE   1           HA       PHE  22  -4.261   3.458   3.935
  156   1HB   PHE   1           HB1      PHE  22  -3.493   5.113   5.429
  157   2HB   PHE   1           HB2      PHE  22  -4.593   6.322   4.778
  158    HD1  PHE   1           HD1      PHE  22  -5.526   2.842   5.882
  159    HD2  PHE   1           HD2      PHE  22  -5.646   7.021   6.735
  160    HE1  PHE   1           HE1      PHE  22  -7.090   2.434   7.730
  161    HE2  PHE   1           HE2      PHE  22  -7.199   6.611   8.566
  162    HZ   PHE   1           HZ       PHE  22  -7.926   4.320   9.079
  163    H    VAL   2           HN       VAL  23  -5.813   2.430   3.013
  164    HA   VAL   2           HA       VAL  23  -8.392   3.736   2.337
  165    HB   VAL   2           HB       VAL  23  -7.680   0.862   1.669
  166   1HG1  VAL   2          HG11      VAL  23  -9.206   2.977   0.072
  167   2HG1  VAL   2          HG13      VAL  23  -8.946   1.310  -0.415
  168   3HG1  VAL   2          HG12      VAL  23  -9.925   1.651   0.991
  169   1HG2  VAL   2          HG22      VAL  23  -6.509   3.149   0.032
  170   2HG2  VAL   2          HG21      VAL  23  -5.613   1.965   0.962
  171   3HG2  VAL   2          HG23      VAL  23  -6.539   1.457  -0.431
  172    H    ASN   3           HN       ASN  24 -10.171   2.124   2.772
  173    HA   ASN   3           HA       ASN  24  -9.952   1.080   5.575
  174   1HB   ASN   3           HB1      ASN  24 -12.487   1.434   5.630
  175   2HB   ASN   3           HB2      ASN  24 -11.549   2.913   5.501
  176   1HD2  ASN   3          HD21      ASN  24 -13.520   3.860   2.766
  177   2HD2  ASN   3          HD22      ASN  24 -12.827   4.263   4.262
  178    H    GLN   4           HN       GLN  25  -9.125  -0.428   3.469
  179    HA   GLN   4           HA       GLN  25 -10.801  -2.826   3.775
  180   1HB   GLN   4           HB1      GLN  25 -11.619  -1.505   1.702
  181   2HB   GLN   4           HB2      GLN  25 -10.036  -1.803   0.979
  182   1HG   GLN   4           HG2      GLN  25 -10.599  -4.365   1.405
  183   2HG   GLN   4           HG1      GLN  25 -12.233  -3.795   1.639
  184   1HE2  GLN   4          HE21      GLN  25 -10.582  -4.015  -2.036
  185   2HE2  GLN   4          HE22      GLN  25  -9.715  -4.365  -0.620
  186    H    HIS   5           HN       HIS  26  -9.627  -4.670   2.719
  187    HA   HIS   5           HA       HIS  26  -6.720  -4.457   3.313
  188   1HB   HIS   5           HB1      HIS  26  -8.254  -7.015   2.643
  189   2HB   HIS   5           HB2      HIS  26  -6.719  -6.864   3.479
  190    HD1  HIS   5           HD1      HIS  26  -6.802  -6.400   5.938
  191    HD2  HIS   5           HD2      HIS  26 -10.543  -6.430   4.297
  192    HE1  HIS   5           HE1      HIS  26  -8.403  -6.430   7.831
  193    H    LEU   6           HN       LEU  27  -5.372  -5.664   1.803
  194    HA   LEU   6           HA       LEU  27  -6.130  -5.366  -1.068
  195   1HB   LEU   6           HB1      LEU  27  -3.514  -4.872   0.403
  196   2HB   LEU   6           HB2      LEU  27  -3.732  -4.700  -1.328
  197    HG   LEU   6           HG       LEU  27  -5.445  -3.149   0.633
  198   1HD1  LEU   6          HD11      LEU  27  -2.962  -2.239  -0.877
  199   2HD1  LEU   6          HD13      LEU  27  -4.027  -1.194   0.050
  200   3HD1  LEU   6          HD12      LEU  27  -3.073  -2.421   0.855
  201   1HD2  LEU   6          HD22      LEU  27  -4.922  -2.873  -2.354
  202   2HD2  LEU   6          HD21      LEU  27  -6.417  -3.460  -1.673
  203   3HD2  LEU   6          HD23      LEU  27  -5.942  -1.801  -1.408
  204    H    CYS   7           HN       CYS  28  -3.516  -6.374  -1.457
  205    HA   CYS   7           HA       CYS  28  -2.263  -8.487  -1.354
  206   1HB   CYS   7           HB1      CYS  28  -5.051  -9.660  -1.611
  207   2HB   CYS   7           HB2      CYS  28  -3.745 -10.475  -2.403
  208    H    GLY   8           HN       GLY  29  -1.591  -9.668  -3.182
  209   1HA   GLY   8           HA1      GLY  29  -0.697  -8.770  -5.332
  210   2HA   GLY   8           HA2      GLY  29  -1.632 -10.244  -5.533
  211    H    SER   9           HN       SER  30  -1.088  -7.172  -6.463
  212    HA   SER   9           HA       SER  30  -1.757  -6.039  -8.376
  213   1HB   SER   9           HB1      SER  30  -4.344  -7.742  -8.422
  214   2HB   SER   9           HB2      SER  30  -3.748  -6.675  -9.681
  215    HG   SER   9           HG1      SER  30  -2.658  -8.321 -10.323
  216    H    HIS  10           HN       HIS  31  -4.027  -6.647  -5.837
  217    HA   HIS  10           HA       HIS  31  -5.418  -4.079  -6.290
  218   1HB   HIS  10           HB1      HIS  31  -5.620  -5.727  -3.725
  219   2HB   HIS  10           HB2      HIS  31  -6.670  -4.502  -4.479
  220    HD1  HIS  10           HD1      HIS  31  -5.342  -7.893  -5.195
  221    HD2  HIS  10           HD2      HIS  31  -8.616  -5.702  -6.248
  222    HE1  HIS  10           HE1      HIS  31  -6.789  -9.400  -6.540
  223    H    LEU  11           HN       LEU  32  -3.042  -5.580  -4.262
  224    HA   LEU  11           HA       LEU  32  -2.459  -3.504  -2.410
  225   1HB   LEU  11           HB1      LEU  32  -1.102  -5.856  -3.478
  226   2HB   LEU  11           HB2      LEU  32   0.090  -4.588  -3.169
  227    HG   LEU  11           HG       LEU  32  -1.913  -5.675  -1.234
  228   1HD1  LEU  11          HD12      LEU  32  -0.153  -7.330  -1.882
  229   2HD1  LEU  11          HD11      LEU  32   1.102  -6.151  -1.495
  230   3HD1  LEU  11          HD13      LEU  32   0.057  -6.780  -0.231
  231   1HD2  LEU  11          HD22      LEU  32   0.527  -3.803  -0.950
  232   2HD2  LEU  11          HD21      LEU  32  -1.121  -3.246  -0.809
  233   3HD2  LEU  11          HD23      LEU  32  -0.447  -4.318   0.404
  234    H    VAL  12           HN       VAL  33  -1.234  -4.434  -5.384
  235    HA   VAL  12           HA       VAL  33   0.461  -2.269  -6.034
  236    HB   VAL  12           HB       VAL  33  -0.879  -3.921  -8.180
  237   1HG1  VAL  12          HG12      VAL  33   0.687  -2.099  -8.869
  238   2HG1  VAL  12          HG11      VAL  33   1.938  -2.815  -7.868
  239   3HG1  VAL  12          HG13      VAL  33   1.324  -3.685  -9.262
  240   1HG2  VAL  12          HG21      VAL  33  -0.182  -5.556  -6.429
  241   2HG2  VAL  12          HG23      VAL  33   0.797  -5.676  -7.876
  242   3HG2  VAL  12          HG22      VAL  33   1.441  -4.881  -6.454
  243    H    GLU  13           HN       GLU  34  -3.055  -2.374  -6.018
  244    HA   GLU  13           HA       GLU  34  -3.197  -0.238  -8.055
  245   1HB   GLU  13           HB1      GLU  34  -4.658  -2.159  -8.421
  246   2HB   GLU  13           HB2      GLU  34  -5.239  -2.118  -6.780
  247   1HG   GLU  13           HG2      GLU  34  -5.599   0.313  -8.583
  248   2HG   GLU  13           HG1      GLU  34  -6.700  -1.043  -8.735
  249    H    ALA  14           HN       ALA  35  -2.955  -1.030  -4.767
  250    HA   ALA  14           HA       ALA  35  -4.173   1.491  -3.976
  251   1HB   ALA  14           HB1      ALA  35  -3.334  -0.955  -2.385
  252   2HB   ALA  14           HB3      ALA  35  -4.142   0.434  -1.672
  253   3HB   ALA  14           HB2      ALA  35  -4.991  -0.551  -2.859
  254    H    LEU  15           HN       LEU  36  -1.396  -0.046  -4.736
  255    HA   LEU  15           HA       LEU  36   0.414   1.574  -3.079
  256   1HB   LEU  15           HB1      LEU  36   1.048  -0.715  -3.177
  257   2HB   LEU  15           HB2      LEU  36   0.532  -0.864  -4.833
  258    HG   LEU  15           HG       LEU  36   2.484   0.419  -5.613
  259   1HD1  LEU  15          HD11      LEU  36   3.355   0.277  -2.715
  260   2HD1  LEU  15          HD13      LEU  36   4.361   0.859  -4.027
  261   3HD1  LEU  15          HD12      LEU  36   2.915   1.743  -3.547
  262   1HD2  LEU  15          HD22      LEU  36   3.123  -1.984  -3.842
  263   2HD2  LEU  15          HD21      LEU  36   2.583  -2.059  -5.513
  264   3HD2  LEU  15          HD23      LEU  36   4.157  -1.404  -5.128
  265    OH   TYR  16           OH       TYR  37  -2.757   6.503 -11.783
  266    H    TYR  16           HN       TYR  37  -0.588   0.983  -6.352
  267    HA   TYR  16           HA       TYR  37   1.210   2.840  -7.650
  268   1HB   TYR  16           HB1      TYR  37   0.057   1.579  -9.347
  269   2HB   TYR  16           HB2      TYR  37  -1.440   1.528  -8.452
  270    HD1  TYR  16           HD1      TYR  37   0.618   3.694 -10.730
  271    HD2  TYR  16           HD2      TYR  37  -3.090   3.235  -8.666
  272    HE1  TYR  16           HE1      TYR  37  -0.329   5.551 -12.000
  273    HE2  TYR  16           HE2      TYR  37  -4.028   5.092  -9.933
  274    HH   TYR  16           HH       TYR  37  -3.647   6.688 -11.474
  275    H    LEU  17           HN       LEU  38  -1.806   2.990  -6.125
  276    HA   LEU  17           HA       LEU  38  -2.692   5.634  -6.532
  277   1HB   LEU  17           HB1      LEU  38  -3.726   3.364  -5.549
  278   2HB   LEU  17           HB2      LEU  38  -3.341   4.105  -4.006
  279    HG   LEU  17           HG       LEU  38  -5.142   5.247  -6.170
  280   1HD1  LEU  17          HD12      LEU  38  -6.063   3.284  -4.951
  281   2HD1  LEU  17          HD11      LEU  38  -5.731   4.067  -3.418
  282   3HD1  LEU  17          HD13      LEU  38  -6.926   4.754  -4.502
  283   1HD2  LEU  17          HD22      LEU  38  -4.599   6.308  -3.367
  284   2HD2  LEU  17          HD21      LEU  38  -4.094   7.092  -4.871
  285   3HD2  LEU  17          HD23      LEU  38  -5.793   6.932  -4.487
  286    H    VAL  18           HN       VAL  39  -0.490   4.283  -4.169
  287    HA   VAL  18           HA       VAL  39  -0.300   6.925  -2.838
  288    HB   VAL  18           HB       VAL  39  -0.872   4.538  -1.809
  289   1HG1  VAL  18          HG12      VAL  39   1.187   3.405  -2.330
  290   2HG1  VAL  18          HG11      VAL  39   2.070   4.591  -1.397
  291   3HG1  VAL  18          HG13      VAL  39   0.946   3.526  -0.592
  292   1HG2  VAL  18          HG22      VAL  39   0.812   6.680  -0.429
  293   2HG2  VAL  18          HG21      VAL  39  -0.940   6.697  -0.596
  294   3HG2  VAL  18          HG23      VAL  39  -0.174   5.499   0.422
  295    H    CYS  19           HN       CYS  40   1.797   4.469  -3.986
  296    HA   CYS  19           HA       CYS  40   4.218   6.184  -4.354
  297   1HB   CYS  19           HB1      CYS  40   4.159   3.313  -3.373
  298   2HB   CYS  19           HB2      CYS  40   5.536   4.378  -3.439
  299    H    GLY  20           HN       GLY  41   3.382   6.493  -6.237
  300   1HA   GLY  20           HA1      GLY  41   3.233   4.152  -8.060
  301   2HA   GLY  20           HA2      GLY  41   2.204   5.547  -8.217
  302    H    GLU  21           HN       GLU  42   3.813   7.566  -8.000
  303    HA   GLU  21           HA       GLU  42   5.968   7.285 -10.087
  304   1HB   GLU  21           HB1      GLU  42   5.396   9.616 -10.821
  305   2HB   GLU  21           HB2      GLU  42   4.028   8.539 -10.985
  306   1HG   GLU  21           HG2      GLU  42   3.048   9.429  -8.860
  307   2HG   GLU  21           HG1      GLU  42   4.406  10.530  -8.711
  308    NH1  ARG  22           NH1      ARG  43   6.239  13.623  -3.867
  309    NH2  ARG  22           NH2      ARG  43   6.920  14.015  -1.737
  310    H    ARG  22           HN       ARG  43   5.684   7.344  -7.065
  311    HA   ARG  22           HA       ARG  43   7.953   9.159  -6.439
  312   1HB   ARG  22           HB1      ARG  43   5.691   9.956  -5.647
  313   2HB   ARG  22           HB2      ARG  43   5.567   8.544  -4.648
  314   1HG   ARG  22           HG2      ARG  43   7.475   9.303  -3.310
  315   2HG   ARG  22           HG1      ARG  43   7.818  10.598  -4.457
  316   1HD   ARG  22           HD2      ARG  43   5.359  11.382  -4.000
  317   2HD   ARG  22           HD1      ARG  43   5.385  10.295  -2.631
  318    HE   ARG  22           HE       ARG  43   7.295  11.599  -1.724
  319   1HH1  ARG  22          HH12      ARG  43   6.013  12.985  -4.601
  320   2HH1  ARG  22          HH11      ARG  43   6.168  14.607  -4.022
  321   1HH2  ARG  22          HH22      ARG  43   7.204  13.657  -0.851
  322   2HH2  ARG  22          HH21      ARG  43   6.859  15.004  -1.885
  323    H    GLY  23           HN       GLY  44   6.449   6.124  -6.329
  324   1HA   GLY  23           HA1      GLY  44   8.701   4.968  -4.745
  325   2HA   GLY  23           HA2      GLY  44   7.052   4.437  -4.500
  326    H    PHE  24           HN       PHE  45   8.138   2.497  -4.854
  327    HA   PHE  24           HA       PHE  45   9.265   0.911  -6.208
  328   1HB   PHE  24           HB1      PHE  45   7.629  -0.704  -5.969
  329   2HB   PHE  24           HB2      PHE  45   6.993   0.575  -4.946
  330    HD1  PHE  24           HD1      PHE  45   5.347   2.381  -6.431
  331    HD2  PHE  24           HD2      PHE  45   6.146  -1.759  -7.268
  332    HE1  PHE  24           HE1      PHE  45   3.277   2.176  -7.744
  333    HE2  PHE  24           HE2      PHE  45   4.069  -1.905  -8.554
  334    HZ   PHE  24           HZ       PHE  45   2.622   0.087  -8.779
  335    H    PHE  25           HN       PHE  46   8.446  -0.740  -7.805
  336    HA   PHE  25           HA       PHE  46   8.325   0.483 -10.545
  337   1HB   PHE  25           HB1      PHE  46  10.600  -0.339  -9.880
  338   2HB   PHE  25           HB2      PHE  46   9.945  -1.951  -9.642
  339    HD1  PHE  25           HD2      PHE  46  10.834   0.603 -12.170
  340    HD2  PHE  25           HD1      PHE  46   9.339  -3.366 -11.598
  341    HE1  PHE  25           HE2      PHE  46  11.199   0.106 -14.537
  342    HE2  PHE  25           HE1      PHE  46   9.725  -3.839 -13.969
  343    HZ   PHE  25           HZ       PHE  46  10.658  -2.112 -15.444
   
 Raw file had 343 H/Q atoms
  Start of MODEL    8
    1   1H    GLY   1           HT2      GLY   1  -1.109 -12.364  -3.282
    2   2H    GLY   1           HT1      GLY   1  -1.641 -13.195  -1.913
    3   3H    GLY   1           HT3      GLY   1  -2.715 -12.927  -3.199
    4   1HA   GLY   1           HA1      GLY   1  -3.417 -11.104  -2.198
    5   2HA   GLY   1           HA2      GLY   1  -2.212 -11.344  -0.937
    6    H    ILE   2           HN       ILE   2  -2.510  -8.819  -1.204
    7    HA   ILE   2           HA       ILE   2  -0.587  -7.783  -3.211
    8    HB   ILE   2           HB       ILE   2  -1.758  -5.587  -2.435
    9   1HG1  ILE   2          HG12      ILE   2  -2.884  -6.900  -0.441
   10   2HG1  ILE   2          HG11      ILE   2  -3.761  -5.603  -1.215
   11   1HG2  ILE   2          HG21      ILE   2  -3.266  -7.556  -4.102
   12   2HG2  ILE   2          HG23      ILE   2  -3.595  -5.831  -4.017
   13   3HG2  ILE   2          HG22      ILE   2  -2.049  -6.404  -4.621
   14   1HD1  ILE   2           HD1      ILE   2  -4.167  -8.582  -1.825
   15   2HD1  ILE   2           HD3      ILE   2  -5.197  -7.556  -0.851
   16   3HD1  ILE   2           HD2      ILE   2  -5.023  -7.256  -2.579
   17    H    VAL   3           HN       VAL   3   0.344  -9.209  -1.237
   18    HA   VAL   3           HA       VAL   3   1.430  -7.306   0.796
   19    HB   VAL   3           HB       VAL   3   0.025  -9.147   1.635
   20   1HG1  VAL   3          HG12      VAL   3   0.283 -10.816  -0.085
   21   2HG1  VAL   3          HG11      VAL   3   1.967 -11.094   0.365
   22   3HG1  VAL   3          HG13      VAL   3   0.675 -11.497   1.480
   23   1HG2  VAL   3          HG22      VAL   3   2.925  -9.509   2.419
   24   2HG2  VAL   3          HG21      VAL   3   1.749  -8.397   3.105
   25   3HG2  VAL   3          HG23      VAL   3   1.516 -10.116   3.298
   26    H    GLU   4           HN       GLU   4   2.134  -9.822  -1.572
   27    HA   GLU   4           HA       GLU   4   5.004  -9.572  -1.263
   28   1HB   GLU   4           HB1      GLU   4   5.034 -11.279  -3.146
   29   2HB   GLU   4           HB2      GLU   4   3.778 -11.719  -1.992
   30   1HG   GLU   4           HG2      GLU   4   2.179 -10.231  -3.499
   31   2HG   GLU   4           HG1      GLU   4   3.441 -10.348  -4.700
   32    H    GLN   5           HN       GLN   5   3.492  -7.262  -1.980
   33    HA   GLN   5           HA       GLN   5   4.786  -6.415  -4.507
   34   1HB   GLN   5           HB1      GLN   5   2.291  -6.228  -4.533
   35   2HB   GLN   5           HB2      GLN   5   2.290  -5.488  -2.938
   36   1HG   GLN   5           HG2      GLN   5   1.831  -3.701  -4.390
   37   2HG   GLN   5           HG1      GLN   5   3.530  -3.499  -4.032
   38   1HE2  GLN   5          HE21      GLN   5   3.742  -5.212  -7.571
   39   2HE2  GLN   5          HE22      GLN   5   3.640  -6.061  -6.101
   40    H    CYS   6           HN       CYS   6   3.760  -5.374  -1.440
   41    HA   CYS   6           HA       CYS   6   6.049  -3.545  -1.034
   42   1HB   CYS   6           HB1      CYS   6   3.280  -3.609   0.149
   43   2HB   CYS   6           HB2      CYS   6   4.508  -2.418   0.594
   44    H    CYS   7           HN       CYS   7   5.465  -6.618   0.048
   45    HA   CYS   7           HA       CYS   7   6.777  -5.989   2.646
   46   1HB   CYS   7           HB1      CYS   7   4.591  -6.776   3.091
   47   2HB   CYS   7           HB2      CYS   7   4.650  -8.094   1.953
   48    H    THR   8           HN       THR   8   6.573  -7.592  -0.346
   49    HA   THR   8           HA       THR   8   9.032  -9.150   0.167
   50    HB   THR   8           HB       THR   8   7.028  -9.324  -2.186
   51    HG1  THR   8           HG1      THR   8   7.295 -11.495  -0.631
   52   1HG2  THR   8          HG22      THR   8   9.488 -10.157  -2.645
   53   2HG2  THR   8          HG21      THR   8   9.290 -11.247  -1.299
   54   3HG2  THR   8          HG23      THR   8   8.287 -11.428  -2.733
   55    H    SER   9           HN       SER   9   9.576  -6.887   0.293
   56    HA   SER   9           HA       SER   9  11.502  -5.717  -0.814
   57   1HB   SER   9           HB1      SER   9  11.110  -4.652  -3.058
   58   2HB   SER   9           HB2      SER   9  10.804  -6.368  -3.218
   59    HG   SER   9           HG1      SER   9   8.795  -5.899  -3.622
   60    H    ILE  10           HN       ILE  10  10.960  -3.220  -1.794
   61    HA   ILE  10           HA       ILE  10   9.605  -1.969   0.485
   62    HB   ILE  10           HB       ILE  10  11.052  -0.755  -1.900
   63   1HG1  ILE  10          HG12      ILE  10  12.642  -2.212  -0.778
   64   2HG1  ILE  10          HG11      ILE  10  13.056  -0.567  -0.405
   65   1HG2  ILE  10          HG21      ILE  10  10.335   0.433   0.772
   66   2HG2  ILE  10          HG23      ILE  10  11.347   1.210  -0.446
   67   3HG2  ILE  10          HG22      ILE  10   9.656   0.883  -0.774
   68   1HD1  ILE  10           HD2      ILE  10  11.930  -0.786   1.806
   69   2HD1  ILE  10           HD1      ILE  10  11.533  -2.452   1.448
   70   3HD1  ILE  10           HD3      ILE  10  13.216  -1.973   1.597
   71    H    CYS  11           HN       CYS  11   9.459  -1.529  -2.930
   72    HA   CYS  11           HA       CYS  11   7.691  -1.398  -4.490
   73   1HB   CYS  11           HB1      CYS  11   5.423  -1.980  -3.766
   74   2HB   CYS  11           HB2      CYS  11   6.403  -2.475  -2.495
   75    H    SER  12           HN       SER  12   5.987   0.505  -4.962
   76    HA   SER  12           HA       SER  12   7.182   3.087  -3.995
   77   1HB   SER  12           HB1      SER  12   7.039   3.945  -6.244
   78   2HB   SER  12           HB2      SER  12   7.534   2.286  -6.455
   79    HG   SER  12           HG1      SER  12   5.291   3.411  -7.291
   80    H    LEU  13           HN       LEU  13   5.535   4.919  -4.940
   81    HA   LEU  13           HA       LEU  13   3.107   4.641  -3.273
   82   1HB   LEU  13           HB1      LEU  13   4.037   7.054  -4.887
   83   2HB   LEU  13           HB2      LEU  13   2.822   7.027  -3.626
   84    HG   LEU  13           HG       LEU  13   5.696   6.229  -3.161
   85   1HD1  LEU  13          HD11      LEU  13   4.276   8.900  -2.654
   86   2HD1  LEU  13          HD13      LEU  13   5.913   8.527  -2.119
   87   3HD1  LEU  13          HD12      LEU  13   5.551   8.629  -3.830
   88   1HD2  LEU  13          HD22      LEU  13   3.449   7.019  -1.225
   89   2HD2  LEU  13          HD21      LEU  13   4.076   5.392  -1.421
   90   3HD2  LEU  13          HD23      LEU  13   5.101   6.652  -0.751
   91    OH   TYR  14           OH       TYR  14  -0.503   2.325 -13.047
   92    H    TYR  14           HN       TYR  14   3.807   3.669  -6.158
   93    HA   TYR  14           HA       TYR  14   1.240   4.343  -7.542
   94   1HB   TYR  14           HB1      TYR  14   3.393   4.702  -8.910
   95   2HB   TYR  14           HB2      TYR  14   3.767   3.006  -8.687
   96    HD1  TYR  14           HD2      TYR  14   0.481   4.715  -9.368
   97    HD2  TYR  14           HD1      TYR  14   3.384   1.895 -10.762
   98    HE1  TYR  14           HE2      TYR  14  -0.996   4.093 -11.216
   99    HE2  TYR  14           HE1      TYR  14   1.907   1.295 -12.588
  100    HH   TYR  14           HH       TYR  14   0.012   1.906 -13.740
  101    H    GLN  15           HN       GLN  15   3.617   1.975  -6.830
  102    HA   GLN  15           HA       GLN  15   2.197  -0.427  -7.338
  103   1HB   GLN  15           HB1      GLN  15   4.485   0.486  -5.650
  104   2HB   GLN  15           HB2      GLN  15   3.971  -1.167  -5.410
  105   1HG   GLN  15           HG2      GLN  15   5.906  -0.607  -7.088
  106   2HG   GLN  15           HG1      GLN  15   4.740  -1.797  -7.604
  107   1HE2  GLN  15          HE21      GLN  15   5.288   1.562  -9.750
  108   2HE2  GLN  15          HE22      GLN  15   6.244   1.165  -8.408
  109    H    LEU  16           HN       LEU  16   2.247   1.827  -4.749
  110    HA   LEU  16           HA       LEU  16   0.297   0.258  -3.132
  111   1HB   LEU  16           HB1      LEU  16   2.516   1.159  -2.202
  112   2HB   LEU  16           HB2      LEU  16   1.826   2.751  -2.362
  113    HG   LEU  16           HG       LEU  16   0.047   2.215  -0.732
  114   1HD1  LEU  16          HD11      LEU  16   1.331  -0.570  -0.599
  115   2HD1  LEU  16          HD13      LEU  16   0.069   0.022   0.466
  116   3HD1  LEU  16          HD12      LEU  16  -0.271  -0.227  -1.224
  117   1HD2  LEU  16          HD22      LEU  16   2.792   1.301   0.188
  118   2HD2  LEU  16          HD21      LEU  16   2.245   2.975   0.124
  119   3HD2  LEU  16          HD23      LEU  16   1.492   1.849   1.237
  120    H    GLU  17           HN       GLU  17  -0.126   1.901  -5.552
  121    HA   GLU  17           HA       GLU  17  -2.136   3.934  -4.667
  122   1HB   GLU  17           HB1      GLU  17  -0.273   4.509  -6.296
  123   2HB   GLU  17           HB2      GLU  17  -1.035   3.466  -7.466
  124   1HG   GLU  17           HG2      GLU  17  -3.076   4.841  -7.354
  125   2HG   GLU  17           HG1      GLU  17  -2.265   5.940  -6.243
  126    H    ASN  18           HN       ASN  18  -1.444   1.315  -6.739
  127    HA   ASN  18           HA       ASN  18  -4.216   0.811  -7.514
  128   1HB   ASN  18           HB1      ASN  18  -1.672  -0.726  -8.109
  129   2HB   ASN  18           HB2      ASN  18  -3.249  -1.091  -8.819
  130   1HD2  ASN  18          HD21      ASN  18  -1.035   1.511 -10.714
  131   2HD2  ASN  18          HD22      ASN  18  -0.454   0.369  -9.600
  132    OH   TYR  19           OH       TYR  19   0.679  -4.025  -1.664
  133    H    TYR  19           HN       TYR  19  -4.297   0.618  -4.936
  134    HA   TYR  19           HA       TYR  19  -4.500  -2.317  -4.300
  135   1HB   TYR  19           HB1      TYR  19  -3.820   0.099  -2.598
  136   2HB   TYR  19           HB2      TYR  19  -4.792  -1.142  -1.831
  137    HD1  TYR  19           HD1      TYR  19  -1.554  -0.644  -3.667
  138    HD2  TYR  19           HD2      TYR  19  -3.729  -3.170  -1.012
  139    HE1  TYR  19           HE1      TYR  19   0.481  -1.998  -3.219
  140    HE2  TYR  19           HE2      TYR  19  -1.732  -4.506  -0.611
  141    HH   TYR  19           HH       TYR  19   1.414  -3.543  -2.050
  142    H    CYS  20           HN       CYS  20  -6.048   0.963  -4.041
  143    HA   CYS  20           HA       CYS  20  -8.709  -0.360  -3.791
  144   1HB   CYS  20           HB1      CYS  20  -9.549   1.866  -3.284
  145   2HB   CYS  20           HB2      CYS  20  -8.168   1.505  -2.288
  146    H    ASN  21           HN       ASN  21 -10.025   2.017  -5.062
  147    HA   ASN  21           HA       ASN  21 -11.167   1.821  -7.196
  148   1HB   ASN  21           HB1      ASN  21 -10.139   4.067  -6.490
  149   2HB   ASN  21           HB2      ASN  21  -8.832   3.706  -7.597
  150   1HD2  ASN  21          HD21      ASN  21 -11.794   3.736 -10.174
  151   2HD2  ASN  21          HD22      ASN  21 -11.226   2.375  -9.346
  152   1H    PHE   1           HT2      PHE  22   5.030   5.961   2.952
  153   2H    PHE   1           HT1      PHE  22   4.597   4.340   2.732
  154   3H    PHE   1           HT3      PHE  22   4.263   5.112   4.202
  155    HA   PHE   1           HA       PHE  22   6.173   4.532   5.048
  156   1HB   PHE   1           HB1      PHE  22   7.651   2.922   3.717
  157   2HB   PHE   1           HB2      PHE  22   5.973   2.477   3.780
  158    HD1  PHE   1           HD1      PHE  22   8.031   4.724   1.449
  159    HD2  PHE   1           HD2      PHE  22   5.223   1.540   1.860
  160    HE1  PHE   1           HE1      PHE  22   7.909   4.513  -0.970
  161    HE2  PHE   1           HE2      PHE  22   5.091   1.344  -0.546
  162    HZ   PHE   1           HZ       PHE  22   6.423   2.809  -1.991
  163    H    VAL   2           HN       VAL  23   8.674   4.352   4.424
  164    HA   VAL   2           HA       VAL  23   9.483   6.934   3.269
  165    HB   VAL   2           HB       VAL  23  10.961   5.418   5.479
  166   1HG1  VAL   2          HG12      VAL  23  12.285   7.206   4.427
  167   2HG1  VAL   2          HG11      VAL  23  11.032   8.380   4.819
  168   3HG1  VAL   2          HG13      VAL  23  11.929   7.597   6.098
  169   1HG2  VAL   2          HG22      VAL  23   8.830   7.513   6.040
  170   2HG2  VAL   2          HG21      VAL  23   8.733   5.797   6.409
  171   3HG2  VAL   2          HG23      VAL  23   9.912   6.802   7.229
  172    H    ASN   3           HN       ASN  24   9.417   4.047   2.864
  173    HA   ASN   3           HA       ASN  24  10.099   2.798   0.921
  174   1HB   ASN   3           HB1      ASN  24  12.807   4.261   1.354
  175   2HB   ASN   3           HB2      ASN  24  12.693   2.818   0.399
  176   1HD2  ASN   3          HD21      ASN  24  11.548   4.487  -2.417
  177   2HD2  ASN   3          HD22      ASN  24  12.422   3.203  -1.729
  178    H    GLN   4           HN       GLN  25   9.359   1.678   2.762
  179    HA   GLN   4           HA       GLN  25  11.328  -0.161   3.993
  180   1HB   GLN   4           HB1      GLN  25  10.719   1.467   5.657
  181   2HB   GLN   4           HB2      GLN  25   9.002   1.388   5.210
  182   1HG   GLN   4           HG2      GLN  25   8.803  -0.812   6.212
  183   2HG   GLN   4           HG1      GLN  25  10.527  -0.896   6.548
  184   1HE2  GLN   4          HE21      GLN  25   8.926   2.169   8.709
  185   2HE2  GLN   4          HE22      GLN  25   9.009   2.244   7.019
  186    H    HIS   5           HN       HIS  26  10.090  -2.052   4.900
  187    HA   HIS   5           HA       HIS  26   8.310  -3.176   2.786
  188   1HB   HIS   5           HB1      HIS  26   9.513  -4.617   5.218
  189   2HB   HIS   5           HB2      HIS  26   8.755  -5.364   3.816
  190    HD1  HIS   5           HD1      HIS  26  10.289  -5.252   1.591
  191    HD2  HIS   5           HD2      HIS  26  12.211  -4.269   5.052
  192    HE1  HIS   5           HE1      HIS  26  12.707  -5.382   1.105
  193    H    LEU   6           HN       LEU  27   6.162  -3.357   3.265
  194    HA   LEU   6           HA       LEU  27   5.054  -2.474   5.865
  195   1HB   LEU   6           HB1      LEU  27   3.732  -2.876   3.169
  196   2HB   LEU   6           HB2      LEU  27   2.885  -2.454   4.636
  197    HG   LEU   6           HG       LEU  27   5.183  -0.721   3.664
  198   1HD1  LEU   6          HD12      LEU  27   3.505  -0.855   1.807
  199   2HD1  LEU   6          HD11      LEU  27   2.243  -0.393   2.932
  200   3HD1  LEU   6          HD13      LEU  27   3.518   0.731   2.553
  201   1HD2  LEU   6          HD21      LEU  27   4.235  -0.388   5.994
  202   2HD2  LEU   6          HD23      LEU  27   3.945   1.001   4.962
  203   3HD2  LEU   6          HD22      LEU  27   2.642  -0.126   5.297
  204    H    CYS   7           HN       CYS  28   3.504  -4.436   4.059
  205    HA   CYS   7           HA       CYS  28   2.819  -6.810   4.069
  206   1HB   CYS   7           HB1      CYS  28   3.732  -6.929   6.988
  207   2HB   CYS   7           HB2      CYS  28   3.377  -8.263   5.935
  208    H    GLY   8           HN       GLY  29   0.874  -7.726   4.948
  209   1HA   GLY   8           HA1      GLY  29  -1.395  -6.747   5.203
  210   2HA   GLY   8           HA2      GLY  29  -0.933  -7.691   6.585
  211    H    SER   9           HN       SER  30  -0.389  -6.565   8.562
  212    HA   SER   9           HA       SER  30  -2.157  -4.359   8.998
  213   1HB   SER   9           HB1      SER  30   0.074  -5.461  10.864
  214   2HB   SER   9           HB2      SER  30  -1.351  -4.588  11.428
  215    HG   SER   9           HG1      SER  30  -1.107  -7.177  10.745
  216    H    HIS  10           HN       HIS  31   0.804  -4.008   7.695
  217    HA   HIS  10           HA       HIS  31   1.210  -1.308   8.929
  218   1HB   HIS  10           HB1      HIS  31   2.979  -2.690   6.883
  219   2HB   HIS  10           HB2      HIS  31   3.123  -1.132   7.757
  220    HD1  HIS  10           HD1      HIS  31   2.758  -4.786   8.600
  221    HD2  HIS  10           HD2      HIS  31   4.808  -1.549  10.006
  222    HE1  HIS  10           HE1      HIS  31   4.130  -5.595  10.520
  223    H    LEU  11           HN       LEU  32   0.813  -3.250   6.091
  224    HA   LEU  11           HA       LEU  32   0.797  -1.337   4.082
  225   1HB   LEU  11           HB1      LEU  32  -0.474  -3.942   4.519
  226   2HB   LEU  11           HB2      LEU  32  -1.373  -2.979   3.357
  227    HG   LEU  11           HG       LEU  32   1.542  -3.567   3.334
  228   1HD1  LEU  11          HD11      LEU  32  -0.808  -4.692   1.725
  229   2HD1  LEU  11          HD13      LEU  32   0.882  -5.100   1.411
  230   3HD1  LEU  11          HD12      LEU  32   0.120  -5.573   2.925
  231   1HD2  LEU  11          HD21      LEU  32   0.874  -1.425   2.054
  232   2HD2  LEU  11          HD23      LEU  32   1.397  -2.668   0.936
  233   3HD2  LEU  11          HD22      LEU  32  -0.308  -2.357   1.185
  234    H    VAL  12           HN       VAL  33  -1.830  -2.541   5.974
  235    HA   VAL  12           HA       VAL  33  -3.900  -0.904   5.163
  236    HB   VAL  12           HB       VAL  33  -4.941  -1.370   7.448
  237   1HG1  VAL  12          HG12      VAL  33  -5.229  -2.949   5.559
  238   2HG1  VAL  12          HG11      VAL  33  -3.752  -3.779   6.036
  239   3HG1  VAL  12          HG13      VAL  33  -5.139  -3.763   7.102
  240   1HG2  VAL  12          HG22      VAL  33  -2.320  -2.700   7.894
  241   2HG2  VAL  12          HG21      VAL  33  -2.902  -1.294   8.768
  242   3HG2  VAL  12          HG23      VAL  33  -3.724  -2.838   8.950
  243    H    GLU  13           HN       GLU  34  -1.072   0.298   6.814
  244    HA   GLU  13           HA       GLU  34  -2.584   2.560   7.995
  245   1HB   GLU  13           HB1      GLU  34  -0.844   1.274   9.417
  246   2HB   GLU  13           HB2      GLU  34   0.372   1.725   8.251
  247   1HG   GLU  13           HG2      GLU  34  -1.254   3.689   9.960
  248   2HG   GLU  13           HG1      GLU  34   0.398   3.197  10.256
  249    H    ALA  14           HN       ALA  35  -0.139   1.373   5.853
  250    HA   ALA  14           HA       ALA  35   0.354   3.930   4.705
  251   1HB   ALA  14           HB2      ALA  35   2.131   2.158   4.815
  252   2HB   ALA  14           HB1      ALA  35   1.139   1.117   3.789
  253   3HB   ALA  14           HB3      ALA  35   1.855   2.601   3.144
  254    H    LEU  15           HN       LEU  36  -2.052   1.697   4.482
  255    HA   LEU  15           HA       LEU  36  -2.861   2.328   1.705
  256   1HB   LEU  15           HB1      LEU  36  -2.567  -0.013   2.540
  257   2HB   LEU  15           HB2      LEU  36  -3.748   0.345   3.773
  258    HG   LEU  15           HG       LEU  36  -5.568   0.299   2.379
  259   1HD1  LEU  15          HD11      LEU  36  -3.669   0.343  -0.049
  260   2HD1  LEU  15          HD13      LEU  36  -5.413   0.235  -0.160
  261   3HD1  LEU  15          HD12      LEU  36  -4.677   1.693   0.451
  262   1HD2  LEU  15          HD22      LEU  36  -3.607  -1.784   1.360
  263   2HD2  LEU  15          HD21      LEU  36  -4.641  -1.931   2.769
  264   3HD2  LEU  15          HD23      LEU  36  -5.342  -1.903   1.162
  265    OH   TYR  16           OH       TYR  37  -8.241   8.031   9.098
  266    H    TYR  16           HN       TYR  37  -3.714   2.504   5.040
  267    HA   TYR  16           HA       TYR  37  -6.359   3.671   4.864
  268   1HB   TYR  16           HB1      TYR  37  -5.639   2.854   7.089
  269   2HB   TYR  16           HB2      TYR  37  -4.208   3.885   7.044
  270    HD1  TYR  16           HD2      TYR  37  -4.441   6.324   7.356
  271    HD2  TYR  16           HD1      TYR  37  -7.858   3.778   7.567
  272    HE1  TYR  16           HE2      TYR  37  -5.730   8.137   8.350
  273    HE2  TYR  16           HE1      TYR  37  -9.149   5.623   8.579
  274    HH   TYR  16           HH       TYR  37  -8.950   7.649   9.620
  275    H    LEU  17           HN       LEU  38  -3.138   4.817   4.922
  276    HA   LEU  17           HA       LEU  38  -3.649   7.657   4.835
  277   1HB   LEU  17           HB1      LEU  38  -1.687   6.358   5.854
  278   2HB   LEU  17           HB2      LEU  38  -1.126   6.142   4.173
  279    HG   LEU  17           HG       LEU  38  -0.991   8.698   4.058
  280   1HD1  LEU  17          HD12      LEU  38  -2.517   9.136   6.059
  281   2HD1  LEU  17          HD11      LEU  38  -1.313   8.378   7.088
  282   3HD1  LEU  17          HD13      LEU  38  -0.939   9.875   6.274
  283   1HD2  LEU  17          HD21      LEU  38   0.970   7.169   4.457
  284   2HD2  LEU  17          HD23      LEU  38   1.169   8.670   5.357
  285   3HD2  LEU  17          HD22      LEU  38   0.646   7.215   6.178
  286    H    VAL  18           HN       VAL  39  -3.561   5.219   2.408
  287    HA   VAL  18           HA       VAL  39  -2.968   7.278   0.360
  288    HB   VAL  18           HB       VAL  39  -1.831   4.876   0.680
  289   1HG1  VAL  18          HG12      VAL  39  -3.835   3.552   0.168
  290   2HG1  VAL  18          HG11      VAL  39  -3.911   4.267  -1.432
  291   3HG1  VAL  18          HG13      VAL  39  -2.556   3.260  -0.993
  292   1HG2  VAL  18          HG22      VAL  39  -2.289   6.253  -2.001
  293   2HG2  VAL  18          HG21      VAL  39  -1.021   6.623  -0.833
  294   3HG2  VAL  18          HG23      VAL  39  -1.029   5.082  -1.673
  295    H    CYS  19           HN       CYS  40  -5.264   4.791   0.992
  296    HA   CYS  19           HA       CYS  40  -7.215   5.851  -0.997
  297   1HB   CYS  19           HB1      CYS  40  -6.514   2.994  -0.201
  298   2HB   CYS  19           HB2      CYS  40  -8.020   3.379  -1.010
  299    H    GLY  20           HN       GLY  41  -7.188   7.119   0.958
  300   1HA   GLY  20           HA1      GLY  41  -8.738   6.033   3.210
  301   2HA   GLY  20           HA2      GLY  41  -7.939   7.587   3.133
  302    H    GLU  21           HN       GLU  42  -9.028   8.681   0.952
  303    HA   GLU  21           HA       GLU  42 -11.914   8.951   1.669
  304   1HB   GLU  21           HB1      GLU  42 -10.289  10.981   1.461
  305   2HB   GLU  21           HB2      GLU  42 -10.281  10.684  -0.261
  306   1HG   GLU  21           HG2      GLU  42 -12.782  11.058  -0.341
  307   2HG   GLU  21           HG1      GLU  42 -12.800  11.305   1.390
  308    NH1  ARG  22           NH2      ARG  43 -12.026   8.312  -4.602
  309    NH2  ARG  22           NH1      ARG  43 -12.169   7.782  -6.825
  310    H    ARG  22           HN       ARG  43 -10.930   6.706   0.385
  311    HA   ARG  22           HA       ARG  43 -12.649   6.545  -2.014
  312   1HB   ARG  22           HB1      ARG  43 -10.342   6.755  -2.990
  313   2HB   ARG  22           HB2      ARG  43  -9.735   5.572  -1.853
  314   1HG   ARG  22           HG2      ARG  43 -10.060   4.471  -3.992
  315   2HG   ARG  22           HG1      ARG  43 -11.369   3.905  -2.987
  316   1HD   ARG  22           HD2      ARG  43 -12.321   4.473  -5.151
  317   2HD   ARG  22           HD1      ARG  43 -12.835   5.729  -4.039
  318    HE   ARG  22           HE       ARG  43 -10.458   6.094  -5.822
  319   1HH1  ARG  22          HH22      ARG  43 -11.768   8.054  -3.671
  320   2HH1  ARG  22          HH21      ARG  43 -12.426   9.212  -4.781
  321   1HH2  ARG  22          HH12      ARG  43 -11.986   7.112  -7.544
  322   2HH2  ARG  22          HH11      ARG  43 -12.589   8.664  -7.045
  323    H    GLY  23           HN       GLY  44 -10.519   5.090   0.231
  324   1HA   GLY  23           HA1      GLY  44 -10.925   3.385   1.853
  325   2HA   GLY  23           HA2      GLY  44 -12.502   3.083   1.128
  326    H    PHE  24           HN       PHE  45 -10.913   0.936   1.706
  327    HA   PHE  24           HA       PHE  45 -10.411  -0.194  -0.969
  328   1HB   PHE  24           HB1      PHE  45  -8.163  -1.155  -0.113
  329   2HB   PHE  24           HB2      PHE  45  -8.172   0.557  -0.484
  330    HD1  PHE  24           HD2      PHE  45  -8.133  -1.904   2.279
  331    HD2  PHE  24           HD1      PHE  45  -8.109   2.216   1.216
  332    HE1  PHE  24           HE2      PHE  45  -7.504  -1.303   4.587
  333    HE2  PHE  24           HE1      PHE  45  -7.497   2.814   3.488
  334    HZ   PHE  24           HZ       PHE  45  -7.177   1.061   5.198
  335    H    PHE  25           HN       PHE  46  -9.678  -2.494  -0.670
  336    HA   PHE  25           HA       PHE  46 -11.294  -3.892   1.434
  337   1HB   PHE  25           HB1      PHE  46 -11.646  -5.707  -0.285
  338   2HB   PHE  25           HB2      PHE  46 -12.430  -4.193  -0.691
  339    HD1  PHE  25           HD1      PHE  46 -11.401  -2.703  -2.475
  340    HD2  PHE  25           HD2      PHE  46  -9.876  -6.616  -1.676
  341    HE1  PHE  25           HE1      PHE  46 -10.227  -2.685  -4.606
  342    HE2  PHE  25           HE2      PHE  46  -8.696  -6.584  -3.821
  343    HZ   PHE  25           HZ       PHE  46  -8.858  -4.636  -5.288
   
 Raw file had 343 H/Q atoms
  Start of MODEL    9
    1   1H    GLY   1           HT2      GLY   1   3.935  -8.723   1.765
    2   2H    GLY   1           HT1      GLY   1   2.890  -9.865   2.473
    3   3H    GLY   1           HT3      GLY   1   4.556 -10.166   2.417
    4   1HA   GLY   1           HA1      GLY   1   4.321 -11.225   0.540
    5   2HA   GLY   1           HA2      GLY   1   2.602 -10.889   0.586
    6    H    ILE   2           HN       ILE   2   2.126  -8.469  -0.041
    7    HA   ILE   2           HA       ILE   2   3.382  -7.955  -2.733
    8    HB   ILE   2           HB       ILE   2   0.903  -6.526  -1.598
    9   1HG1  ILE   2          HG12      ILE   2   0.778  -9.123  -3.186
   10   2HG1  ILE   2          HG11      ILE   2   0.581  -9.086  -1.446
   11   1HG2  ILE   2          HG22      ILE   2   2.105  -5.792  -3.755
   12   2HG2  ILE   2          HG21      ILE   2   1.850  -7.387  -4.402
   13   3HG2  ILE   2          HG23      ILE   2   0.472  -6.336  -4.074
   14   1HD1  ILE   2           HD2      ILE   2  -1.341  -7.526  -1.677
   15   2HD1  ILE   2           HD1      ILE   2  -1.194  -7.582  -3.428
   16   3HD1  ILE   2           HD3      ILE   2  -1.610  -9.031  -2.536
   17    H    VAL   3           HN       VAL   3   5.119  -7.475  -0.959
   18    HA   VAL   3           HA       VAL   3   5.139  -4.576  -0.292
   19    HB   VAL   3           HB       VAL   3   5.392  -6.472   1.418
   20   1HG1  VAL   3          HG11      VAL   3   8.161  -6.792   0.187
   21   2HG1  VAL   3          HG13      VAL   3   7.643  -7.491   1.703
   22   3HG1  VAL   3          HG12      VAL   3   6.888  -8.008   0.219
   23   1HG2  VAL   3          HG22      VAL   3   7.526  -4.347   1.327
   24   2HG2  VAL   3          HG21      VAL   3   5.942  -4.232   2.068
   25   3HG2  VAL   3          HG23      VAL   3   7.131  -5.311   2.748
   26    H    GLU   4           HN       GLU   4   6.397  -6.950  -2.380
   27    HA   GLU   4           HA       GLU   4   8.906  -5.717  -3.106
   28   1HB   GLU   4           HB1      GLU   4   8.924  -7.444  -4.885
   29   2HB   GLU   4           HB2      GLU   4   8.338  -8.202  -3.397
   30   1HG   GLU   4           HG2      GLU   4   5.927  -7.496  -4.282
   31   2HG   GLU   4           HG1      GLU   4   6.738  -7.233  -5.805
   32    H    GLN   5           HN       GLN   5   5.872  -4.734  -3.624
   33    HA   GLN   5           HA       GLN   5   6.413  -3.570  -6.291
   34   1HB   GLN   5           HB1      GLN   5   4.446  -5.068  -5.978
   35   2HB   GLN   5           HB2      GLN   5   3.795  -4.056  -4.707
   36   1HG   GLN   5           HG2      GLN   5   2.637  -3.651  -6.870
   37   2HG   GLN   5           HG1      GLN   5   3.588  -2.223  -6.486
   38   1HE2  GLN   5          HE21      GLN   5   5.081  -2.498  -9.663
   39   2HE2  GLN   5          HE22      GLN   5   4.146  -1.563  -8.609
   40    H    CYS   6           HN       CYS   6   5.617  -2.875  -3.031
   41    HA   CYS   6           HA       CYS   6   5.759   0.070  -3.355
   42   1HB   CYS   6           HB1      CYS   6   4.899  -1.493  -0.933
   43   2HB   CYS   6           HB2      CYS   6   4.767   0.249  -1.222
   44    H    CYS   7           HN       CYS   7   7.873  -2.318  -1.728
   45    HA   CYS   7           HA       CYS   7   9.206  -0.010  -0.427
   46   1HB   CYS   7           HB1      CYS   7   8.848  -1.334   1.309
   47   2HB   CYS   7           HB2      CYS   7   8.701  -2.840   0.433
   48    H    THR   8           HN       THR   8   9.248  -2.670  -2.485
   49    HA   THR   8           HA       THR   8  12.087  -2.342  -3.109
   50    HB   THR   8           HB       THR   8  10.167  -4.431  -4.307
   51    HG1  THR   8           HG1      THR   8  11.041  -4.042  -1.761
   52   1HG2  THR   8          HG22      THR   8  12.580  -4.205  -5.199
   53   2HG2  THR   8          HG21      THR   8  13.138  -4.524  -3.568
   54   3HG2  THR   8          HG23      THR   8  12.251  -5.750  -4.452
   55    H    SER   9           HN       SER   9  10.930  -0.264  -3.612
   56    HA   SER   9           HA       SER   9  11.283   1.163  -5.644
   57   1HB   SER   9           HB1      SER   9   9.223  -0.816  -6.874
   58   2HB   SER   9           HB2      SER   9   9.584   0.766  -7.560
   59    HG   SER   9           HG1      SER   9  11.860   0.125  -7.355
   60    H    ILE  10           HN       ILE  10   8.857   2.220  -6.665
   61    HA   ILE  10           HA       ILE  10   7.357   2.767  -4.132
   62    HB   ILE  10           HB       ILE  10   7.561   4.722  -6.469
   63   1HG1  ILE  10          HG12      ILE  10   9.920   4.212  -5.806
   64   2HG1  ILE  10          HG11      ILE  10   9.463   5.857  -5.443
   65   1HG2  ILE  10          HG21      ILE  10   7.038   5.152  -3.510
   66   2HG2  ILE  10          HG23      ILE  10   7.123   6.385  -4.764
   67   3HG2  ILE  10          HG22      ILE  10   5.846   5.192  -4.793
   68   1HD1  ILE  10           HD1      ILE  10   9.518   3.591  -3.411
   69   2HD1  ILE  10           HD3      ILE  10  10.741   4.828  -3.598
   70   3HD1  ILE  10           HD2      ILE  10   9.128   5.269  -3.052
   71    H    CYS  11           HN       CYS  11   5.364   2.193  -4.127
   72    HA   CYS  11           HA       CYS  11   3.972   1.496  -6.669
   73   1HB   CYS  11           HB1      CYS  11   2.820  -0.181  -5.270
   74   2HB   CYS  11           HB2      CYS  11   4.285   0.050  -4.566
   75    H    SER  12           HN       SER  12   1.666   2.463  -6.796
   76    HA   SER  12           HA       SER  12   1.654   5.198  -5.557
   77   1HB   SER  12           HB1      SER  12   0.288   5.905  -7.470
   78   2HB   SER  12           HB2      SER  12   1.763   5.173  -8.054
   79    HG   SER  12           HG1      SER  12   0.498   3.806  -9.012
   80    H    LEU  13           HN       LEU  13  -0.700   6.117  -5.652
   81    HA   LEU  13           HA       LEU  13  -2.198   4.599  -3.690
   82   1HB   LEU  13           HB1      LEU  13  -2.959   7.114  -5.305
   83   2HB   LEU  13           HB2      LEU  13  -3.833   6.560  -3.880
   84    HG   LEU  13           HG       LEU  13  -0.888   7.247  -3.920
   85   1HD1  LEU  13          HD11      LEU  13  -3.278   8.947  -2.959
   86   2HD1  LEU  13          HD13      LEU  13  -1.600   9.397  -2.735
   87   3HD1  LEU  13          HD12      LEU  13  -2.266   9.312  -4.354
   88   1HD2  LEU  13          HD22      LEU  13  -2.835   6.900  -1.584
   89   2HD2  LEU  13          HD21      LEU  13  -1.549   5.780  -2.008
   90   3HD2  LEU  13          HD23      LEU  13  -1.166   7.383  -1.413
   91    OH   TYR  14           OH       TYR  14  -6.355   0.146 -12.473
   92    H    TYR  14           HN       TYR  14  -2.023   4.160  -6.810
   93    HA   TYR  14           HA       TYR  14  -4.826   3.206  -7.212
   94   1HB   TYR  14           HB1      TYR  14  -3.751   4.544  -9.058
   95   2HB   TYR  14           HB2      TYR  14  -2.424   3.399  -9.094
   96    HD1  TYR  14           HD2      TYR  14  -6.186   3.095  -9.059
   97    HD2  TYR  14           HD1      TYR  14  -2.511   1.922 -10.869
   98    HE1  TYR  14           HE2      TYR  14  -7.402   1.638 -10.593
   99    HE2  TYR  14           HE1      TYR  14  -3.741   0.472 -12.410
  100    HH   TYR  14           HH       TYR  14  -7.266   0.112 -12.170
  101    H    GLN  15           HN       GLN  15  -1.475   2.361  -7.620
  102    HA   GLN  15           HA       GLN  15  -1.720  -0.425  -7.889
  103   1HB   GLN  15           HB1      GLN  15   0.533   1.038  -6.441
  104   2HB   GLN  15           HB2      GLN  15   0.601  -0.608  -7.019
  105   1HG   GLN  15           HG2      GLN  15   0.351   0.069  -9.326
  106   2HG   GLN  15           HG1      GLN  15   0.203   1.762  -8.891
  107   1HE2  GLN  15          HE21      GLN  15   3.670   2.230  -8.557
  108   2HE2  GLN  15          HE22      GLN  15   2.093   2.892  -8.611
  109    H    LEU  16           HN       LEU  16  -1.461   1.398  -4.928
  110    HA   LEU  16           HA       LEU  16  -1.511  -0.986  -3.294
  111   1HB   LEU  16           HB1      LEU  16  -0.566   1.451  -2.924
  112   2HB   LEU  16           HB2      LEU  16  -2.179   1.847  -2.396
  113    HG   LEU  16           HG       LEU  16  -1.983   0.259  -0.484
  114   1HD1  LEU  16          HD11      LEU  16   0.782  -0.374  -1.613
  115   2HD1  LEU  16          HD13      LEU  16   0.125  -0.984  -0.105
  116   3HD1  LEU  16          HD12      LEU  16  -0.560  -1.493  -1.633
  117   1HD2  LEU  16          HD22      LEU  16   0.554   1.922  -0.874
  118   2HD2  LEU  16          HD21      LEU  16  -0.952   2.555  -0.272
  119   3HD2  LEU  16          HD23      LEU  16  -0.062   1.354   0.665
  120    H    GLU  17           HN       GLU  17  -3.891   0.967  -4.729
  121    HA   GLU  17           HA       GLU  17  -6.204   0.653  -3.194
  122   1HB   GLU  17           HB1      GLU  17  -5.883   1.839  -5.455
  123   2HB   GLU  17           HB2      GLU  17  -6.124   0.283  -6.207
  124   1HG   GLU  17           HG2      GLU  17  -8.167   1.940  -4.775
  125   2HG   GLU  17           HG1      GLU  17  -8.124   1.256  -6.377
  126    H    ASN  18           HN       ASN  18  -5.060  -1.474  -5.715
  127    HA   ASN  18           HA       ASN  18  -6.995  -3.563  -5.205
  128   1HB   ASN  18           HB1      ASN  18  -5.847  -4.763  -7.029
  129   2HB   ASN  18           HB2      ASN  18  -6.160  -3.097  -7.463
  130   1HD2  ASN  18          HD21      ASN  18  -2.724  -2.230  -7.584
  131   2HD2  ASN  18          HD22      ASN  18  -4.289  -1.595  -7.428
  132    OH   TYR  19           OH       TYR  19   1.300  -3.702  -3.154
  133    H    TYR  19           HN       TYR  19  -5.995  -3.345  -2.979
  134    HA   TYR  19           HA       TYR  19  -4.395  -5.838  -2.385
  135   1HB   TYR  19           HB1      TYR  19  -4.410  -3.141  -0.984
  136   2HB   TYR  19           HB2      TYR  19  -3.946  -4.601  -0.120
  137    HD1  TYR  19           HD1      TYR  19  -3.130  -3.188  -3.585
  138    HD2  TYR  19           HD2      TYR  19  -1.648  -4.859   0.069
  139    HE1  TYR  19           HE1      TYR  19  -0.855  -3.047  -4.411
  140    HE2  TYR  19           HE2      TYR  19   0.603  -4.674  -0.779
  141    HH   TYR  19           HH       TYR  19   1.909  -4.086  -2.522
  142    H    CYS  20           HN       CYS  20  -6.836  -3.595  -1.442
  143    HA   CYS  20           HA       CYS  20  -8.154  -4.356   0.691
  144   1HB   CYS  20           HB1      CYS  20  -9.493  -3.874  -1.971
  145   2HB   CYS  20           HB2      CYS  20 -10.226  -3.682  -0.409
  146    H    ASN  21           HN       ASN  21  -8.150  -6.369   1.382
  147    HA   ASN  21           HA       ASN  21  -9.450  -8.593  -0.137
  148   1HB   ASN  21           HB1      ASN  21  -7.596  -8.604   2.260
  149   2HB   ASN  21           HB2      ASN  21  -8.358 -10.067   1.645
  150   1HD2  ASN  21          HD21      ASN  21  -4.886  -9.278   0.173
  151   2HD2  ASN  21          HD22      ASN  21  -5.476  -9.039   1.747
  152   1H    PHE   1           HT1      PHE  22   1.170  13.895  -2.658
  153   2H    PHE   1           HT3      PHE  22   0.156  13.527  -3.973
  154   3H    PHE   1           HT2      PHE  22  -0.274  13.050  -2.395
  155    HA   PHE   1           HA       PHE  22   0.753  11.149  -2.660
  156   1HB   PHE   1           HB1      PHE  22   0.130  11.336  -5.042
  157   2HB   PHE   1           HB2      PHE  22   1.499  12.378  -5.365
  158    HD1  PHE   1           HD1      PHE  22   1.158   8.977  -3.675
  159    HD2  PHE   1           HD2      PHE  22   3.046  11.322  -6.708
  160    HE1  PHE   1           HE1      PHE  22   2.513   7.054  -4.339
  161    HE2  PHE   1           HE2      PHE  22   4.383   9.385  -7.360
  162    HZ   PHE   1           HZ       PHE  22   4.121   7.237  -6.178
  163    H    VAL   2           HN       VAL  23   2.682  10.149  -2.279
  164    HA   VAL   2           HA       VAL  23   5.151  11.800  -2.133
  165    HB   VAL   2           HB       VAL  23   5.550  10.702   0.124
  166   1HG1  VAL   2          HG12      VAL  23   4.430  12.945   0.014
  167   2HG1  VAL   2          HG11      VAL  23   2.857  12.174  -0.091
  168   3HG1  VAL   2          HG13      VAL  23   3.820  12.034   1.366
  169   1HG2  VAL   2          HG22      VAL  23   2.705   9.604  -0.240
  170   2HG2  VAL   2          HG21      VAL  23   4.173   8.636  -0.223
  171   3HG2  VAL   2          HG23      VAL  23   3.652   9.487   1.220
  172    H    ASN   3           HN       ASN  24   7.018  10.517  -2.354
  173    HA   ASN   3           HA       ASN  24   6.551   7.891  -3.680
  174   1HB   ASN   3           HB1      ASN  24   8.774   9.920  -4.252
  175   2HB   ASN   3           HB2      ASN  24   8.549   8.389  -5.083
  176   1HD2  ASN   3          HD21      ASN  24   6.402   9.852  -7.412
  177   2HD2  ASN   3          HD22      ASN  24   7.574   8.679  -7.052
  178    H    GLN   4           HN       GLN  25   6.761   6.923  -1.462
  179    HA   GLN   4           HA       GLN  25   9.620   6.453  -0.855
  180   1HB   GLN   4           HB1      GLN  25   8.681   8.161   0.671
  181   2HB   GLN   4           HB2      GLN  25   7.383   7.063   1.144
  182   1HG   GLN   4           HG2      GLN  25   8.897   5.600   2.256
  183   2HG   GLN   4           HG1      GLN  25  10.318   6.337   1.538
  184   1HE2  GLN   4          HE21      GLN  25   9.225   9.301   3.845
  185   2HE2  GLN   4          HE22      GLN  25   8.832   9.118   2.207
  186    H    HIS   5           HN       HIS  26   9.970   4.655   0.462
  187    HA   HIS   5           HA       HIS  26   8.626   2.310  -0.608
  188   1HB   HIS   5           HB1      HIS  26  11.002   2.631   1.247
  189   2HB   HIS   5           HB2      HIS  26  10.535   1.095   0.521
  190    HD1  HIS   5           HD1      HIS  26  10.377   1.307  -2.224
  191    HD2  HIS   5           HD2      HIS  26  12.805   3.988  -0.340
  192    HE1  HIS   5           HE1      HIS  26  11.930   2.184  -3.944
  193    H    LEU   6           HN       LEU  27   7.456   0.848   0.351
  194    HA   LEU   6           HA       LEU  27   6.516   1.249   3.152
  195   1HB   LEU   6           HB1      LEU  27   5.062  -0.077   0.830
  196   2HB   LEU   6           HB2      LEU  27   4.446   0.153   2.463
  197    HG   LEU   6           HG       LEU  27   5.131   2.457   0.609
  198   1HD1  LEU   6          HD11      LEU  27   2.458   1.219   1.369
  199   2HD1  LEU   6          HD13      LEU  27   2.647   2.659   0.394
  200   3HD1  LEU   6          HD12      LEU  27   3.175   1.102  -0.221
  201   1HD2  LEU   6          HD22      LEU  27   3.620   2.281   3.268
  202   2HD2  LEU   6          HD21      LEU  27   5.207   2.996   3.065
  203   3HD2  LEU   6          HD23      LEU  27   3.824   3.747   2.313
  204    H    CYS   7           HN       CYS  28   8.388  -0.063   3.797
  205    HA   CYS   7           HA       CYS  28   8.385  -2.918   3.078
  206   1HB   CYS   7           HB1      CYS  28  10.148  -1.501   5.039
  207   2HB   CYS   7           HB2      CYS  28  10.446  -3.032   4.259
  208    H    GLY   8           HN       GLY  29   6.167  -3.119   4.095
  209   1HA   GLY   8           HA1      GLY  29   5.183  -4.614   5.602
  210   2HA   GLY   8           HA2      GLY  29   6.458  -4.353   6.769
  211    H    SER   9           HN       SER  30   6.116  -2.867   8.330
  212    HA   SER   9           HA       SER  30   3.440  -2.282   9.042
  213   1HB   SER   9           HB1      SER  30   6.106  -1.056   9.938
  214   2HB   SER   9           HB2      SER  30   4.599  -0.728  10.805
  215    HG   SER   9           HG1      SER  30   4.808  -3.366  10.298
  216    H    HIS  10           HN       HIS  31   5.591  -0.554   7.063
  217    HA   HIS  10           HA       HIS  31   4.061   1.950   7.226
  218   1HB   HIS  10           HB1      HIS  31   6.060   1.026   5.135
  219   2HB   HIS  10           HB2      HIS  31   5.134   2.557   5.269
  220    HD1  HIS  10           HD1      HIS  31   6.550   4.275   6.514
  221    HD2  HIS  10           HD2      HIS  31   7.587   0.528   7.741
  222    HE1  HIS  10           HE1      HIS  31   8.337   4.562   8.171
  223    H    LEU  11           HN       LEU  32   4.346  -0.876   5.118
  224    HA   LEU  11           HA       LEU  32   2.585  -0.159   3.062
  225   1HB   LEU  11           HB1      LEU  32   3.479  -2.667   4.198
  226   2HB   LEU  11           HB2      LEU  32   1.791  -2.867   3.734
  227    HG   LEU  11           HG       LEU  32   4.182  -2.165   2.150
  228   1HD1  LEU  11          HD12      LEU  32   3.805  -4.603   2.708
  229   2HD1  LEU  11          HD11      LEU  32   2.165  -4.486   2.101
  230   3HD1  LEU  11          HD13      LEU  32   3.515  -4.375   0.996
  231   1HD2  LEU  11          HD22      LEU  32   1.239  -2.316   1.283
  232   2HD2  LEU  11          HD21      LEU  32   2.195  -0.859   1.229
  233   3HD2  LEU  11          HD23      LEU  32   2.557  -2.176   0.135
  234    H    VAL  12           HN       VAL  33   1.924  -1.772   5.930
  235    HA   VAL  12           HA       VAL  33  -0.927  -1.813   5.909
  236    HB   VAL  12           HB       VAL  33   1.194  -2.135   8.060
  237   1HG1  VAL  12          HG11      VAL  33  -1.820  -2.564   8.494
  238   2HG1  VAL  12          HG13      VAL  33  -0.542  -3.042   9.599
  239   3HG1  VAL  12          HG12      VAL  33  -0.834  -1.349   9.294
  240   1HG2  VAL  12          HG21      VAL  33   0.977  -3.910   6.339
  241   2HG2  VAL  12          HG23      VAL  33   0.493  -4.511   7.926
  242   3HG2  VAL  12          HG22      VAL  33  -0.717  -4.091   6.723
  243    H    GLU  13           HN       GLU  34   1.055   1.007   6.332
  244    HA   GLU  13           HA       GLU  34  -1.116   2.270   7.925
  245   1HB   GLU  13           HB1      GLU  34   1.511   2.291   8.568
  246   2HB   GLU  13           HB2      GLU  34   1.578   3.510   7.316
  247   1HG   GLU  13           HG2      GLU  34   1.242   4.446   9.634
  248   2HG   GLU  13           HG1      GLU  34  -0.031   4.945   8.542
  249    H    ALA  14           HN       ALA  35   0.511   1.833   4.993
  250    HA   ALA  14           HA       ALA  35  -0.634   4.193   3.752
  251   1HB   ALA  14           HB1      ALA  35   1.198   1.982   2.723
  252   2HB   ALA  14           HB3      ALA  35   0.776   3.405   1.771
  253   3HB   ALA  14           HB2      ALA  35   1.742   3.569   3.234
  254    H    LEU  15           HN       LEU  36  -1.221   0.975   4.394
  255    HA   LEU  15           HA       LEU  36  -3.149   0.499   2.176
  256   1HB   LEU  15           HB1      LEU  36  -1.331  -1.084   2.589
  257   2HB   LEU  15           HB2      LEU  36  -1.784  -1.181   4.277
  258    HG   LEU  15           HG       LEU  36  -3.671  -2.383   3.865
  259   1HD1  LEU  15          HD11      LEU  36  -3.071  -2.060   0.849
  260   2HD1  LEU  15          HD13      LEU  36  -4.376  -3.039   1.476
  261   3HD1  LEU  15          HD12      LEU  36  -4.418  -1.294   1.673
  262   1HD2  LEU  15          HD22      LEU  36  -1.355  -3.397   2.156
  263   2HD2  LEU  15          HD21      LEU  36  -1.561  -3.661   3.870
  264   3HD2  LEU  15          HD23      LEU  36  -2.633  -4.431   2.714
  265    OH   TYR  16           OH       TYR  37  -6.104   6.235  10.573
  266    H    TYR  16           HN       TYR  37  -2.884   1.540   5.294
  267    HA   TYR  16           HA       TYR  37  -5.515   0.837   6.383
  268   1HB   TYR  16           HB1      TYR  37  -3.964   1.019   8.158
  269   2HB   TYR  16           HB2      TYR  37  -2.973   2.174   7.279
  270    HD1  TYR  16           HD2      TYR  37  -3.472   4.571   7.315
  271    HD2  TYR  16           HD1      TYR  37  -5.795   1.813   9.606
  272    HE1  TYR  16           HE2      TYR  37  -4.376   6.411   8.611
  273    HE2  TYR  16           HE1      TYR  37  -6.704   3.682  10.907
  274    HH   TYR  16           HH       TYR  37  -6.763   5.897  11.182
  275    H    LEU  17           HN       LEU  38  -3.779   3.151   4.614
  276    HA   LEU  17           HA       LEU  38  -5.687   5.357   4.824
  277   1HB   LEU  17           HB1      LEU  38  -3.257   5.772   4.738
  278   2HB   LEU  17           HB2      LEU  38  -3.211   4.904   3.183
  279    HG   LEU  17           HG       LEU  38  -4.722   6.667   2.213
  280   1HD1  LEU  17          HD12      LEU  38  -5.629   7.661   4.331
  281   2HD1  LEU  17          HD11      LEU  38  -4.024   8.243   4.736
  282   3HD1  LEU  17          HD13      LEU  38  -4.846   8.862   3.319
  283   1HD2  LEU  17          HD21      LEU  38  -2.303   6.600   1.802
  284   2HD2  LEU  17          HD23      LEU  38  -2.863   8.264   1.890
  285   3HD2  LEU  17          HD22      LEU  38  -1.992   7.553   3.242
  286    H    VAL  18           HN       VAL  39  -4.710   2.861   2.557
  287    HA   VAL  18           HA       VAL  39  -6.547   3.905   0.535
  288    HB   VAL  18           HB       VAL  39  -4.027   2.772   0.338
  289   1HG1  VAL  18          HG12      VAL  39  -4.870   0.473   0.667
  290   2HG1  VAL  18          HG11      VAL  39  -5.951   0.679  -0.707
  291   3HG1  VAL  18          HG13      VAL  39  -4.214   0.712  -0.945
  292   1HG2  VAL  18          HG22      VAL  39  -6.163   2.982  -1.816
  293   2HG2  VAL  18          HG21      VAL  39  -5.054   4.259  -1.333
  294   3HG2  VAL  18          HG23      VAL  39  -4.444   2.827  -2.133
  295    H    CYS  19           HN       CYS  40  -6.145   0.952   2.321
  296    HA   CYS  19           HA       CYS  40  -8.871   0.014   1.448
  297   1HB   CYS  19           HB1      CYS  40  -6.427  -1.565   2.251
  298   2HB   CYS  19           HB2      CYS  40  -8.019  -2.292   2.012
  299    H    GLY  20           HN       GLY  41  -7.750   1.704   3.582
  300   1HA   GLY  20           HA1      GLY  41  -7.632   1.262   6.097
  301   2HA   GLY  20           HA2      GLY  41  -8.800   2.400   5.503
  302    H    GLU  21           HN       GLU  42 -10.932   1.411   5.087
  303    HA   GLU  21           HA       GLU  42 -11.635  -0.553   7.258
  304   1HB   GLU  21           HB1      GLU  42 -13.764   0.550   7.464
  305   2HB   GLU  21           HB2      GLU  42 -12.503   1.741   7.659
  306   1HG   GLU  21           HG2      GLU  42 -14.200   1.288   5.148
  307   2HG   GLU  21           HG1      GLU  42 -14.350   2.622   6.249
  308    NH1  ARG  22           NH2      ARG  43 -14.059   0.371  -0.796
  309    NH2  ARG  22           NH1      ARG  43 -14.018   2.577  -0.249
  310    H    ARG  22           HN       ARG  43 -10.833  -1.318   4.721
  311    HA   ARG  22           HA       ARG  43 -13.296  -2.516   3.508
  312   1HB   ARG  22           HB1      ARG  43 -10.476  -2.338   2.268
  313   2HB   ARG  22           HB2      ARG  43 -11.909  -2.858   1.446
  314   1HG   ARG  22           HG2      ARG  43 -11.219  -0.036   2.434
  315   2HG   ARG  22           HG1      ARG  43 -11.370  -0.581   0.768
  316   1HD   ARG  22           HD2      ARG  43 -13.814  -1.021   1.152
  317   2HD   ARG  22           HD1      ARG  43 -13.638  -0.350   2.770
  318    HE   ARG  22           HE       ARG  43 -13.043   1.773   1.840
  319   1HH1  ARG  22          HH22      ARG  43 -13.894  -0.585  -0.550
  320   2HH1  ARG  22          HH21      ARG  43 -14.413   0.590  -1.705
  321   1HH2  ARG  22          HH12      ARG  43 -13.810   3.296   0.412
  322   2HH2  ARG  22          HH11      ARG  43 -14.383   2.819  -1.147
  323    H    GLY  23           HN       GLY  44  -9.986  -2.854   4.282
  324   1HA   GLY  23           HA1      GLY  44  -9.118  -4.532   5.834
  325   2HA   GLY  23           HA2      GLY  44 -10.250  -5.705   5.178
  326    H    PHE  24           HN       PHE  45  -7.498  -5.739   5.357
  327    HA   PHE  24           HA       PHE  45  -6.764  -6.448   2.565
  328   1HB   PHE  24           HB1      PHE  45  -4.386  -5.439   3.171
  329   2HB   PHE  24           HB2      PHE  45  -5.669  -4.354   2.597
  330    HD1  PHE  24           HD2      PHE  45  -3.761  -5.458   5.546
  331    HD2  PHE  24           HD1      PHE  45  -6.561  -2.588   4.065
  332    HE1  PHE  24           HE2      PHE  45  -3.415  -4.086   7.546
  333    HE2  PHE  24           HE1      PHE  45  -6.184  -1.214   6.080
  334    HZ   PHE  24           HZ       PHE  45  -4.627  -1.979   7.822
  335    H    PHE  25           HN       PHE  46  -5.825  -6.507   5.982
  336    HA   PHE  25           HA       PHE  46  -5.186  -9.402   5.655
  337   1HB   PHE  25           HB1      PHE  46  -3.451  -7.313   7.042
  338   2HB   PHE  25           HB2      PHE  46  -3.288  -9.047   7.307
  339    HD1  PHE  25           HD1      PHE  46  -3.433 -10.302   4.713
  340    HD2  PHE  25           HD2      PHE  46  -1.681  -6.539   5.731
  341    HE1  PHE  25           HE1      PHE  46  -1.912 -10.477   2.798
  342    HE2  PHE  25           HE2      PHE  46  -0.158  -6.742   3.812
  343    HZ   PHE  25           HZ       PHE  46  -0.280  -8.703   2.349
   
 Raw file had 343 H/Q atoms
  Start of MODEL   10
    1   1H    GLY   1           HT1      GLY   1  -8.677   5.130   7.867
    2   2H    GLY   1           HT3      GLY   1  -9.503   3.882   8.664
    3   3H    GLY   1           HT2      GLY   1  -8.431   4.874   9.525
    4   1HA   GLY   1           HA1      GLY   1  -6.776   3.444   9.091
    5   2HA   GLY   1           HA2      GLY   1  -7.927   2.465   8.181
    6    H    ILE   2           HN       ILE   2  -5.547   2.336   7.115
    7    HA   ILE   2           HA       ILE   2  -5.400   4.413   4.969
    8    HB   ILE   2           HB       ILE   2  -3.209   2.280   5.490
    9   1HG1  ILE   2          HG12      ILE   2  -3.264   5.013   6.827
   10   2HG1  ILE   2          HG11      ILE   2  -3.694   3.571   7.713
   11   1HG2  ILE   2          HG22      ILE   2  -3.259   3.864   3.449
   12   2HG2  ILE   2          HG21      ILE   2  -3.122   5.214   4.553
   13   3HG2  ILE   2          HG23      ILE   2  -1.825   4.044   4.444
   14   1HD1  ILE   2           HD1      ILE   2  -0.999   4.106   6.415
   15   2HD1  ILE   2           HD3      ILE   2  -1.352   4.185   8.115
   16   3HD1  ILE   2           HD2      ILE   2  -1.415   2.635   7.276
   17    H    VAL   3           HN       VAL   3  -5.325   1.043   5.667
   18    HA   VAL   3           HA       VAL   3  -5.456  -0.141   3.100
   19    HB   VAL   3           HB       VAL   3  -5.045  -1.407   5.138
   20   1HG1  VAL   3          HG12      VAL   3  -6.589  -0.185   6.694
   21   2HG1  VAL   3          HG11      VAL   3  -7.971  -0.876   5.855
   22   3HG1  VAL   3          HG13      VAL   3  -6.899  -1.913   6.764
   23   1HG2  VAL   3          HG21      VAL   3  -5.976  -2.675   3.237
   24   2HG2  VAL   3          HG23      VAL   3  -6.518  -3.345   4.770
   25   3HG2  VAL   3          HG22      VAL   3  -7.608  -2.368   3.803
   26    H    GLU   4           HN       GLU   4  -8.087   1.380   4.851
   27    HA   GLU   4           HA       GLU   4 -10.025   0.296   2.982
   28   1HB   GLU   4           HB1      GLU   4 -11.674   1.673   4.257
   29   2HB   GLU   4           HB2      GLU   4 -10.632   0.810   5.382
   30   1HG   GLU   4           HG2      GLU   4  -9.189   2.822   5.627
   31   2HG   GLU   4           HG1      GLU   4 -10.183   3.719   4.514
   32    H    GLN   5           HN       GLN   5  -7.841   2.504   2.473
   33    HA   GLN   5           HA       GLN   5  -9.589   4.256   0.808
   34   1HB   GLN   5           HB1      GLN   5  -7.999   5.357   2.429
   35   2HB   GLN   5           HB2      GLN   5  -6.644   4.454   1.775
   36   1HG   GLN   5           HG2      GLN   5  -6.614   6.707   0.952
   37   2HG   GLN   5           HG1      GLN   5  -6.951   5.644  -0.391
   38   1HE2  GLN   5          HE21      GLN   5 -10.020   7.250  -1.101
   39   2HE2  GLN   5          HE22      GLN   5  -8.830   6.169  -1.624
   40    H    CYS   6           HN       CYS   6  -6.651   2.329   0.991
   41    HA   CYS   6           HA       CYS   6  -6.433   1.887  -1.837
   42   1HB   CYS   6           HB1      CYS   6  -5.107   0.241   0.411
   43   2HB   CYS   6           HB2      CYS   6  -4.700   0.209  -1.295
   44    H    CYS   7           HN       CYS   7  -8.767   0.213   0.318
   45    HA   CYS   7           HA       CYS   7  -8.799  -1.901  -1.795
   46   1HB   CYS   7           HB1      CYS   7  -7.936  -2.652   0.487
   47   2HB   CYS   7           HB2      CYS   7  -9.581  -2.460   1.044
   48    H    THR   8           HN       THR   8 -10.399   0.059   0.539
   49    HA   THR   8           HA       THR   8 -13.020  -0.756  -0.490
   50    HB   THR   8           HB       THR   8 -12.667   1.369   1.715
   51    HG1  THR   8           HG1      THR   8 -11.820  -0.094   2.992
   52   1HG2  THR   8          HG22      THR   8 -14.958   0.451   1.028
   53   2HG2  THR   8          HG21      THR   8 -14.379  -1.146   1.521
   54   3HG2  THR   8          HG23      THR   8 -14.533   0.147   2.699
   55    H    SER   9           HN       SER   9 -11.687   0.108  -2.279
   56    HA   SER   9           HA       SER   9 -12.303   1.504  -4.184
   57   1HB   SER   9           HB1      SER   9 -13.305   3.441  -2.805
   58   2HB   SER   9           HB2      SER   9 -11.678   3.843  -2.210
   59    HG   SER   9           HG1      SER   9 -11.328   4.774  -4.049
   60    H    ILE  10           HN       ILE  10 -10.093   3.584  -4.400
   61    HA   ILE  10           HA       ILE  10  -7.751   1.855  -3.693
   62    HB   ILE  10           HB       ILE  10  -7.717   3.734  -6.078
   63   1HG1  ILE  10          HG12      ILE  10  -9.743   2.300  -6.498
   64   2HG1  ILE  10          HG11      ILE  10  -8.456   2.041  -7.653
   65   1HG2  ILE  10          HG21      ILE  10  -6.200   1.194  -5.500
   66   2HG2  ILE  10          HG23      ILE  10  -6.057   2.184  -6.940
   67   3HG2  ILE  10          HG22      ILE  10  -5.649   2.854  -5.368
   68   1HD1  ILE  10           HD1      ILE  10  -9.025   0.283  -5.263
   69   2HD1  ILE  10           HD3      ILE  10  -9.440  -0.070  -6.935
   70   3HD1  ILE  10           HD2      ILE  10  -7.759   0.049  -6.457
   71    H    CYS  11           HN       CYS  11  -5.826   3.123  -3.470
   72    HA   CYS  11           HA       CYS  11  -6.308   5.856  -2.281
   73   1HB   CYS  11           HB1      CYS  11  -3.766   4.206  -1.764
   74   2HB   CYS  11           HB2      CYS  11  -4.357   5.610  -0.914
   75    H    SER  12           HN       SER  12  -4.004   7.118  -2.496
   76    HA   SER  12           HA       SER  12  -3.392   6.961  -5.420
   77   1HB   SER  12           HB1      SER  12  -2.404   9.196  -5.136
   78   2HB   SER  12           HB2      SER  12  -3.954   9.219  -4.302
   79    HG   SER  12           HG1      SER  12  -1.514   9.551  -3.268
   80    H    LEU  13           HN       LEU  13  -0.822   7.530  -5.718
   81    HA   LEU  13           HA       LEU  13   0.458   5.243  -4.502
   82   1HB   LEU  13           HB1      LEU  13   1.068   6.146  -6.818
   83   2HB   LEU  13           HB2      LEU  13   1.848   7.499  -6.036
   84    HG   LEU  13           HG       LEU  13   3.278   5.735  -4.716
   85   1HD1  LEU  13          HD11      LEU  13   2.111   3.849  -6.804
   86   2HD1  LEU  13          HD13      LEU  13   3.388   3.465  -5.675
   87   3HD1  LEU  13          HD12      LEU  13   1.772   3.780  -5.081
   88   1HD2  LEU  13          HD21      LEU  13   4.230   6.958  -6.622
   89   2HD2  LEU  13          HD23      LEU  13   4.832   5.318  -6.534
   90   3HD2  LEU  13          HD22      LEU  13   3.607   5.736  -7.721
   91    OH   TYR  14           OH       TYR  14   4.498  12.548   2.227
   92    H    TYR  14           HN       TYR  14   0.374   8.603  -3.737
   93    HA   TYR  14           HA       TYR  14   2.686   8.608  -1.965
   94   1HB   TYR  14           HB1      TYR  14   1.524  10.735  -2.899
   95   2HB   TYR  14           HB2      TYR  14   0.275  10.464  -1.707
   96    HD1  TYR  14           HD2      TYR  14   4.054  10.540  -1.793
   97    HD2  TYR  14           HD1      TYR  14   0.506  11.460   0.384
   98    HE1  TYR  14           HE2      TYR  14   5.401  11.512   0.021
   99    HE2  TYR  14           HE1      TYR  14   1.854  12.412   2.178
  100    HH   TYR  14           HH       TYR  14   3.926  13.007   2.850
  101    H    GLN  15           HN       GLN  15  -0.814   8.474  -1.606
  102    HA   GLN  15           HA       GLN  15  -0.937   8.038   1.204
  103   1HB   GLN  15           HB1      GLN  15  -2.742   6.963  -0.988
  104   2HB   GLN  15           HB2      GLN  15  -3.120   6.828   0.739
  105   1HG   GLN  15           HG2      GLN  15  -2.984   9.342   0.919
  106   2HG   GLN  15           HG1      GLN  15  -2.767   9.441  -0.810
  107   1HE2  GLN  15          HE21      GLN  15  -6.097   8.687  -1.646
  108   2HE2  GLN  15          HE22      GLN  15  -4.472   8.766  -2.164
  109    H    LEU  16           HN       LEU  16  -0.150   5.951  -1.394
  110    HA   LEU  16           HA       LEU  16  -0.147   3.486   0.155
  111   1HB   LEU  16           HB1      LEU  16  -0.776   3.426  -2.250
  112   2HB   LEU  16           HB2      LEU  16   0.773   4.120  -2.685
  113    HG   LEU  16           HG       LEU  16   1.963   2.126  -2.102
  114   1HD1  LEU  16          HD11      LEU  16  -0.664   0.972  -1.030
  115   2HD1  LEU  16          HD13      LEU  16   0.852   0.092  -1.195
  116   3HD1  LEU  16          HD12      LEU  16   0.721   1.396  -0.031
  117   1HD2  LEU  16          HD21      LEU  16   0.730   2.111  -4.275
  118   2HD2  LEU  16          HD23      LEU  16   0.846   0.483  -3.605
  119   3HD2  LEU  16          HD22      LEU  16  -0.650   1.396  -3.468
  120    H    GLU  17           HN       GLU  17   1.993   5.929  -0.749
  121    HA   GLU  17           HA       GLU  17   4.522   4.617  -0.314
  122   1HB   GLU  17           HB1      GLU  17   3.982   6.899  -1.536
  123   2HB   GLU  17           HB2      GLU  17   4.008   7.580   0.064
  124   1HG   GLU  17           HG2      GLU  17   6.310   6.280  -1.397
  125   2HG   GLU  17           HG1      GLU  17   6.087   7.918  -0.793
  126    H    ASN  18           HN       ASN  18   2.472   6.726   1.463
  127    HA   ASN  18           HA       ASN  18   3.915   6.877   3.899
  128   1HB   ASN  18           HB1      ASN  18   1.121   7.570   3.050
  129   2HB   ASN  18           HB2      ASN  18   1.620   7.831   4.720
  130   1HD2  ASN  18          HD21      ASN  18   4.110  10.065   2.494
  131   2HD2  ASN  18          HD22      ASN  18   4.327   8.382   2.490
  132    OH   TYR  19           OH       TYR  19  -3.614   1.672   2.461
  133    H    TYR  19           HN       TYR  19   3.288   4.119   3.113
  134    HA   TYR  19           HA       TYR  19   1.784   3.182   5.575
  135   1HB   TYR  19           HB1      TYR  19   2.440   1.717   2.992
  136   2HB   TYR  19           HB2      TYR  19   2.078   0.841   4.487
  137    HD1  TYR  19           HD1      TYR  19   0.669   3.048   1.933
  138    HD2  TYR  19           HD2      TYR  19  -0.277   0.465   5.181
  139    HE1  TYR  19           HE1      TYR  19  -1.722   3.004   1.259
  140    HE2  TYR  19           HE2      TYR  19  -2.617   0.470   4.493
  141    HH   TYR  19           HH       TYR  19  -3.984   0.883   2.860
  142    H    CYS  20           HN       CYS  20   4.702   3.051   3.649
  143    HA   CYS  20           HA       CYS  20   6.419   1.293   4.334
  144   1HB   CYS  20           HB1      CYS  20   6.744   4.249   4.149
  145   2HB   CYS  20           HB2      CYS  20   8.142   3.278   4.468
  146    H    ASN  21           HN       ASN  21   8.385   1.409   5.451
  147    HA   ASN  21           HA       ASN  21   8.076   1.969   8.395
  148   1HB   ASN  21           HB1      ASN  21   7.784  -0.494   7.856
  149   2HB   ASN  21           HB2      ASN  21   9.380  -0.509   7.142
  150   1HD2  ASN  21          HD21      ASN  21   9.031  -1.307  10.993
  151   2HD2  ASN  21          HD22      ASN  21   7.782  -1.422   9.853
  152   1H    PHE   1           HT1      PHE  22   4.377   1.389  -9.824
  153   2H    PHE   1           HT3      PHE  22   4.967  -0.177  -9.537
  154   3H    PHE   1           HT2      PHE  22   5.116   0.519 -11.081
  155    HA   PHE   1           HA       PHE  22   3.194  -0.275 -11.701
  156   1HB   PHE   1           HB1      PHE  22   2.216  -2.053 -10.413
  157   2HB   PHE   1           HB2      PHE  22   3.901  -2.079  -9.975
  158    HD1  PHE   1           HD2      PHE  22   4.255  -0.111  -7.828
  159    HD2  PHE   1           HD1      PHE  22   0.907  -2.629  -8.652
  160    HE1  PHE   1           HE2      PHE  22   3.561   0.026  -5.487
  161    HE2  PHE   1           HE1      PHE  22   0.230  -2.488  -6.320
  162    HZ   PHE   1           HZ       PHE  22   1.529  -1.165  -4.739
  163    H    VAL   2           HN       VAL  23   0.729  -0.567 -10.384
  164    HA   VAL   2           HA       VAL  23  -0.130   2.241  -9.836
  165    HB   VAL   2           HB       VAL  23  -2.375   1.400 -10.762
  166   1HG1  VAL   2          HG11      VAL  23   0.016   1.224 -12.628
  167   2HG1  VAL   2          HG13      VAL  23  -1.659   1.506 -13.097
  168   3HG1  VAL   2          HG12      VAL  23  -0.800   2.708 -12.145
  169   1HG2  VAL   2          HG21      VAL  23  -1.903  -1.060 -10.417
  170   2HG2  VAL   2          HG23      VAL  23  -2.327  -0.696 -12.078
  171   3HG2  VAL   2          HG22      VAL  23  -0.653  -0.975 -11.650
  172    H    ASN   3           HN       ASN  24  -2.561   1.865  -8.924
  173    HA   ASN   3           HA       ASN  24  -2.196   0.331  -6.355
  174   1HB   ASN   3           HB1      ASN  24  -3.975   2.751  -6.978
  175   2HB   ASN   3           HB2      ASN  24  -3.786   1.983  -5.388
  176   1HD2  ASN   3          HD21      ASN  24  -0.980   3.873  -4.572
  177   2HD2  ASN   3          HD22      ASN  24  -2.234   2.851  -4.049
  178    H    GLN   4           HN       GLN  25  -4.297  -0.653  -5.584
  179    HA   GLN   4           HA       GLN  25  -6.397  -1.219  -7.545
  180   1HB   GLN   4           HB1      GLN  25  -4.623  -2.790  -8.264
  181   2HB   GLN   4           HB2      GLN  25  -4.361  -3.325  -6.617
  182   1HG   GLN   4           HG2      GLN  25  -6.655  -4.357  -6.630
  183   2HG   GLN   4           HG1      GLN  25  -6.826  -3.860  -8.312
  184   1HE2  GLN   4          HE21      GLN  25  -4.630  -7.094  -7.259
  185   2HE2  GLN   4          HE22      GLN  25  -5.428  -6.137  -6.099
  186    H    HIS   5           HN       HIS  26  -7.841  -3.047  -6.342
  187    HA   HIS   5           HA       HIS  26  -8.524  -1.931  -3.730
  188   1HB   HIS   5           HB1      HIS  26  -9.613  -4.384  -5.204
  189   2HB   HIS   5           HB2      HIS  26 -10.276  -3.730  -3.708
  190    HD1  HIS   5           HD1      HIS  26 -10.884  -1.032  -4.073
  191    HD2  HIS   5           HD2      HIS  26 -10.969  -3.422  -7.381
  192    HE1  HIS   5           HE1      HIS  26 -12.269   0.155  -5.769
  193    H    LEU   6           HN       LEU  27  -6.666  -2.285  -2.697
  194    HA   LEU   6           HA       LEU  27  -5.640  -4.989  -2.148
  195   1HB   LEU   6           HB1      LEU  27  -4.393  -2.325  -1.502
  196   2HB   LEU   6           HB2      LEU  27  -3.676  -3.921  -1.281
  197    HG   LEU   6           HG       LEU  27  -4.461  -3.053  -4.053
  198   1HD1  LEU   6          HD11      LEU  27  -1.911  -2.434  -2.485
  199   2HD1  LEU   6          HD13      LEU  27  -2.153  -2.145  -4.195
  200   3HD1  LEU   6          HD12      LEU  27  -3.103  -1.249  -3.018
  201   1HD2  LEU   6          HD22      LEU  27  -2.250  -4.820  -2.918
  202   2HD2  LEU   6          HD21      LEU  27  -3.737  -5.409  -3.632
  203   3HD2  LEU   6          HD23      LEU  27  -2.568  -4.554  -4.621
  204    H    CYS   7           HN       CYS  28  -7.124  -5.687  -0.489
  205    HA   CYS   7           HA       CYS  28  -7.308  -4.089   1.977
  206   1HB   CYS   7           HB1      CYS  28  -8.185  -6.896   1.205
  207   2HB   CYS   7           HB2      CYS  28  -8.425  -6.248   2.810
  208    H    GLY   8           HN       GLY  29  -6.439  -5.178   4.037
  209   1HA   GLY   8           HA1      GLY  29  -3.953  -5.299   4.600
  210   2HA   GLY   8           HA2      GLY  29  -4.901  -6.684   5.106
  211    H    SER   9           HN       SER  30  -4.806  -8.575   3.490
  212    HA   SER   9           HA       SER  30  -1.994  -9.091   3.077
  213   1HB   SER   9           HB1      SER  30  -2.862 -11.425   2.387
  214   2HB   SER   9           HB2      SER  30  -3.641 -10.876   3.881
  215    HG   SER   9           HG1      SER  30  -4.593 -10.709   1.228
  216    H    HIS  10           HN       HIS  31  -3.932  -7.566   0.956
  217    HA   HIS  10           HA       HIS  31  -2.543  -8.760  -1.432
  218   1HB   HIS  10           HB1      HIS  31  -4.645  -6.561  -1.302
  219   2HB   HIS  10           HB2      HIS  31  -3.660  -7.186  -2.677
  220    HD1  HIS  10           HD1      HIS  31  -4.399  -9.697  -3.348
  221    HD2  HIS  10           HD2      HIS  31  -6.896  -8.021  -0.594
  222    HE1  HIS  10           HE1      HIS  31  -6.386 -11.133  -3.260
  223    H    LEU  11           HN       LEU  32  -3.284  -5.892   0.437
  224    HA   LEU  11           HA       LEU  32  -1.702  -3.908  -0.722
  225   1HB   LEU  11           HB1      LEU  32  -2.430  -4.567   2.041
  226   2HB   LEU  11           HB2      LEU  32  -0.935  -3.643   1.952
  227    HG   LEU  11           HG       LEU  32  -3.491  -2.935   0.598
  228   1HD1  LEU  11          HD11      LEU  32  -2.334  -1.984   3.271
  229   2HD1  LEU  11          HD13      LEU  32  -3.778  -1.310   2.501
  230   3HD1  LEU  11          HD12      LEU  32  -3.770  -2.976   3.062
  231   1HD2  LEU  11          HD21      LEU  32  -1.384  -1.866  -0.354
  232   2HD2  LEU  11          HD23      LEU  32  -2.379  -0.661   0.447
  233   3HD2  LEU  11          HD22      LEU  32  -0.968  -1.316   1.246
  234    H    VAL  12           HN       VAL  33  -0.727  -6.097   1.756
  235    HA   VAL  12           HA       VAL  33   1.915  -5.899   1.922
  236    HB   VAL  12           HB       VAL  33   0.014  -8.252   1.944
  237   1HG1  VAL  12          HG11      VAL  33   2.968  -8.600   2.640
  238   2HG1  VAL  12          HG13      VAL  33   1.672  -9.761   2.918
  239   3HG1  VAL  12          HG12      VAL  33   2.161  -9.368   1.286
  240   1HG2  VAL  12          HG21      VAL  33   0.059  -6.529   3.720
  241   2HG2  VAL  12          HG23      VAL  33   0.553  -8.098   4.353
  242   3HG2  VAL  12          HG22      VAL  33   1.763  -6.875   4.010
  243    H    GLU  13           HN       GLU  34   0.646  -6.889  -1.249
  244    HA   GLU  13           HA       GLU  34   3.382  -7.853  -1.926
  245   1HB   GLU  13           HB1      GLU  34   1.403  -9.341  -2.555
  246   2HB   GLU  13           HB2      GLU  34   0.688  -8.015  -3.451
  247   1HG   GLU  13           HG2      GLU  34   3.335  -9.438  -4.079
  248   2HG   GLU  13           HG1      GLU  34   1.838  -9.622  -4.956
  249    H    ALA  14           HN       ALA  35   0.770  -5.671  -2.464
  250    HA   ALA  14           HA       ALA  35   2.209  -4.134  -4.412
  251   1HB   ALA  14           HB1      ALA  35  -0.388  -3.713  -2.941
  252   2HB   ALA  14           HB3      ALA  35   0.111  -2.705  -4.279
  253   3HB   ALA  14           HB2      ALA  35  -0.214  -4.409  -4.556
  254    H    LEU  15           HN       LEU  36   2.174  -4.359  -1.122
  255    HA   LEU  15           HA       LEU  36   2.882  -1.587  -0.536
  256   1HB   LEU  15           HB1      LEU  36   1.076  -2.742   0.698
  257   2HB   LEU  15           HB2      LEU  36   2.145  -4.062   1.072
  258    HG   LEU  15           HG       LEU  36   3.440  -2.821   2.479
  259   1HD1  LEU  15          HD12      LEU  36   3.425  -0.567   1.262
  260   2HD1  LEU  15          HD11      LEU  36   1.744  -0.342   1.740
  261   3HD1  LEU  15          HD13      LEU  36   3.019  -0.366   2.947
  262   1HD2  LEU  15          HD22      LEU  36   0.517  -2.159   3.004
  263   2HD2  LEU  15          HD21      LEU  36   1.375  -3.623   3.472
  264   3HD2  LEU  15          HD23      LEU  36   1.804  -2.080   4.202
  265    OH   TYR  16           OH       TYR  37  11.681  -7.587  -1.901
  266    H    TYR  16           HN       TYR  37   4.128  -4.570  -1.341
  267    HA   TYR  16           HA       TYR  37   6.770  -4.223  -0.036
  268   1HB   TYR  16           HB1      TYR  37   5.913  -6.566  -0.143
  269   2HB   TYR  16           HB2      TYR  37   5.587  -6.456  -1.853
  270    HD1  TYR  16           HD2      TYR  37   7.674  -6.179  -3.451
  271    HD2  TYR  16           HD1      TYR  37   8.039  -6.940   0.728
  272    HE1  TYR  16           HE2      TYR  37  10.007  -6.805  -3.768
  273    HE2  TYR  16           HE1      TYR  37  10.388  -7.573   0.413
  274    HH   TYR  16           HH       TYR  37  12.164  -7.448  -1.086
  275    H    LEU  17           HN       LEU  38   5.171  -4.538  -3.184
  276    HA   LEU  17           HA       LEU  38   7.270  -3.807  -4.847
  277   1HB   LEU  17           HB1      LEU  38   4.789  -4.618  -5.326
  278   2HB   LEU  17           HB2      LEU  38   4.443  -2.884  -5.306
  279    HG   LEU  17           HG       LEU  38   5.501  -2.469  -7.357
  280   1HD1  LEU  17          HD11      LEU  38   7.175  -5.002  -6.981
  281   2HD1  LEU  17          HD13      LEU  38   7.253  -3.918  -8.360
  282   3HD1  LEU  17          HD12      LEU  38   7.760  -3.357  -6.791
  283   1HD2  LEU  17          HD22      LEU  38   4.763  -5.440  -7.530
  284   2HD2  LEU  17          HD21      LEU  38   3.630  -4.116  -7.737
  285   3HD2  LEU  17          HD23      LEU  38   4.919  -4.359  -8.901
  286    H    VAL  18           HN       VAL  39   5.517  -1.853  -2.662
  287    HA   VAL  18           HA       VAL  39   6.584   0.629  -3.878
  288    HB   VAL  18           HB       VAL  39   4.060   0.175  -3.236
  289   1HG1  VAL  18          HG12      VAL  39   4.415  -0.397  -0.910
  290   2HG1  VAL  18          HG11      VAL  39   5.016   1.226  -0.591
  291   3HG1  VAL  18          HG13      VAL  39   3.359   0.991  -1.062
  292   1HG2  VAL  18          HG22      VAL  39   5.518   2.787  -2.583
  293   2HG2  VAL  18          HG21      VAL  39   4.975   2.311  -4.182
  294   3HG2  VAL  18          HG23      VAL  39   3.804   2.687  -2.933
  295    H    CYS  19           HN       CYS  40   6.305  -1.023  -0.872
  296    HA   CYS  19           HA       CYS  40   8.549   0.567   0.345
  297   1HB   CYS  19           HB1      CYS  40   6.070  -0.575   1.710
  298   2HB   CYS  19           HB2      CYS  40   7.462   0.112   2.541
  299    H    GLY  20           HN       GLY  41   9.182  -1.311  -1.171
  300   1HA   GLY  20           HA1      GLY  41   9.350  -3.914   0.129
  301   2HA   GLY  20           HA2      GLY  41   9.954  -3.440  -1.457
  302    H    GLU  21           HN       GLU  42  11.260  -4.851   0.400
  303    HA   GLU  21           HA       GLU  42  13.148  -5.064   1.769
  304   1HB   GLU  21           HB1      GLU  42  14.168  -3.179  -0.494
  305   2HB   GLU  21           HB2      GLU  42  15.258  -4.110   0.496
  306   1HG   GLU  21           HG2      GLU  42  13.167  -5.339  -1.383
  307   2HG   GLU  21           HG1      GLU  42  14.815  -5.044  -1.860
  308    NH1  ARG  22           NH1      ARG  43  13.499   2.113   7.468
  309    NH2  ARG  22           NH2      ARG  43  13.904   4.227   6.690
  310    H    ARG  22           HN       ARG  43  11.436  -3.079   2.592
  311    HA   ARG  22           HA       ARG  43  13.274  -1.439   4.254
  312   1HB   ARG  22           HB1      ARG  43  12.391   0.056   2.431
  313   2HB   ARG  22           HB2      ARG  43  10.770  -0.420   2.863
  314   1HG   ARG  22           HG2      ARG  43  11.258   1.764   3.784
  315   2HG   ARG  22           HG1      ARG  43  11.144   0.628   5.109
  316   1HD   ARG  22           HD2      ARG  43  13.485   0.626   5.505
  317   2HD   ARG  22           HD1      ARG  43  13.879   1.286   3.930
  318    HE   ARG  22           HE       ARG  43  12.678   3.403   4.749
  319   1HH1  ARG  22          HH12      ARG  43  13.184   1.178   7.297
  320   2HH1  ARG  22          HH11      ARG  43  13.823   2.369   8.379
  321   1HH2  ARG  22          HH22      ARG  43  13.897   4.870   5.923
  322   2HH2  ARG  22          HH21      ARG  43  14.225   4.535   7.585
  323    H    GLY  23           HN       GLY  44  10.069  -2.489   3.619
  324   1HA   GLY  23           HA1      GLY  44   8.790  -3.834   5.266
  325   2HA   GLY  23           HA2      GLY  44   9.503  -2.860   6.555
  326    H    PHE  24           HN       PHE  45   6.806  -3.028   6.563
  327    HA   PHE  24           HA       PHE  45   5.971  -0.276   6.213
  328   1HB   PHE  24           HB1      PHE  45   3.857  -1.235   4.872
  329   2HB   PHE  24           HB2      PHE  45   5.308  -0.766   4.014
  330    HD1  PHE  24           HD2      PHE  45   3.619  -3.754   5.542
  331    HD2  PHE  24           HD1      PHE  45   6.527  -2.294   2.833
  332    HE1  PHE  24           HE2      PHE  45   3.950  -6.032   4.663
  333    HE2  PHE  24           HE1      PHE  45   6.893  -4.551   1.957
  334    HZ   PHE  24           HZ       PHE  45   5.596  -6.441   2.876
  335    H    PHE  25           HN       PHE  46   3.746   0.035   6.961
  336    HA   PHE  25           HA       PHE  46   2.817  -2.045   8.891
  337   1HB   PHE  25           HB1      PHE  46   4.105   0.006   9.985
  338   2HB   PHE  25           HB2      PHE  46   2.697   0.949   9.527
  339    HD1  PHE  25           HD1      PHE  46   3.319  -2.450  11.007
  340    HD2  PHE  25           HD2      PHE  46   1.130   1.198  11.330
  341    HE1  PHE  25           HE1      PHE  46   2.175  -3.320  12.971
  342    HE2  PHE  25           HE2      PHE  46  -0.018   0.320  13.304
  343    HZ   PHE  25           HZ       PHE  46   0.498  -1.931  14.146
   
 Raw file had 343 H/Q atoms
  Start of MODEL   11
    1   1H    GLY   1           HT1      GLY   1   1.630  -6.023  -6.411
    2   2H    GLY   1           HT3      GLY   1   0.167  -6.831  -6.701
    3   3H    GLY   1           HT2      GLY   1   1.635  -7.577  -7.098
    4   1HA   GLY   1           HA1      GLY   1   1.540  -6.725  -9.122
    5   2HA   GLY   1           HA2      GLY   1   0.010  -5.978  -8.701
    6    H    ILE   2           HN       ILE   2   0.766  -4.230  -6.767
    7    HA   ILE   2           HA       ILE   2   2.437  -2.233  -8.242
    8    HB   ILE   2           HB       ILE   2   0.217  -1.754  -6.159
    9   1HG1  ILE   2          HG12      ILE   2  -0.652  -3.092  -8.164
   10   2HG1  ILE   2          HG11      ILE   2  -1.397  -1.533  -7.988
   11   1HG2  ILE   2          HG21      ILE   2   1.426   0.059  -8.320
   12   2HG2  ILE   2          HG23      ILE   2   0.122   0.496  -7.242
   13   3HG2  ILE   2          HG22      ILE   2   1.729   0.177  -6.602
   14   1HD1  ILE   2           HD1      ILE   2   0.887  -2.116  -9.934
   15   2HD1  ILE   2           HD3      ILE   2  -0.817  -2.061 -10.338
   16   3HD1  ILE   2           HD2      ILE   2  -0.002  -0.607  -9.785
   17    H    VAL   3           HN       VAL   3   4.011  -3.718  -7.197
   18    HA   VAL   3           HA       VAL   3   4.816  -2.972  -4.442
   19    HB   VAL   3           HB       VAL   3   4.507  -5.386  -4.914
   20   1HG1  VAL   3          HG11      VAL   3   6.554  -4.985  -7.113
   21   2HG1  VAL   3          HG13      VAL   3   5.901  -6.531  -6.606
   22   3HG1  VAL   3          HG12      VAL   3   4.855  -5.336  -7.348
   23   1HG2  VAL   3          HG21      VAL   3   6.367  -4.829  -3.368
   24   2HG2  VAL   3          HG23      VAL   3   6.721  -6.266  -4.299
   25   3HG2  VAL   3          HG22      VAL   3   7.481  -4.747  -4.724
   26    H    GLU   4           HN       GLU   4   5.897  -2.798  -7.774
   27    HA   GLU   4           HA       GLU   4   8.582  -1.865  -7.001
   28   1HB   GLU   4           HB1      GLU   4   9.001  -1.929  -9.425
   29   2HB   GLU   4           HB2      GLU   4   8.036  -3.342  -9.030
   30   1HG   GLU   4           HG2      GLU   4   5.953  -1.880  -9.640
   31   2HG   GLU   4           HG1      GLU   4   7.104  -0.749 -10.330
   32    H    GLN   5           HN       GLN   5   5.995  -0.527  -6.463
   33    HA   GLN   5           HA       GLN   5   6.520   2.199  -7.511
   34   1HB   GLN   5           HB1      GLN   5   4.263   1.155  -8.011
   35   2HB   GLN   5           HB2      GLN   5   4.006   0.947  -6.281
   36   1HG   GLN   5           HG2      GLN   5   3.958   3.360  -5.915
   37   2HG   GLN   5           HG1      GLN   5   4.396   3.664  -7.595
   38   1HE2  GLN   5          HE21      GLN   5   0.533   3.109  -6.682
   39   2HE2  GLN   5          HE22      GLN   5   1.730   3.392  -5.518
   40    H    CYS   6           HN       CYS   6   5.536   0.316  -4.779
   41    HA   CYS   6           HA       CYS   6   6.519   2.355  -2.895
   42   1HB   CYS   6           HB1      CYS   6   4.592   0.046  -2.523
   43   2HB   CYS   6           HB2      CYS   6   5.199   1.005  -1.180
   44    H    CYS   7           HN       CYS   7   8.058  -0.582  -3.895
   45    HA   CYS   7           HA       CYS   7   9.273  -0.563  -1.175
   46   1HB   CYS   7           HB1      CYS   7   8.136  -2.634  -1.878
   47   2HB   CYS   7           HB2      CYS   7   9.354  -2.937  -3.071
   48    H    THR   8           HN       THR   8   9.556  -0.573  -4.590
   49    HA   THR   8           HA       THR   8  12.399  -0.667  -4.646
   50    HB   THR   8           HB       THR   8  10.357   0.353  -6.741
   51    HG1  THR   8           HG1      THR   8  11.742  -1.917  -7.212
   52   1HG2  THR   8          HG21      THR   8  13.293  -0.440  -7.056
   53   2HG2  THR   8          HG23      THR   8  12.252   0.065  -8.379
   54   3HG2  THR   8          HG22      THR   8  12.758   1.225  -7.166
   55    H    SER   9           HN       SER   9  10.136   1.518  -3.711
   56    HA   SER   9           HA       SER   9  11.997   3.736  -3.215
   57   1HB   SER   9           HB1      SER   9   9.578   3.898  -5.058
   58   2HB   SER   9           HB2      SER   9  10.159   5.353  -4.241
   59    HG   SER   9           HG1      SER   9  12.297   4.133  -5.090
   60    H    ILE  10           HN       ILE  10  10.099   5.560  -2.345
   61    HA   ILE  10           HA       ILE  10   9.055   4.151   0.045
   62    HB   ILE  10           HB       ILE  10   8.638   7.099  -0.027
   63   1HG1  ILE  10          HG12      ILE  10  10.823   7.136  -1.290
   64   2HG1  ILE  10          HG11      ILE  10  10.869   7.914   0.271
   65   1HG2  ILE  10          HG21      ILE  10  10.059   5.228   1.895
   66   2HG2  ILE  10          HG23      ILE  10   9.658   6.901   2.236
   67   3HG2  ILE  10          HG22      ILE  10   8.378   5.715   1.965
   68   1HD1  ILE  10           HD2      ILE  10  12.016   5.954   1.233
   69   2HD1  ILE  10           HD1      ILE  10  11.967   5.174  -0.352
   70   3HD1  ILE  10           HD3      ILE  10  12.894   6.636  -0.124
   71    H    CYS  11           HN       CYS  11   8.093   6.101  -2.614
   72    HA   CYS  11           HA       CYS  11   6.084   6.495  -3.727
   73   1HB   CYS  11           HB1      CYS  11   4.605   4.549  -3.788
   74   2HB   CYS  11           HB2      CYS  11   6.028   4.052  -3.082
   75    H    SER  12           HN       SER  12   3.572   7.121  -2.999
   76    HA   SER  12           HA       SER  12   3.957   8.825  -0.546
   77   1HB   SER  12           HB1      SER  12   2.810  10.618  -1.580
   78   2HB   SER  12           HB2      SER  12   3.775   9.941  -2.865
   79    HG   SER  12           HG1      SER  12   1.083   9.948  -2.564
   80    H    LEU  13           HN       LEU  13   2.047   9.665   0.422
   81    HA   LEU  13           HA       LEU  13   0.280   7.512   1.288
   82   1HB   LEU  13           HB1      LEU  13  -0.506   9.003   2.918
   83   2HB   LEU  13           HB2      LEU  13   1.219   9.211   2.786
   84    HG   LEU  13           HG       LEU  13  -0.820  11.123   1.532
   85   1HD1  LEU  13          HD12      LEU  13  -0.923  11.141   4.024
   86   2HD1  LEU  13          HD11      LEU  13   0.809  11.402   4.102
   87   3HD1  LEU  13          HD13      LEU  13  -0.240  12.639   3.433
   88   1HD2  LEU  13          HD22      LEU  13   2.200  11.438   1.979
   89   2HD2  LEU  13          HD21      LEU  13   1.424  11.265   0.416
   90   3HD2  LEU  13          HD23      LEU  13   1.139  12.683   1.374
   91    OH   TYR  14           OH       TYR  14  -4.697  10.197  -7.780
   92    H    TYR  14           HN       TYR  14   0.114   9.005  -1.395
   93    HA   TYR  14           HA       TYR  14  -2.833   9.456  -1.610
   94   1HB   TYR  14           HB1      TYR  14  -1.524  11.347  -2.632
   95   2HB   TYR  14           HB2      TYR  14  -0.438  10.231  -3.402
   96    HD1  TYR  14           HD2      TYR  14  -4.219  10.249  -3.282
   97    HD2  TYR  14           HD1      TYR  14  -0.704  10.415  -5.676
   98    HE1  TYR  14           HE2      TYR  14  -5.594  10.173  -5.315
   99    HE2  TYR  14           HE1      TYR  14  -2.070  10.326  -7.693
  100    HH   TYR  14           HH       TYR  14  -4.511   9.370  -8.228
  101    H    GLN  15           HN       GLN  15   0.037   8.253  -3.116
  102    HA   GLN  15           HA       GLN  15  -1.085   6.408  -4.879
  103   1HB   GLN  15           HB1      GLN  15   1.528   6.272  -3.319
  104   2HB   GLN  15           HB2      GLN  15   1.139   5.144  -4.603
  105   1HG   GLN  15           HG2      GLN  15   1.262   8.192  -4.894
  106   2HG   GLN  15           HG1      GLN  15   2.464   7.075  -5.510
  107   1HE2  GLN  15          HE21      GLN  15  -0.352   8.048  -8.015
  108   2HE2  GLN  15          HE22      GLN  15   0.368   9.021  -6.826
  109    H    LEU  16           HN       LEU  16  -0.145   5.843  -1.579
  110    HA   LEU  16           HA       LEU  16  -0.884   3.194  -1.224
  111   1HB   LEU  16           HB1      LEU  16  -0.692   5.562   0.557
  112   2HB   LEU  16           HB2      LEU  16  -1.828   4.393   1.156
  113    HG   LEU  16           HG       LEU  16   0.400   4.007   2.122
  114   1HD1  LEU  16          HD12      LEU  16  -1.028   2.021   1.771
  115   2HD1  LEU  16          HD11      LEU  16  -0.335   1.772   0.181
  116   3HD1  LEU  16          HD13      LEU  16   0.671   1.614   1.596
  117   1HD2  LEU  16          HD21      LEU  16   1.772   4.897   0.309
  118   2HD2  LEU  16          HD23      LEU  16   2.295   3.279   0.732
  119   3HD2  LEU  16          HD22      LEU  16   1.338   3.557  -0.727
  120    H    GLU  17           HN       GLU  17  -2.962   5.952  -1.190
  121    HA   GLU  17           HA       GLU  17  -5.464   4.835  -0.473
  122   1HB   GLU  17           HB1      GLU  17  -5.003   6.983  -2.639
  123   2HB   GLU  17           HB2      GLU  17  -6.505   6.617  -1.864
  124   1HG   GLU  17           HG2      GLU  17  -5.584   7.238   0.327
  125   2HG   GLU  17           HG1      GLU  17  -3.979   7.419  -0.340
  126    H    ASN  18           HN       ASN  18  -3.977   5.025  -3.592
  127    HA   ASN  18           HA       ASN  18  -5.917   3.785  -5.218
  128   1HB   ASN  18           HB1      ASN  18  -2.912   3.452  -5.669
  129   2HB   ASN  18           HB2      ASN  18  -4.192   3.327  -6.860
  130   1HD2  ASN  18          HD21      ASN  18  -2.551   6.808  -6.606
  131   2HD2  ASN  18          HD22      ASN  18  -1.825   5.297  -6.344
  132    OH   TYR  19           OH       TYR  19   1.765   0.999  -4.382
  133    H    TYR  19           HN       TYR  19  -4.536   2.111  -2.672
  134    HA   TYR  19           HA       TYR  19  -4.782  -0.518  -4.121
  135   1HB   TYR  19           HB1      TYR  19  -3.446  -0.098  -1.399
  136   2HB   TYR  19           HB2      TYR  19  -3.410  -1.522  -2.434
  137    HD1  TYR  19           HD1      TYR  19  -2.437   2.094  -3.083
  138    HD2  TYR  19           HD2      TYR  19  -1.276  -2.013  -3.071
  139    HE1  TYR  19           HE1      TYR  19  -0.209   2.696  -3.907
  140    HE2  TYR  19           HE2      TYR  19   0.899  -1.397  -3.855
  141    HH   TYR  19           HH       TYR  19   2.204   0.164  -4.551
  142    H    CYS  20           HN       CYS  20  -7.077   0.853  -3.428
  143    HA   CYS  20           HA       CYS  20  -8.201  -0.668  -1.206
  144   1HB   CYS  20           HB1      CYS  20  -7.803   1.906  -0.881
  145   2HB   CYS  20           HB2      CYS  20  -9.018   2.155  -2.100
  146    H    ASN  21           HN       ASN  21 -10.818   0.147  -1.607
  147    HA   ASN  21           HA       ASN  21 -12.576  -1.137  -2.617
  148   1HB   ASN  21           HB1      ASN  21 -11.817   1.193  -4.394
  149   2HB   ASN  21           HB2      ASN  21 -13.347   0.348  -4.550
  150   1HD2  ASN  21          HD21      ASN  21 -14.786   2.133  -1.860
  151   2HD2  ASN  21          HD22      ASN  21 -15.014   1.149  -3.226
  152   1H    PHE   1           HT1      PHE  22   0.291  10.937   7.259
  153   2H    PHE   1           HT3      PHE  22  -0.758   9.874   8.059
  154   3H    PHE   1           HT2      PHE  22   0.109  11.032   8.941
  155    HA   PHE   1           HA       PHE  22   1.762   9.660   9.241
  156   1HB   PHE   1           HB1      PHE  22   1.404   7.246   8.543
  157   2HB   PHE   1           HB2      PHE  22  -0.042   7.940   9.242
  158    HD1  PHE   1           HD1      PHE  22   1.593   6.974   6.128
  159    HD2  PHE   1           HD2      PHE  22  -2.056   8.246   7.845
  160    HE1  PHE   1           HE1      PHE  22   0.504   6.428   4.041
  161    HE2  PHE   1           HE2      PHE  22  -3.223   7.708   5.755
  162    HZ   PHE   1           HZ       PHE  22  -1.968   6.796   3.828
  163    H    VAL   2           HN       VAL  23   3.409   8.123   8.021
  164    HA   VAL   2           HA       VAL  23   4.224   9.491   5.506
  165    HB   VAL   2           HB       VAL  23   6.574   8.923   6.216
  166   1HG1  VAL   2          HG11      VAL  23   5.024  10.579   8.254
  167   2HG1  VAL   2          HG13      VAL  23   6.759  10.609   7.999
  168   3HG1  VAL   2          HG12      VAL  23   5.672  11.155   6.727
  169   1HG2  VAL   2          HG21      VAL  23   6.032   6.989   7.678
  170   2HG2  VAL   2          HG23      VAL  23   6.985   8.187   8.530
  171   3HG2  VAL   2          HG22      VAL  23   5.259   8.062   8.840
  172    H    ASN   3           HN       ASN  24   6.160   7.924   4.639
  173    HA   ASN   3           HA       ASN  24   4.752   5.328   4.086
  174   1HB   ASN   3           HB1      ASN  24   6.475   6.990   2.218
  175   2HB   ASN   3           HB2      ASN  24   5.836   5.389   1.864
  176   1HD2  ASN   3          HD21      ASN  24   2.774   6.624   0.828
  177   2HD2  ASN   3          HD22      ASN  24   3.980   5.431   0.725
  178    H    GLN   4           HN       GLN  25   6.111   3.591   3.242
  179    HA   GLN   4           HA       GLN  25   8.900   3.352   4.186
  180   1HB   GLN   4           HB1      GLN  25   7.451   2.438   6.052
  181   2HB   GLN   4           HB2      GLN  25   6.617   1.405   4.899
  182   1HG   GLN   4           HG2      GLN  25   8.275   0.159   6.265
  183   2HG   GLN   4           HG1      GLN  25   8.664   0.037   4.580
  184   1HE2  GLN   4          HE21      GLN  25  11.923   1.239   5.221
  185   2HE2  GLN   4          HE22      GLN  25  10.911   0.258   4.277
  186    H    HIS   5           HN       HIS  26   9.563   0.973   3.353
  187    HA   HIS   5           HA       HIS  26   8.796   0.912   0.502
  188   1HB   HIS   5           HB1      HIS  26  11.109  -0.554   1.874
  189   2HB   HIS   5           HB2      HIS  26  10.730  -0.524   0.157
  190    HD1  HIS   5           HD1      HIS  26  12.289   0.956  -0.894
  191    HD2  HIS   5           HD2      HIS  26  11.034   2.639   2.608
  192    HE1  HIS   5           HE1      HIS  26  13.338   3.185  -0.782
  193    H    LEU   6           HN       LEU  27   7.475  -0.656  -0.188
  194    HA   LEU   6           HA       LEU  27   6.694  -2.849   1.640
  195   1HB   LEU   6           HB1      LEU  27   5.123  -1.506  -0.564
  196   2HB   LEU   6           HB2      LEU  27   4.559  -2.789   0.504
  197    HG   LEU   6           HG       LEU  27   5.441  -0.033   1.420
  198   1HD1  LEU   6          HD12      LEU  27   3.281  -0.004   0.164
  199   2HD1  LEU   6          HD11      LEU  27   2.647  -1.250   1.213
  200   3HD1  LEU   6          HD13      LEU  27   3.028   0.324   1.863
  201   1HD2  LEU   6          HD22      LEU  27   4.192  -2.365   2.964
  202   2HD2  LEU   6          HD21      LEU  27   5.844  -1.792   3.151
  203   3HD2  LEU   6          HD23      LEU  27   4.516  -0.761   3.611
  204    H    CYS   7           HN       CYS  28   8.247  -4.434   0.894
  205    HA   CYS   7           HA       CYS  28   7.844  -5.441  -1.860
  206   1HB   CYS   7           HB1      CYS  28   9.817  -6.106   0.335
  207   2HB   CYS   7           HB2      CYS  28   9.672  -7.090  -1.095
  208    H    GLY   8           HN       GLY  29   6.227  -6.636  -2.144
  209   1HA   GLY   8           HA1      GLY  29   4.403  -8.028  -1.867
  210   2HA   GLY   8           HA2      GLY  29   5.663  -9.201  -1.539
  211    H    SER   9           HN       SER  30   6.229  -9.388   0.870
  212    HA   SER   9           HA       SER  30   3.744  -9.678   2.376
  213   1HB   SER   9           HB1      SER  30   5.401 -10.533   4.180
  214   2HB   SER   9           HB2      SER  30   5.686 -11.309   2.614
  215    HG   SER   9           HG1      SER  30   7.025  -9.112   2.426
  216    H    HIS  10           HN       HIS  31   5.951  -7.136   2.063
  217    HA   HIS  10           HA       HIS  31   5.147  -5.996   4.686
  218   1HB   HIS  10           HB1      HIS  31   6.671  -4.753   2.379
  219   2HB   HIS  10           HB2      HIS  31   6.070  -3.978   3.882
  220    HD1  HIS  10           HD1      HIS  31   9.007  -3.863   3.672
  221    HD2  HIS  10           HD2      HIS  31   7.296  -7.284   5.089
  222    HE1  HIS  10           HE1      HIS  31  10.773  -5.052   4.939
  223    H    LEU  11           HN       LEU  32   4.649  -5.707   1.187
  224    HA   LEU  11           HA       LEU  32   2.931  -3.518   1.078
  225   1HB   LEU  11           HB1      LEU  32   3.296  -5.953  -0.429
  226   2HB   LEU  11           HB2      LEU  32   1.626  -5.436  -0.600
  227    HG   LEU  11           HG       LEU  32   4.185  -4.146  -1.265
  228   1HD1  LEU  11          HD11      LEU  32   1.806  -5.021  -2.931
  229   2HD1  LEU  11          HD13      LEU  32   3.190  -4.188  -3.620
  230   3HD1  LEU  11          HD12      LEU  32   3.386  -5.783  -2.904
  231   1HD2  LEU  11          HD22      LEU  32   1.398  -2.907  -1.493
  232   2HD2  LEU  11          HD21      LEU  32   2.673  -2.296  -0.474
  233   3HD2  LEU  11          HD23      LEU  32   2.827  -2.186  -2.213
  234    H    VAL  12           HN       VAL  33   1.961  -6.789   1.469
  235    HA   VAL  12           HA       VAL  33  -0.762  -6.417   2.093
  236    HB   VAL  12           HB       VAL  33  -0.476  -8.751   3.293
  237   1HG1  VAL  12          HG11      VAL  33   0.289  -8.293   0.379
  238   2HG1  VAL  12          HG13      VAL  33  -0.345  -9.790   1.050
  239   3HG1  VAL  12          HG12      VAL  33  -1.348  -8.354   0.978
  240   1HG2  VAL  12          HG22      VAL  33   2.179  -8.469   2.130
  241   2HG2  VAL  12          HG21      VAL  33   1.785  -8.601   3.828
  242   3HG2  VAL  12          HG23      VAL  33   1.464  -9.940   2.741
  243    H    GLU  13           HN       GLU  34   1.709  -5.168   4.127
  244    HA   GLU  13           HA       GLU  34  -0.036  -5.552   6.474
  245   1HB   GLU  13           HB1      GLU  34   2.252  -6.419   6.940
  246   2HB   GLU  13           HB2      GLU  34   3.019  -5.131   6.061
  247   1HG   GLU  13           HG2      GLU  34   1.433  -4.660   8.631
  248   2HG   GLU  13           HG1      GLU  34   3.149  -5.003   8.628
  249    H    ALA  14           HN       ALA  35   1.510  -3.503   4.175
  250    HA   ALA  14           HA       ALA  35   0.325  -1.171   5.522
  251   1HB   ALA  14           HB1      ALA  35   2.155  -1.418   3.123
  252   2HB   ALA  14           HB3      ALA  35   1.680   0.144   3.779
  253   3HB   ALA  14           HB2      ALA  35   2.702  -0.937   4.711
  254    H    LEU  15           HN       LEU  36  -0.494  -3.524   3.401
  255    HA   LEU  15           HA       LEU  36  -2.181  -1.826   1.665
  256   1HB   LEU  15           HB1      LEU  36  -0.862  -3.562   0.544
  257   2HB   LEU  15           HB2      LEU  36  -1.304  -4.677   1.793
  258    HG   LEU  15           HG       LEU  36  -3.518  -5.024   0.995
  259   1HD1  LEU  15          HD11      LEU  36  -2.911  -3.054  -1.214
  260   2HD1  LEU  15          HD13      LEU  36  -4.359  -4.023  -1.093
  261   3HD1  LEU  15          HD12      LEU  36  -4.055  -2.770   0.091
  262   1HD2  LEU  15          HD22      LEU  36  -1.460  -5.136  -1.253
  263   2HD2  LEU  15          HD21      LEU  36  -1.714  -6.352  -0.020
  264   3HD2  LEU  15          HD23      LEU  36  -2.959  -6.045  -1.209
  265    OH   TYR  16           OH       TYR  37  -9.559  -5.266   7.729
  266    H    TYR  16           HN       TYR  37  -2.284  -3.830   4.456
  267    HA   TYR  16           HA       TYR  37  -5.251  -4.023   4.227
  268   1HB   TYR  16           HB1      TYR  37  -3.991  -6.000   5.303
  269   2HB   TYR  16           HB2      TYR  37  -3.457  -4.927   6.596
  270    HD1  TYR  16           HD1      TYR  37  -6.344  -6.233   4.741
  271    HD2  TYR  16           HD2      TYR  37  -5.183  -4.101   8.214
  272    HE1  TYR  16           HE1      TYR  37  -8.619  -6.271   5.442
  273    HE2  TYR  16           HE2      TYR  37  -7.538  -4.177   9.009
  274    HH   TYR  16           HH       TYR  37 -10.125  -5.444   6.976
  275    H    LEU  17           HN       LEU  38  -2.721  -2.727   6.244
  276    HA   LEU  17           HA       LEU  38  -4.252  -1.181   8.007
  277   1HB   LEU  17           HB1      LEU  38  -1.579  -1.621   7.585
  278   2HB   LEU  17           HB2      LEU  38  -1.665   0.026   7.009
  279    HG   LEU  17           HG       LEU  38  -1.071  -0.043   9.382
  280   1HD1  LEU  17          HD12      LEU  38  -2.628   1.783   8.794
  281   2HD1  LEU  17          HD11      LEU  38  -4.006   0.785   9.201
  282   3HD1  LEU  17          HD13      LEU  38  -2.867   1.257  10.449
  283   1HD2  LEU  17          HD21      LEU  38  -1.930  -2.301   9.933
  284   2HD2  LEU  17          HD23      LEU  38  -2.482  -1.117  11.113
  285   3HD2  LEU  17          HD22      LEU  38  -3.578  -1.726   9.890
  286    H    VAL  18           HN       VAL  39  -3.720  -0.793   4.583
  287    HA   VAL  18           HA       VAL  39  -4.751   1.976   4.692
  288    HB   VAL  18           HB       VAL  39  -2.718   1.176   3.227
  289   1HG1  VAL  18          HG12      VAL  39  -3.751  -0.644   2.041
  290   2HG1  VAL  18          HG11      VAL  39  -4.903   0.461   1.284
  291   3HG1  VAL  18          HG13      VAL  39  -3.190   0.596   0.940
  292   1HG2  VAL  18          HG22      VAL  39  -4.950   2.908   2.082
  293   2HG2  VAL  18          HG21      VAL  39  -3.668   3.480   3.150
  294   3HG2  VAL  18          HG23      VAL  39  -3.290   2.951   1.519
  295    H    CYS  19           HN       CYS  40  -5.389  -0.998   2.901
  296    HA   CYS  19           HA       CYS  40  -8.207  -0.943   3.326
  297   1HB   CYS  19           HB1      CYS  40  -7.023   0.345   0.852
  298   2HB   CYS  19           HB2      CYS  40  -8.526  -0.497   0.588
  299    H    GLY  20           HN       GLY  41  -6.404  -1.862   0.476
  300   1HA   GLY  20           HA1      GLY  41  -5.823  -4.345   0.363
  301   2HA   GLY  20           HA2      GLY  41  -7.381  -4.529   1.120
  302    H    GLU  21           HN       GLU  42  -9.130  -4.244   0.279
  303    HA   GLU  21           HA       GLU  42  -9.549  -3.345  -2.515
  304   1HB   GLU  21           HB1      GLU  42 -10.707  -5.914  -1.225
  305   2HB   GLU  21           HB2      GLU  42 -11.039  -5.361  -2.862
  306   1HG   GLU  21           HG2      GLU  42  -8.558  -5.590  -3.392
  307   2HG   GLU  21           HG1      GLU  42  -8.319  -6.259  -1.795
  308    NH1  ARG  22           NH1      ARG  43 -15.746  -2.562  -0.750
  309    NH2  ARG  22           NH2      ARG  43 -17.169  -0.790  -0.651
  310    H    ARG  22           HN       ARG  43  -9.547  -2.217  -0.037
  311    HA   ARG  22           HA       ARG  43 -10.821  -0.357   0.831
  312   1HB   ARG  22           HB1      ARG  43 -12.933  -1.081  -0.450
  313   2HB   ARG  22           HB2      ARG  43 -13.230  -2.265   0.821
  314   1HG   ARG  22           HG2      ARG  43 -13.443  -0.530   2.498
  315   2HG   ARG  22           HG1      ARG  43 -12.780   0.692   1.420
  316   1HD   ARG  22           HD2      ARG  43 -15.270   0.869   1.626
  317   2HD   ARG  22           HD1      ARG  43 -14.757   0.550  -0.023
  318    HE   ARG  22           HE       ARG  43 -15.751  -1.612   1.793
  319   1HH1  ARG  22          HH12      ARG  43 -14.979  -3.083  -0.375
  320   2HH1  ARG  22          HH11      ARG  43 -16.184  -2.865  -1.595
  321   1HH2  ARG  22          HH22      ARG  43 -17.494   0.031  -0.185
  322   2HH2  ARG  22          HH21      ARG  43 -17.597  -1.087  -1.507
  323    H    GLY  23           HN       GLY  44 -11.607  -3.611   1.286
  324   1HA   GLY  23           HA1      GLY  44 -10.267  -3.913   3.902
  325   2HA   GLY  23           HA2      GLY  44 -11.950  -4.478   3.774
  326    H    PHE  24           HN       PHE  45  -9.750  -6.214   3.986
  327    HA   PHE  24           HA       PHE  45 -10.341  -7.956   1.771
  328   1HB   PHE  24           HB1      PHE  45  -8.460  -7.719   0.375
  329   2HB   PHE  24           HB2      PHE  45  -8.590  -6.063   0.939
  330    HD1  PHE  24           HD1      PHE  45  -6.747  -5.187   2.756
  331    HD2  PHE  24           HD2      PHE  45  -6.691  -8.989   0.718
  332    HE1  PHE  24           HE1      PHE  45  -4.363  -5.537   3.232
  333    HE2  PHE  24           HE2      PHE  45  -4.322  -9.251   1.239
  334    HZ   PHE  24           HZ       PHE  45  -3.161  -7.508   2.523
  335    H    PHE  25           HN       PHE  46  -9.075  -9.917   1.828
  336    HA   PHE  25           HA       PHE  46  -8.175 -10.614   4.599
  337   1HB   PHE  25           HB1      PHE  46  -9.825 -12.269   2.647
  338   2HB   PHE  25           HB2      PHE  46  -9.259 -12.838   4.216
  339    HD1  PHE  25           HD1      PHE  46 -11.358 -10.141   2.631
  340    HD2  PHE  25           HD2      PHE  46 -10.546 -12.413   6.134
  341    HE1  PHE  25           HE1      PHE  46 -13.320  -9.147   3.727
  342    HE2  PHE  25           HE2      PHE  46 -12.509 -11.424   7.230
  343    HZ   PHE  25           HZ       PHE  46 -13.901  -9.781   6.033
   
 Raw file had 343 H/Q atoms
  Start of MODEL   12
    1   1H    GLY   1           HT1      GLY   1   1.275   5.452   9.279
    2   2H    GLY   1           HT3      GLY   1   2.147   6.857   9.673
    3   3H    GLY   1           HT2      GLY   1   0.537   6.688  10.182
    4   1HA   GLY   1           HA1      GLY   1  -0.199   7.626   8.361
    5   2HA   GLY   1           HA2      GLY   1   1.470   7.849   7.830
    6    H    ILE   2           HN       ILE   2   2.334   5.311   7.455
    7    HA   ILE   2           HA       ILE   2   0.730   4.347   5.178
    8    HB   ILE   2           HB       ILE   2   2.912   3.475   4.298
    9   1HG1  ILE   2          HG12      ILE   2   4.106   4.253   6.955
   10   2HG1  ILE   2          HG11      ILE   2   3.681   2.590   6.582
   11   1HG2  ILE   2          HG22      ILE   2   2.560   5.985   4.170
   12   2HG2  ILE   2          HG21      ILE   2   3.407   6.134   5.713
   13   3HG2  ILE   2          HG23      ILE   2   4.257   5.583   4.288
   14   1HD1  ILE   2           HD2      ILE   2   5.220   2.683   4.593
   15   2HD1  ILE   2           HD1      ILE   2   5.739   4.286   5.089
   16   3HD1  ILE   2           HD3      ILE   2   6.053   2.919   6.129
   17    H    VAL   3           HN       VAL   3   1.739   3.462   8.308
   18    HA   VAL   3           HA       VAL   3   1.076   0.585   7.843
   19    HB   VAL   3           HB       VAL   3   3.185   1.161   9.029
   20   1HG1  VAL   3          HG12      VAL   3   2.497   3.228  10.212
   21   2HG1  VAL   3          HG11      VAL   3   1.450   2.292  11.268
   22   3HG1  VAL   3          HG13      VAL   3   3.188   2.063  11.327
   23   1HG2  VAL   3          HG21      VAL   3   2.116  -0.996   9.536
   24   2HG2  VAL   3          HG23      VAL   3   2.994  -0.397  10.921
   25   3HG2  VAL   3          HG22      VAL   3   1.238  -0.291  10.879
   26    H    GLU   4           HN       GLU   4  -0.529   3.395   8.679
   27    HA   GLU   4           HA       GLU   4  -2.515   1.887  10.322
   28   1HB   GLU   4           HB1      GLU   4  -3.142   4.077  11.291
   29   2HB   GLU   4           HB2      GLU   4  -1.398   3.942  11.350
   30   1HG   GLU   4           HG2      GLU   4  -1.194   5.345   9.292
   31   2HG   GLU   4           HG1      GLU   4  -2.940   5.472   9.196
   32    H    GLN   5           HN       GLN   5  -2.250   2.318   7.320
   33    HA   GLN   5           HA       GLN   5  -5.078   3.099   6.776
   34   1HB   GLN   5           HB1      GLN   5  -3.247   4.384   5.574
   35   2HB   GLN   5           HB2      GLN   5  -2.666   2.862   4.909
   36   1HG   GLN   5           HG2      GLN   5  -3.925   3.719   3.117
   37   2HG   GLN   5           HG1      GLN   5  -5.107   2.691   3.892
   38   1HE2  GLN   5          HE21      GLN   5  -5.593   6.723   3.982
   39   2HE2  GLN   5          HE22      GLN   5  -4.101   6.064   3.508
   40    H    CYS   6           HN       CYS   6  -2.563   0.833   6.053
   41    HA   CYS   6           HA       CYS   6  -4.483  -1.250   5.194
   42   1HB   CYS   6           HB1      CYS   6  -1.553  -0.962   4.593
   43   2HB   CYS   6           HB2      CYS   6  -2.607  -2.268   4.036
   44    H    CYS   7           HN       CYS   7  -2.293  -0.971   7.897
   45    HA   CYS   7           HA       CYS   7  -2.511  -3.965   8.139
   46   1HB   CYS   7           HB1      CYS   7  -0.234  -3.144   8.258
   47   2HB   CYS   7           HB2      CYS   7  -0.611  -2.047   9.544
   48    H    THR   8           HN       THR   8  -3.875  -1.180   8.864
   49    HA   THR   8           HA       THR   8  -4.552  -1.438  11.631
   50    HB   THR   8           HB       THR   8  -4.539   0.827  10.431
   51    HG1  THR   8           HG1      THR   8  -5.984   1.120  11.939
   52   1HG2  THR   8          HG22      THR   8  -5.499  -0.092   8.227
   53   2HG2  THR   8          HG21      THR   8  -7.041  -0.230   9.032
   54   3HG2  THR   8          HG23      THR   8  -6.297   1.354   8.836
   55    H    SER   9           HN       SER   9  -5.873  -2.185   8.572
   56    HA   SER   9           HA       SER   9  -7.546  -4.392   9.294
   57   1HB   SER   9           HB1      SER   9  -8.966  -2.368  10.096
   58   2HB   SER   9           HB2      SER   9  -8.993  -1.812   8.421
   59    HG   SER   9           HG1      SER   9  -9.581  -4.465   8.618
   60    H    ILE  10           HN       ILE  10  -9.240  -3.811   6.846
   61    HA   ILE  10           HA       ILE  10  -7.151  -4.406   4.847
   62    HB   ILE  10           HB       ILE  10 -10.099  -4.233   4.219
   63   1HG1  ILE  10          HG12      ILE  10 -10.123  -5.740   6.182
   64   2HG1  ILE  10          HG11      ILE  10 -10.407  -6.641   4.711
   65   1HG2  ILE  10          HG21      ILE  10  -7.884  -5.743   3.055
   66   2HG2  ILE  10          HG23      ILE  10  -9.580  -5.893   2.588
   67   3HG2  ILE  10          HG22      ILE  10  -8.764  -4.345   2.444
   68   1HD1  ILE  10           HD2      ILE  10  -8.026  -7.337   4.676
   69   2HD1  ILE  10           HD1      ILE  10  -7.750  -6.413   6.142
   70   3HD1  ILE  10           HD3      ILE  10  -8.822  -7.813   6.171
   71    H    CYS  11           HN       CYS  11  -6.908  -3.112   3.163
   72    HA   CYS  11           HA       CYS  11  -8.080  -0.331   3.198
   73   1HB   CYS  11           HB1      CYS  11  -5.787   0.569   3.001
   74   2HB   CYS  11           HB2      CYS  11  -5.763  -0.798   3.976
   75    H    SER  12           HN       SER  12  -7.316   0.697   0.846
   76    HA   SER  12           HA       SER  12  -8.387  -1.271  -1.154
   77   1HB   SER  12           HB1      SER  12  -9.453   0.657  -2.256
   78   2HB   SER  12           HB2      SER  12  -9.889   0.587  -0.554
   79    HG   SER  12           HG1      SER  12  -7.595   1.887  -0.662
   80    H    LEU  13           HN       LEU  13  -7.858  -0.566  -3.437
   81    HA   LEU  13           HA       LEU  13  -4.911  -0.190  -3.636
   82   1HB   LEU  13           HB1      LEU  13  -6.208  -2.166  -4.654
   83   2HB   LEU  13           HB2      LEU  13  -6.966  -1.003  -5.735
   84    HG   LEU  13           HG       LEU  13  -4.671  -0.297  -6.382
   85   1HD1  LEU  13          HD11      LEU  13  -3.861  -2.914  -5.056
   86   2HD1  LEU  13          HD13      LEU  13  -2.849  -2.024  -6.190
   87   3HD1  LEU  13          HD12      LEU  13  -3.281  -1.296  -4.655
   88   1HD2  LEU  13          HD22      LEU  13  -5.583  -3.150  -7.052
   89   2HD2  LEU  13          HD21      LEU  13  -6.071  -1.679  -7.879
   90   3HD2  LEU  13          HD23      LEU  13  -4.414  -2.250  -8.011
   91    OH   TYR  14           OH       TYR  14  -9.926   9.303  -3.607
   92    H    TYR  14           HN       TYR  14  -7.008   1.714  -3.161
   93    HA   TYR  14           HA       TYR  14  -6.664   3.852  -5.199
   94   1HB   TYR  14           HB1      TYR  14  -9.053   3.311  -4.767
   95   2HB   TYR  14           HB2      TYR  14  -8.792   3.335  -3.046
   96    HD1  TYR  14           HD2      TYR  14  -7.825   5.886  -5.682
   97    HD2  TYR  14           HD1      TYR  14 -10.001   5.022  -2.122
   98    HE1  TYR  14           HE2      TYR  14  -8.459   8.224  -5.497
   99    HE2  TYR  14           HE1      TYR  14 -10.632   7.379  -1.934
  100    HH   TYR  14           HH       TYR  14 -10.471   9.427  -2.827
  101    H    GLN  15           HN       GLN  15  -7.187   3.257  -1.801
  102    HA   GLN  15           HA       GLN  15  -5.943   5.636  -0.844
  103   1HB   GLN  15           HB1      GLN  15  -6.367   2.941   0.494
  104   2HB   GLN  15           HB2      GLN  15  -5.856   4.390   1.343
  105   1HG   GLN  15           HG2      GLN  15  -7.902   5.571   0.731
  106   2HG   GLN  15           HG1      GLN  15  -8.454   4.247  -0.297
  107   1HE2  GLN  15          HE21      GLN  15  -9.368   4.143   3.562
  108   2HE2  GLN  15          HE22      GLN  15  -8.867   5.533   2.718
  109    H    LEU  16           HN       LEU  16  -4.789   2.430  -1.466
  110    HA   LEU  16           HA       LEU  16  -2.037   3.171  -0.697
  111   1HB   LEU  16           HB1      LEU  16  -3.140   0.892  -0.103
  112   2HB   LEU  16           HB2      LEU  16  -3.079   0.501  -1.801
  113    HG   LEU  16           HG       LEU  16  -0.608   0.577  -1.796
  114   1HD1  LEU  16          HD11      LEU  16  -0.877   1.249   1.175
  115   2HD1  LEU  16          HD13      LEU  16   0.630   0.909   0.341
  116   3HD1  LEU  16          HD12      LEU  16  -0.284   2.352  -0.059
  117   1HD2  LEU  16          HD21      LEU  16  -1.703  -1.564  -1.151
  118   2HD2  LEU  16          HD23      LEU  16  -0.171  -1.347  -0.331
  119   3HD2  LEU  16          HD22      LEU  16  -1.684  -1.069   0.527
  120    H    GLU  17           HN       GLU  17  -3.541   4.276  -2.950
  121    HA   GLU  17           HA       GLU  17  -1.776   3.666  -5.289
  122   1HB   GLU  17           HB1      GLU  17  -4.387   3.583  -5.557
  123   2HB   GLU  17           HB2      GLU  17  -4.334   5.314  -5.325
  124   1HG   GLU  17           HG2      GLU  17  -3.064   3.878  -7.626
  125   2HG   GLU  17           HG1      GLU  17  -4.414   4.986  -7.565
  126    H    ASN  18           HN       ASN  18  -3.541   6.067  -3.500
  127    HA   ASN  18           HA       ASN  18  -1.906   8.310  -4.326
  128   1HB   ASN  18           HB1      ASN  18  -4.077   8.088  -2.184
  129   2HB   ASN  18           HB2      ASN  18  -3.451   9.597  -2.833
  130   1HD2  ASN  18          HD21      ASN  18  -6.541   7.979  -4.680
  131   2HD2  ASN  18          HD22      ASN  18  -6.118   7.705  -3.064
  132    OH   TYR  19           OH       TYR  19  -1.173   4.359   3.799
  133    H    TYR  19           HN       TYR  19  -0.205   6.666  -3.415
  134    HA   TYR  19           HA       TYR  19   0.589   7.553  -0.651
  135   1HB   TYR  19           HB1      TYR  19   0.775   4.896  -1.995
  136   2HB   TYR  19           HB2      TYR  19   2.283   5.355  -1.228
  137    HD1  TYR  19           HD1      TYR  19  -1.360   5.545  -0.565
  138    HD2  TYR  19           HD2      TYR  19   2.458   4.759   1.168
  139    HE1  TYR  19           HE1      TYR  19  -2.428   5.043   1.617
  140    HE2  TYR  19           HE2      TYR  19   1.387   4.290   3.288
  141    HH   TYR  19           HH       TYR  19  -2.113   4.538   3.727
  142    H    CYS  20           HN       CYS  20   2.467   6.413  -3.606
  143    HA   CYS  20           HA       CYS  20   4.293   8.673  -2.965
  144   1HB   CYS  20           HB1      CYS  20   5.294   6.844  -4.885
  145   2HB   CYS  20           HB2      CYS  20   5.799   7.143  -3.235
  146    H    ASN  21           HN       ASN  21   3.259   6.962  -5.848
  147    HA   ASN  21           HA       ASN  21   2.895   9.552  -7.305
  148   1HB   ASN  21           HB1      ASN  21   4.265   7.021  -8.284
  149   2HB   ASN  21           HB2      ASN  21   3.893   8.395  -9.325
  150   1HD2  ASN  21          HD21      ASN  21   6.680  10.247  -8.245
  151   2HD2  ASN  21          HD22      ASN  21   5.380  10.103  -9.336
  152   1H    PHE   1           HT1      PHE  22 -15.053  -5.077  -3.694
  153   2H    PHE   1           HT3      PHE  22 -14.851  -4.519  -5.286
  154   3H    PHE   1           HT2      PHE  22 -15.161  -6.161  -4.994
  155    HA   PHE   1           HA       PHE  22 -13.027  -6.603  -4.839
  156   1HB   PHE   1           HB1      PHE  22 -12.943  -4.539  -6.428
  157   2HB   PHE   1           HB2      PHE  22 -12.460  -3.617  -5.011
  158    HD1  PHE   1           HD1      PHE  22 -10.331  -4.464  -3.682
  159    HD2  PHE   1           HD2      PHE  22 -11.300  -5.750  -7.645
  160    HE1  PHE   1           HE1      PHE  22  -8.034  -5.223  -4.008
  161    HE2  PHE   1           HE2      PHE  22  -8.987  -6.486  -7.953
  162    HZ   PHE   1           HZ       PHE  22  -7.344  -6.221  -6.132
  163    H    VAL   2           HN       VAL  23 -11.770  -7.098  -3.143
  164    HA   VAL   2           HA       VAL  23 -11.655  -5.271  -0.792
  165    HB   VAL   2           HB       VAL  23 -12.055  -8.309  -0.659
  166   1HG1  VAL   2          HG11      VAL  23 -12.245  -6.202   1.537
  167   2HG1  VAL   2          HG13      VAL  23 -12.591  -7.905   1.745
  168   3HG1  VAL   2          HG12      VAL  23 -10.961  -7.393   1.377
  169   1HG2  VAL   2          HG22      VAL  23 -14.133  -6.108  -0.223
  170   2HG2  VAL   2          HG21      VAL  23 -14.118  -7.223  -1.576
  171   3HG2  VAL   2          HG23      VAL  23 -14.413  -7.814   0.050
  172    H    ASN   3           HN       ASN  24  -9.915  -5.965   0.622
  173    HA   ASN   3           HA       ASN  24  -7.523  -7.069  -0.816
  174   1HB   ASN   3           HB1      ASN  24  -7.636  -4.527   0.884
  175   2HB   ASN   3           HB2      ASN  24  -6.153  -5.241   0.305
  176   1HD2  ASN   3          HD21      ASN  24  -6.447  -3.875  -2.876
  177   2HD2  ASN   3          HD22      ASN  24  -5.475  -4.674  -1.742
  178    H    GLN   4           HN       GLN  25  -5.867  -6.587   1.318
  179    HA   GLN   4           HA       GLN  25  -6.564  -8.505   3.488
  180   1HB   GLN   4           HB1      GLN  25  -5.359  -9.527   1.450
  181   2HB   GLN   4           HB2      GLN  25  -3.971  -8.537   1.886
  182   1HG   GLN   4           HG2      GLN  25  -3.668  -9.778   3.962
  183   2HG   GLN   4           HG1      GLN  25  -5.221 -10.574   3.756
  184   1HE2  GLN   4          HE21      GLN  25  -3.922 -13.100   1.716
  185   2HE2  GLN   4          HE22      GLN  25  -5.182 -12.516   2.680
  186    H    HIS   5           HN       HIS  26  -4.249  -8.315   4.951
  187    HA   HIS   5           HA       HIS  26  -4.014  -5.374   5.452
  188   1HB   HIS   5           HB1      HIS  26  -2.964  -7.398   7.465
  189   2HB   HIS   5           HB2      HIS  26  -3.575  -5.755   7.698
  190    HD1  HIS   5           HD1      HIS  26  -5.919  -5.581   8.427
  191    HD2  HIS   5           HD2      HIS  26  -5.150  -9.341   7.046
  192    HE1  HIS   5           HE1      HIS  26  -7.905  -6.943   8.952
  193    H    LEU   6           HN       LEU  27  -1.943  -4.643   6.179
  194    HA   LEU   6           HA       LEU  27   0.505  -6.021   5.056
  195   1HB   LEU   6           HB1      LEU  27  -0.193  -3.019   4.950
  196   2HB   LEU   6           HB2      LEU  27   1.257  -3.776   4.318
  197    HG   LEU   6           HG       LEU  27  -1.554  -4.544   3.294
  198   1HD1  LEU   6          HD12      LEU  27  -1.016  -2.153   2.653
  199   2HD1  LEU   6          HD11      LEU  27   0.466  -2.687   1.929
  200   3HD1  LEU   6          HD13      LEU  27  -1.067  -3.228   1.277
  201   1HD2  LEU   6          HD21      LEU  27   0.285  -6.215   2.930
  202   2HD2  LEU   6          HD23      LEU  27  -0.302  -5.539   1.433
  203   3HD2  LEU   6          HD22      LEU  27   1.199  -4.958   2.118
  204    H    CYS   7           HN       CYS  28   1.750  -3.680   6.153
  205    HA   CYS   7           HA       CYS  28   1.969  -2.766   8.562
  206   1HB   CYS   7           HB1      CYS  28   1.846  -5.703   9.149
  207   2HB   CYS   7           HB2      CYS  28   3.242  -4.945   9.791
  208    H    GLY   8           HN       GLY  29   4.077  -5.519   7.716
  209   1HA   GLY   8           HA1      GLY  29   6.218  -3.592   7.013
  210   2HA   GLY   8           HA2      GLY  29   6.552  -4.717   8.340
  211    H    SER   9           HN       SER  30   7.215  -4.090   5.396
  212    HA   SER   9           HA       SER  30   8.346  -5.212   3.746
  213   1HB   SER   9           HB1      SER  30   8.846  -7.197   5.457
  214   2HB   SER   9           HB2      SER  30   7.319  -7.902   4.900
  215    HG   SER   9           HG1      SER  30   8.356  -8.559   3.244
  216    H    HIS  10           HN       HIS  31   5.369  -6.626   4.792
  217    HA   HIS  10           HA       HIS  31   4.320  -7.273   2.219
  218   1HB   HIS  10           HB1      HIS  31   2.706  -6.439   4.649
  219   2HB   HIS  10           HB2      HIS  31   2.163  -7.095   3.085
  220    HD1  HIS  10           HD1      HIS  31   3.863  -9.477   2.719
  221    HD2  HIS  10           HD2      HIS  31   2.658  -8.436   6.483
  222    HE1  HIS  10           HE1      HIS  31   4.063 -11.510   4.102
  223    H    LEU  11           HN       LEU  32   4.179  -4.434   4.279
  224    HA   LEU  11           HA       LEU  32   2.410  -2.847   2.761
  225   1HB   LEU  11           HB1      LEU  32   4.600  -2.332   4.612
  226   2HB   LEU  11           HB2      LEU  32   4.453  -1.009   3.452
  227    HG   LEU  11           HG       LEU  32   2.385  -2.092   5.298
  228   1HD1  LEU  11          HD12      LEU  32   4.193  -0.670   6.331
  229   2HD1  LEU  11          HD11      LEU  32   3.913   0.573   5.137
  230   3HD1  LEU  11          HD13      LEU  32   2.680   0.226   6.332
  231   1HD2  LEU  11          HD22      LEU  32   2.290   0.246   3.272
  232   2HD2  LEU  11          HD21      LEU  32   1.368  -1.220   3.074
  233   3HD2  LEU  11          HD23      LEU  32   0.993  -0.128   4.379
  234    H    VAL  12           HN       VAL  33   5.743  -3.178   2.698
  235    HA   VAL  12           HA       VAL  33   6.357  -1.705   0.268
  236    HB   VAL  12           HB       VAL  33   8.098  -3.767   1.726
  237   1HG1  VAL  12          HG11      VAL  33   8.946  -1.354   0.135
  238   2HG1  VAL  12          HG13      VAL  33  10.018  -2.372   1.071
  239   3HG1  VAL  12          HG12      VAL  33   9.186  -3.029  -0.317
  240   1HG2  VAL  12          HG22      VAL  33   7.729  -0.883   2.567
  241   2HG2  VAL  12          HG21      VAL  33   7.266  -2.308   3.478
  242   3HG2  VAL  12          HG23      VAL  33   8.963  -1.961   3.186
  243    H    GLU  13           HN       GLU  34   4.610  -4.449   0.473
  244    HA   GLU  13           HA       GLU  34   5.871  -5.767  -1.836
  245   1HB   GLU  13           HB1      GLU  34   5.514  -6.955   0.528
  246   2HB   GLU  13           HB2      GLU  34   3.827  -6.953   0.089
  247   1HG   GLU  13           HG2      GLU  34   4.165  -8.391  -1.794
  248   2HG   GLU  13           HG1      GLU  34   5.925  -8.243  -1.636
  249    H    ALA  14           HN       ALA  35   3.197  -4.224  -0.341
  250    HA   ALA  14           HA       ALA  35   1.554  -4.543  -2.764
  251   1HB   ALA  14           HB2      ALA  35   0.498  -5.144  -0.516
  252   2HB   ALA  14           HB1      ALA  35   0.868  -3.510   0.060
  253   3HB   ALA  14           HB3      ALA  35  -0.334  -3.750  -1.196
  254    H    LEU  15           HN       LEU  36   3.560  -2.499  -1.132
  255    HA   LEU  15           HA       LEU  36   2.546  -0.046  -2.416
  256   1HB   LEU  15           HB1      LEU  36   3.101   0.061   0.007
  257   2HB   LEU  15           HB2      LEU  36   4.694  -0.603  -0.331
  258    HG   LEU  15           HG       LEU  36   5.491   1.292  -1.295
  259   1HD1  LEU  15          HD11      LEU  36   2.644   2.457  -1.010
  260   2HD1  LEU  15          HD13      LEU  36   4.016   3.379  -1.594
  261   3HD1  LEU  15          HD12      LEU  36   3.374   2.068  -2.563
  262   1HD2  LEU  15          HD22      LEU  36   3.776   2.022   1.107
  263   2HD2  LEU  15          HD21      LEU  36   5.393   1.339   1.168
  264   3HD2  LEU  15          HD23      LEU  36   5.155   2.970   0.559
  265    OH   TYR  16           OH       TYR  37  10.086  -4.290  -8.598
  266    H    TYR  16           HN       TYR  37   5.034  -2.464  -2.526
  267    HA   TYR  16           HA       TYR  37   6.710  -0.932  -4.357
  268   1HB   TYR  16           HB1      TYR  37   7.899  -2.621  -3.093
  269   2HB   TYR  16           HB2      TYR  37   6.734  -3.886  -3.487
  270    HD1  TYR  16           HD1      TYR  37   9.584  -1.919  -4.781
  271    HD2  TYR  16           HD2      TYR  37   6.638  -4.861  -5.716
  272    HE1  TYR  16           HE1      TYR  37  10.790  -2.482  -6.845
  273    HE2  TYR  16           HE2      TYR  37   7.853  -5.421  -7.763
  274    HH   TYR  16           HH       TYR  37  10.612  -5.077  -8.436
  275    H    LEU  17           HN       LEU  38   4.217  -3.296  -4.456
  276    HA   LEU  17           HA       LEU  38   4.277  -3.938  -7.242
  277   1HB   LEU  17           HB1      LEU  38   3.148  -5.039  -5.138
  278   2HB   LEU  17           HB2      LEU  38   1.769  -4.013  -5.538
  279    HG   LEU  17           HG       LEU  38   3.189  -6.161  -7.228
  280   1HD1  LEU  17          HD11      LEU  38   0.417  -6.081  -6.013
  281   2HD1  LEU  17          HD13      LEU  38   1.031  -7.377  -7.018
  282   3HD1  LEU  17          HD12      LEU  38   1.756  -7.079  -5.457
  283   1HD2  LEU  17          HD22      LEU  38   0.811  -4.469  -8.048
  284   2HD2  LEU  17          HD21      LEU  38   2.403  -4.498  -8.797
  285   3HD2  LEU  17          HD23      LEU  38   1.383  -5.907  -8.897
  286    H    VAL  18           HN       VAL  39   3.237  -1.154  -5.490
  287    HA   VAL  18           HA       VAL  39   1.593  -0.264  -7.775
  288    HB   VAL  18           HB       VAL  39   0.885  -0.383  -5.243
  289   1HG1  VAL  18          HG12      VAL  39   2.536   1.091  -4.300
  290   2HG1  VAL  18          HG11      VAL  39   1.966   2.412  -5.304
  291   3HG1  VAL  18          HG13      VAL  39   0.937   1.735  -4.055
  292   1HG2  VAL  18          HG21      VAL  39  -0.613   0.315  -7.115
  293   2HG2  VAL  18          HG23      VAL  39  -0.865   1.374  -5.739
  294   3HG2  VAL  18          HG22      VAL  39   0.107   1.926  -7.085
  295    H    CYS  19           HN       CYS  40   4.091   0.940  -5.686
  296    HA   CYS  19           HA       CYS  40   4.799   3.142  -7.627
  297   1HB   CYS  19           HB1      CYS  40   5.358   3.177  -4.626
  298   2HB   CYS  19           HB2      CYS  40   5.670   4.423  -5.810
  299    H    GLY  20           HN       GLY  41   5.478   0.848  -8.237
  300   1HA   GLY  20           HA1      GLY  41   8.073   0.029  -7.147
  301   2HA   GLY  20           HA2      GLY  41   7.106  -0.793  -8.355
  302    H    GLU  21           HN       GLU  42   9.405   1.556  -7.736
  303    HA   GLU  21           HA       GLU  42  11.369   1.944  -9.084
  304   1HB   GLU  21           HB1      GLU  42   9.364   2.041 -11.447
  305   2HB   GLU  21           HB2      GLU  42  11.003   2.628 -11.544
  306   1HG   GLU  21           HG2      GLU  42  10.251  -0.289 -10.978
  307   2HG   GLU  21           HG1      GLU  42  10.988   0.336 -12.431
  308    NH1  ARG  22           NH2      ARG  43   7.967   4.740 -13.273
  309    NH2  ARG  22           NH1      ARG  43   6.174   4.140 -14.542
  310    H    ARG  22           HN       ARG  43   8.231   3.329  -9.204
  311    HA   ARG  22           HA       ARG  43   8.983   6.053  -9.722
  312   1HB   ARG  22           HB1      ARG  43   6.627   4.762  -8.264
  313   2HB   ARG  22           HB2      ARG  43   6.804   6.503  -8.266
  314   1HG   ARG  22           HG2      ARG  43   5.392   6.045 -10.120
  315   2HG   ARG  22           HG1      ARG  43   6.952   6.407 -10.809
  316   1HD   ARG  22           HD2      ARG  43   7.400   3.887 -11.020
  317   2HD   ARG  22           HD1      ARG  43   5.743   3.620 -10.487
  318    HE   ARG  22           HE       ARG  43   4.967   4.822 -12.486
  319   1HH1  ARG  22          HH22      ARG  43   8.344   4.998 -12.384
  320   2HH1  ARG  22          HH21      ARG  43   8.567   4.684 -14.072
  321   1HH2  ARG  22          HH12      ARG  43   5.193   3.951 -14.613
  322   2HH2  ARG  22          HH11      ARG  43   6.750   4.072 -15.355
  323    H    GLY  23           HN       GLY  44   8.620   4.149  -6.892
  324   1HA   GLY  23           HA1      GLY  44  10.115   4.125  -5.025
  325   2HA   GLY  23           HA2      GLY  44  10.455   5.827  -5.243
  326    H    PHE  24           HN       PHE  45   9.687   4.474  -2.958
  327    HA   PHE  24           HA       PHE  45   7.384   6.111  -2.135
  328   1HB   PHE  24           HB1      PHE  45   6.347   4.038  -0.978
  329   2HB   PHE  24           HB2      PHE  45   6.270   4.049  -2.727
  330    HD1  PHE  24           HD2      PHE  45   8.353   2.799   0.077
  331    HD2  PHE  24           HD1      PHE  45   7.097   2.221  -3.969
  332    HE1  PHE  24           HE2      PHE  45   9.522   0.654   0.023
  333    HE2  PHE  24           HE1      PHE  45   8.285   0.054  -3.988
  334    HZ   PHE  24           HZ       PHE  45   9.482  -0.723  -2.006
  335    H    PHE  25           HN       PHE  46   6.991   5.575   0.259
  336    HA   PHE  25           HA       PHE  46   9.553   5.506   1.797
  337   1HB   PHE  25           HB1      PHE  46   8.441   7.411   3.176
  338   2HB   PHE  25           HB2      PHE  46   9.049   7.833   1.581
  339    HD1  PHE  25           HD1      PHE  46   5.921   6.798   3.370
  340    HD2  PHE  25           HD2      PHE  46   7.590   8.746  -0.037
  341    HE1  PHE  25           HE1      PHE  46   3.690   7.543   2.703
  342    HE2  PHE  25           HE2      PHE  46   5.355   9.494  -0.700
  343    HZ   PHE  25           HZ       PHE  46   3.399   8.890   0.678
   
 Raw file had 343 H/Q atoms
  Start of MODEL   13
    1   1H    GLY   1           HT1      GLY   1  -5.125  -4.866   8.019
    2   2H    GLY   1           HT3      GLY   1  -4.337  -6.367   7.901
    3   3H    GLY   1           HT2      GLY   1  -5.257  -6.005   9.281
    4   1HA   GLY   1           HA1      GLY   1  -3.494  -5.220  10.277
    5   2HA   GLY   1           HA2      GLY   1  -2.549  -5.571   8.847
    6    H    ILE   2           HN       ILE   2  -2.477  -3.850   7.117
    7    HA   ILE   2           HA       ILE   2  -2.528  -1.114   8.353
    8    HB   ILE   2           HB       ILE   2  -0.986  -1.825   5.819
    9   1HG1  ILE   2          HG12      ILE   2   0.887  -2.021   7.934
   10   2HG1  ILE   2          HG11      ILE   2  -0.425  -3.052   8.433
   11   1HG2  ILE   2          HG22      ILE   2  -1.151   0.558   6.706
   12   2HG2  ILE   2          HG21      ILE   2  -0.476   0.011   8.231
   13   3HG2  ILE   2          HG23      ILE   2   0.501  -0.015   6.768
   14   1HD1  ILE   2           HD2      ILE   2  -0.316  -4.209   6.179
   15   2HD1  ILE   2           HD1      ILE   2   1.035  -3.164   5.771
   16   3HD1  ILE   2           HD3      ILE   2   1.191  -4.331   7.069
   17    H    VAL   3           HN       VAL   3  -4.755  -1.236   7.985
   18    HA   VAL   3           HA       VAL   3  -5.570  -0.610   5.198
   19    HB   VAL   3           HB       VAL   3  -6.698  -2.503   6.397
   20   1HG1  VAL   3          HG12      VAL   3  -6.665  -1.594   8.726
   21   2HG1  VAL   3          HG11      VAL   3  -7.813  -0.349   8.251
   22   3HG1  VAL   3          HG13      VAL   3  -8.308  -2.025   8.232
   23   1HG2  VAL   3          HG21      VAL   3  -7.918  -1.327   4.598
   24   2HG2  VAL   3          HG23      VAL   3  -9.031  -1.844   5.858
   25   3HG2  VAL   3          HG22      VAL   3  -8.545  -0.168   5.751
   26    H    GLU   4           HN       GLU   4  -5.576   0.762   8.481
   27    HA   GLU   4           HA       GLU   4  -7.081   3.064   7.434
   28   1HB   GLU   4           HB1      GLU   4  -7.118   3.814   9.797
   29   2HB   GLU   4           HB2      GLU   4  -7.483   2.095   9.753
   30   1HG   GLU   4           HG2      GLU   4  -4.763   1.950   9.967
   31   2HG   GLU   4           HG1      GLU   4  -5.013   3.534  10.671
   32    H    GLN   5           HN       GLN   5  -4.350   2.447   6.564
   33    HA   GLN   5           HA       GLN   5  -2.994   5.008   7.273
   34   1HB   GLN   5           HB1      GLN   5  -1.750   2.854   7.646
   35   2HB   GLN   5           HB2      GLN   5  -2.002   2.433   5.956
   36   1HG   GLN   5           HG2      GLN   5   0.284   3.441   6.573
   37   2HG   GLN   5           HG1      GLN   5  -0.520   4.077   5.149
   38   1HE2  GLN   5          HE21      GLN   5  -0.749   7.321   6.409
   39   2HE2  GLN   5          HE22      GLN   5  -0.949   6.240   5.112
   40    H    CYS   6           HN       CYS   6  -3.740   2.844   4.648
   41    HA   CYS   6           HA       CYS   6  -3.874   5.077   2.687
   42   1HB   CYS   6           HB1      CYS   6  -3.631   2.151   2.115
   43   2HB   CYS   6           HB2      CYS   6  -3.418   3.519   1.004
   44    H    CYS   7           HN       CYS   7  -6.307   3.335   4.369
   45    HA   CYS   7           HA       CYS   7  -8.052   3.607   1.955
   46   1HB   CYS   7           HB1      CYS   7  -8.026   1.339   2.370
   47   2HB   CYS   7           HB2      CYS   7  -8.115   1.433   4.089
   48    H    THR   8           HN       THR   8  -7.194   4.605   4.973
   49    HA   THR   8           HA       THR   8  -9.802   5.738   5.664
   50    HB   THR   8           HB       THR   8  -7.140   5.542   7.234
   51    HG1  THR   8           HG1      THR   8  -9.407   4.099   6.893
   52   1HG2  THR   8          HG21      THR   8  -9.879   6.567   8.153
   53   2HG2  THR   8          HG23      THR   8  -8.442   6.429   9.156
   54   3HG2  THR   8          HG22      THR   8  -8.503   7.633   7.882
   55    H    SER   9           HN       SER   9  -6.652   6.289   4.516
   56    HA   SER   9           HA       SER   9  -7.201   9.122   3.761
   57   1HB   SER   9           HB1      SER   9  -4.547   8.078   4.917
   58   2HB   SER   9           HB2      SER   9  -4.901   9.728   4.371
   59    HG   SER   9           HG1      SER   9  -5.844   8.333   6.564
   60    H    ILE  10           HN       ILE  10  -4.688   9.380   2.486
   61    HA   ILE  10           HA       ILE  10  -5.132   7.657   0.101
   62    HB   ILE  10           HB       ILE  10  -3.168   9.966   0.215
   63   1HG1  ILE  10          HG12      ILE  10  -5.251  10.874   1.153
   64   2HG1  ILE  10          HG11      ILE  10  -4.883  11.574  -0.398
   65   1HG2  ILE  10          HG21      ILE  10  -4.895   8.828  -2.029
   66   2HG2  ILE  10          HG23      ILE  10  -3.761  10.159  -2.163
   67   3HG2  ILE  10          HG22      ILE  10  -3.179   8.554  -1.792
   68   1HD1  ILE  10           HD1      ILE  10  -6.936   9.346   0.083
   69   2HD1  ILE  10           HD3      ILE  10  -7.292  11.038  -0.203
   70   3HD1  ILE  10           HD2      ILE  10  -6.571  10.071  -1.476
   71    H    CYS  11           HN       CYS  11  -2.607   8.982   2.029
   72    HA   CYS  11           HA       CYS  11  -0.612   8.144   2.954
   73   1HB   CYS  11           HB1      CYS  11  -0.595   5.727   3.396
   74   2HB   CYS  11           HB2      CYS  11  -2.150   5.936   2.769
   75    H    SER  12           HN       SER  12   1.516   6.976   1.878
   76    HA   SER  12           HA       SER  12   1.700   8.086  -0.911
   77   1HB   SER  12           HB1      SER  12   4.086   8.531  -0.440
   78   2HB   SER  12           HB2      SER  12   3.114   9.289   0.807
   79    HG   SER  12           HG1      SER  12   3.537   6.755   1.523
   80    H    LEU  13           HN       LEU  13   3.931   6.979  -1.830
   81    HA   LEU  13           HA       LEU  13   3.269   4.065  -1.892
   82   1HB   LEU  13           HB1      LEU  13   4.239   3.967  -3.950
   83   2HB   LEU  13           HB2      LEU  13   3.413   5.502  -4.041
   84    HG   LEU  13           HG       LEU  13   6.416   5.017  -3.648
   85   1HD1  LEU  13          HD12      LEU  13   5.603   4.797  -5.928
   86   2HD1  LEU  13          HD11      LEU  13   4.884   6.405  -5.852
   87   3HD1  LEU  13          HD13      LEU  13   6.635   6.215  -5.765
   88   1HD2  LEU  13          HD22      LEU  13   4.978   7.713  -3.616
   89   2HD2  LEU  13          HD21      LEU  13   5.763   6.970  -2.239
   90   3HD2  LEU  13          HD23      LEU  13   6.722   7.471  -3.609
   91    OH   TYR  14           OH       TYR  14  12.622   5.231   3.065
   92    H    TYR  14           HN       TYR  14   4.971   5.832  -0.047
   93    HA   TYR  14           HA       TYR  14   7.506   4.248   0.018
   94   1HB   TYR  14           HB1      TYR  14   7.582   6.839  -0.055
   95   2HB   TYR  14           HB2      TYR  14   6.872   6.831   1.535
   96    HD1  TYR  14           HD2      TYR  14   9.785   5.803  -0.431
   97    HD2  TYR  14           HD1      TYR  14   8.206   6.103   3.504
   98    HE1  TYR  14           HE2      TYR  14  12.026   5.358   0.499
   99    HE2  TYR  14           HE1      TYR  14  10.433   5.653   4.431
  100    HH   TYR  14           HH       TYR  14  12.602   5.509   3.984
  101    H    GLN  15           HN       GLN  15   4.964   5.717   1.882
  102    HA   GLN  15           HA       GLN  15   5.371   4.311   4.327
  103   1HB   GLN  15           HB1      GLN  15   2.942   5.637   3.044
  104   2HB   GLN  15           HB2      GLN  15   2.889   5.025   4.692
  105   1HG   GLN  15           HG2      GLN  15   4.866   6.446   5.265
  106   2HG   GLN  15           HG1      GLN  15   4.948   7.038   3.608
  107   1HE2  GLN  15          HE21      GLN  15   2.724   9.646   4.315
  108   2HE2  GLN  15          HE22      GLN  15   3.932   8.993   3.304
  109    H    LEU  16           HN       LEU  16   3.935   3.513   1.345
  110    HA   LEU  16           HA       LEU  16   2.556   1.114   2.263
  111   1HB   LEU  16           HB1      LEU  16   2.275   2.841   0.083
  112   2HB   LEU  16           HB2      LEU  16   2.990   1.440  -0.668
  113    HG   LEU  16           HG       LEU  16   0.471   1.412   1.060
  114   1HD1  LEU  16          HD11      LEU  16   0.804   1.242  -1.959
  115   2HD1  LEU  16          HD13      LEU  16  -0.710   0.975  -1.124
  116   3HD1  LEU  16          HD12      LEU  16   0.054   2.556  -1.065
  117   1HD2  LEU  16          HD22      LEU  16   1.698  -0.789  -0.639
  118   2HD2  LEU  16          HD21      LEU  16   1.602  -0.789   1.123
  119   3HD2  LEU  16          HD23      LEU  16   0.142  -0.884   0.164
  120    H    GLU  17           HN       GLU  17   5.649   2.001   0.999
  121    HA   GLU  17           HA       GLU  17   6.567  -0.587   0.131
  122   1HB   GLU  17           HB1      GLU  17   8.235   1.659   1.395
  123   2HB   GLU  17           HB2      GLU  17   8.921   0.193   0.744
  124   1HG   GLU  17           HG2      GLU  17   7.853   0.727  -1.481
  125   2HG   GLU  17           HG1      GLU  17   7.314   2.232  -0.744
  126    H    ASN  18           HN       ASN  18   6.771   1.105   3.175
  127    HA   ASN  18           HA       ASN  18   8.103  -0.590   4.861
  128   1HB   ASN  18           HB1      ASN  18   7.251   1.589   5.543
  129   2HB   ASN  18           HB2      ASN  18   5.591   1.031   5.469
  130   1HD2  ASN  18          HD21      ASN  18   5.719   0.210   8.884
  131   2HD2  ASN  18          HD22      ASN  18   4.828   0.849   7.587
  132    OH   TYR  19           OH       TYR  19  -0.777   0.751   4.309
  133    H    TYR  19           HN       TYR  19   5.086  -1.366   3.424
  134    HA   TYR  19           HA       TYR  19   4.024  -3.229   5.292
  135   1HB   TYR  19           HB1      TYR  19   3.662  -2.966   2.247
  136   2HB   TYR  19           HB2      TYR  19   2.781  -4.104   3.259
  137    HD1  TYR  19           HD1      TYR  19   3.577  -0.467   4.113
  138    HD2  TYR  19           HD2      TYR  19   0.571  -3.329   3.087
  139    HE1  TYR  19           HE1      TYR  19   1.832   1.152   4.556
  140    HE2  TYR  19           HE2      TYR  19  -1.130  -1.726   3.548
  141    HH   TYR  19           HH       TYR  19  -1.597   0.258   4.405
  142    H    CYS  20           HN       CYS  20   6.548  -3.522   2.888
  143    HA   CYS  20           HA       CYS  20   6.955  -6.389   3.593
  144   1HB   CYS  20           HB1      CYS  20   8.046  -6.643   1.467
  145   2HB   CYS  20           HB2      CYS  20   6.465  -5.991   1.149
  146    H    ASN  21           HN       ASN  21   9.424  -6.764   3.207
  147    HA   ASN  21           HA       ASN  21  10.944  -4.503   4.501
  148   1HB   ASN  21           HB1      ASN  21  11.381  -7.507   4.788
  149   2HB   ASN  21           HB2      ASN  21  12.366  -6.263   5.549
  150   1HD2  ASN  21          HD21      ASN  21  10.268  -6.311   8.364
  151   2HD2  ASN  21          HD22      ASN  21  11.843  -6.239   7.736
  152   1H    PHE   1           HT1      PHE  22   1.598   6.830  -6.997
  153   2H    PHE   1           HT3      PHE  22   2.475   6.832  -5.531
  154   3H    PHE   1           HT2      PHE  22   1.967   5.368  -6.222
  155    HA   PHE   1           HA       PHE  22   0.103   5.430  -5.120
  156   1HB   PHE   1           HB1      PHE  22  -0.191   7.032  -3.306
  157   2HB   PHE   1           HB2      PHE  22   1.522   6.767  -3.438
  158    HD1  PHE   1           HD2      PHE  22   2.761   8.562  -5.175
  159    HD2  PHE   1           HD1      PHE  22  -0.920   9.239  -3.108
  160    HE1  PHE   1           HE2      PHE  22   3.036  10.976  -5.439
  161    HE2  PHE   1           HE1      PHE  22  -0.621  11.631  -3.372
  162    HZ   PHE   1           HZ       PHE  22   1.348  12.514  -4.542
  163    H    VAL   2           HN       VAL  23  -2.024   6.761  -4.751
  164    HA   VAL   2           HA       VAL  23  -2.672   8.377  -7.189
  165    HB   VAL   2           HB       VAL  23  -4.937   7.340  -7.145
  166   1HG1  VAL   2          HG12      VAL  23  -3.172   6.269  -8.495
  167   2HG1  VAL   2          HG11      VAL  23  -2.730   5.267  -7.116
  168   3HG1  VAL   2          HG13      VAL  23  -4.313   5.088  -7.869
  169   1HG2  VAL   2          HG21      VAL  23  -5.066   6.816  -4.699
  170   2HG2  VAL   2          HG23      VAL  23  -5.412   5.412  -5.692
  171   3HG2  VAL   2          HG22      VAL  23  -3.836   5.578  -4.906
  172    H    ASN   3           HN       ASN  24  -5.124   9.199  -6.547
  173    HA   ASN   3           HA       ASN  24  -4.778  10.688  -3.958
  174   1HB   ASN   3           HB1      ASN  24  -4.618  12.029  -6.188
  175   2HB   ASN   3           HB2      ASN  24  -6.330  11.691  -6.393
  176   1HD2  ASN   3          HD22      ASN  24  -5.319  14.788  -4.137
  177   2HD2  ASN   3          HD21      ASN  24  -4.298  14.066  -5.289
  178    H    GLN   4           HN       GLN  25  -5.821   8.243  -3.868
  179    HA   GLN   4           HA       GLN  25  -8.525   8.774  -2.965
  180   1HB   GLN   4           HB1      GLN  25  -8.773   8.085  -5.447
  181   2HB   GLN   4           HB2      GLN  25  -7.934   6.583  -5.062
  182   1HG   GLN   4           HG2      GLN  25 -10.384   6.329  -5.239
  183   2HG   GLN   4           HG1      GLN  25  -9.819   5.837  -3.674
  184   1HE2  GLN   4          HE21      GLN  25 -11.499   9.552  -3.426
  185   2HE2  GLN   4          HE22      GLN  25 -10.048   9.336  -4.278
  186    H    HIS   5           HN       HIS  26  -9.407   6.587  -2.107
  187    HA   HIS   5           HA       HIS  26  -7.262   5.525  -0.349
  188   1HB   HIS   5           HB1      HIS  26 -10.269   5.300   0.043
  189   2HB   HIS   5           HB2      HIS  26  -9.010   5.124   1.252
  190    HD1  HIS   5           HD1      HIS  26  -8.549   7.265   2.533
  191    HD2  HIS   5           HD2      HIS  26 -10.350   8.096  -1.040
  192    HE1  HIS   5           HE1      HIS  26  -8.980   9.691   2.512
  193    H    LEU   6           HN       LEU  27  -7.355   3.370   0.270
  194    HA   LEU   6           HA       LEU  27  -8.061   1.391  -1.864
  195   1HB   LEU   6           HB1      LEU  27  -5.981   1.365   0.376
  196   2HB   LEU   6           HB2      LEU  27  -6.203   0.067  -0.796
  197    HG   LEU   6           HG       LEU  27  -5.527   2.867  -1.756
  198   1HD1  LEU   6          HD12      LEU  27  -3.752   2.009  -0.146
  199   2HD1  LEU   6          HD11      LEU  27  -3.619   0.564  -1.114
  200   3HD1  LEU   6          HD13      LEU  27  -3.153   2.107  -1.778
  201   1HD2  LEU   6          HD21      LEU  27  -6.361   1.126  -3.388
  202   2HD2  LEU   6          HD23      LEU  27  -4.700   1.579  -3.693
  203   3HD2  LEU   6          HD22      LEU  27  -5.058   0.067  -2.874
  204    H    CYS   7           HN       CYS  28  -7.467  -0.476   0.133
  205    HA   CYS   7           HA       CYS  28  -8.343  -1.457   2.218
  206   1HB   CYS   7           HB1      CYS  28 -10.937  -0.418   1.028
  207   2HB   CYS   7           HB2      CYS  28 -10.985  -1.950   1.830
  208    H    GLY   8           HN       GLY  29  -9.193  -3.608   2.243
  209   1HA   GLY   8           HA1      GLY  29  -8.262  -5.633   1.126
  210   2HA   GLY   8           HA2      GLY  29 -10.021  -5.617   1.084
  211    H    SER   9           HN       SER  30  -7.430  -6.289  -0.575
  212    HA   SER   9           HA       SER  30  -7.071  -7.045  -2.702
  213   1HB   SER   9           HB1      SER  30  -9.587  -7.538  -3.004
  214   2HB   SER   9           HB2      SER  30  -9.843  -5.844  -3.469
  215    HG   SER   9           HG1      SER  30  -7.861  -6.640  -4.933
  216    H    HIS  10           HN       HIS  31  -8.513  -3.903  -2.612
  217    HA   HIS  10           HA       HIS  31  -6.941  -3.017  -4.901
  218   1HB   HIS  10           HB1      HIS  31  -8.219  -1.306  -2.753
  219   2HB   HIS  10           HB2      HIS  31  -7.478  -0.874  -4.317
  220    HD1  HIS  10           HD1      HIS  31 -10.244  -3.175  -3.093
  221    HD2  HIS  10           HD2      HIS  31  -9.396  -0.868  -6.355
  222    HE1  HIS  10           HE1      HIS  31 -12.186  -3.355  -4.580
  223    H    LEU  11           HN       LEU  32  -6.776  -2.941  -1.446
  224    HA   LEU  11           HA       LEU  32  -4.521  -1.307  -1.035
  225   1HB   LEU  11           HB1      LEU  32  -5.843  -3.521   0.391
  226   2HB   LEU  11           HB2      LEU  32  -4.141  -3.376   0.844
  227    HG   LEU  11           HG       LEU  32  -6.220  -1.262   0.996
  228   1HD1  LEU  11          HD12      LEU  32  -6.489  -3.142   2.619
  229   2HD1  LEU  11          HD11      LEU  32  -4.814  -2.955   3.124
  230   3HD1  LEU  11          HD13      LEU  32  -5.989  -1.701   3.483
  231   1HD2  LEU  11          HD21      LEU  32  -3.837  -0.365   0.647
  232   2HD2  LEU  11          HD23      LEU  32  -4.404  -0.015   2.258
  233   3HD2  LEU  11          HD22      LEU  32  -3.298  -1.349   1.973
  234    H    VAL  12           HN       VAL  33  -4.864  -4.654  -1.414
  235    HA   VAL  12           HA       VAL  33  -2.133  -5.403  -1.571
  236    HB   VAL  12           HB       VAL  33  -4.649  -6.821  -2.495
  237   1HG1  VAL  12          HG11      VAL  33  -1.906  -7.986  -1.818
  238   2HG1  VAL  12          HG13      VAL  33  -3.348  -8.912  -2.150
  239   3HG1  VAL  12          HG12      VAL  33  -2.629  -7.972  -3.424
  240   1HG2  VAL  12          HG21      VAL  33  -4.684  -6.176  -0.087
  241   2HG2  VAL  12          HG23      VAL  33  -4.538  -7.915  -0.286
  242   3HG2  VAL  12          HG22      VAL  33  -3.134  -6.965   0.145
  243    H    GLU  13           HN       GLU  34  -3.988  -3.637  -3.848
  244    HA   GLU  13           HA       GLU  34  -2.564  -4.791  -6.180
  245   1HB   GLU  13           HB1      GLU  34  -5.050  -4.610  -6.372
  246   2HB   GLU  13           HB2      GLU  34  -4.995  -2.926  -5.901
  247   1HG   GLU  13           HG2      GLU  34  -3.584  -3.967  -8.410
  248   2HG   GLU  13           HG1      GLU  34  -5.232  -3.384  -8.427
  249    H    ALA  14           HN       ALA  35  -2.710  -2.417  -3.731
  250    HA   ALA  14           HA       ALA  35  -1.034  -0.620  -5.307
  251   1HB   ALA  14           HB1      ALA  35  -2.483  -0.231  -2.626
  252   2HB   ALA  14           HB3      ALA  35  -1.570   1.044  -3.437
  253   3HB   ALA  14           HB2      ALA  35  -3.038   0.433  -4.163
  254    H    LEU  15           HN       LEU  36  -1.150  -3.055  -3.159
  255    HA   LEU  15           HA       LEU  36   1.327  -2.491  -1.693
  256   1HB   LEU  15           HB1      LEU  36  -0.985  -3.980  -1.244
  257   2HB   LEU  15           HB2      LEU  36   0.062  -5.227  -1.784
  258    HG   LEU  15           HG       LEU  36   0.002  -3.367   0.377
  259   1HD1  LEU  15          HD11      LEU  36   0.187  -6.342   0.481
  260   2HD1  LEU  15          HD13      LEU  36   0.303  -5.377   1.941
  261   3HD1  LEU  15          HD12      LEU  36  -1.154  -5.326   0.952
  262   1HD2  LEU  15          HD22      LEU  36   2.527  -4.969  -0.276
  263   2HD2  LEU  15          HD21      LEU  36   2.433  -3.231  -0.104
  264   3HD2  LEU  15          HD23      LEU  36   2.284  -4.263   1.295
  265    OH   TYR  16           OH       TYR  37   2.625  -7.819 -10.993
  266    H    TYR  16           HN       TYR  37  -0.115  -4.647  -3.865
  267    HA   TYR  16           HA       TYR  37   2.075  -6.226  -4.764
  268   1HB   TYR  16           HB1      TYR  37  -0.097  -6.882  -5.561
  269   2HB   TYR  16           HB2      TYR  37  -0.391  -5.303  -6.272
  270    HD1  TYR  16           HD2      TYR  37   0.774  -4.622  -8.371
  271    HD2  TYR  16           HD1      TYR  37   1.322  -8.545  -6.737
  272    HE1  TYR  16           HE2      TYR  37   1.735  -5.390 -10.484
  273    HE2  TYR  16           HE1      TYR  37   2.292  -9.285  -8.853
  274    HH   TYR  16           HH       TYR  37   2.680  -8.778 -10.955
  275    H    LEU  17           HN       LEU  38   1.044  -3.089  -5.620
  276    HA   LEU  17           HA       LEU  38   2.865  -2.730  -7.844
  277   1HB   LEU  17           HB1      LEU  38   0.521  -1.693  -7.252
  278   2HB   LEU  17           HB2      LEU  38   1.468  -0.479  -6.414
  279    HG   LEU  17           HG       LEU  38   2.279  -1.159  -9.247
  280   1HD1  LEU  17          HD12      LEU  38  -0.233  -1.058  -9.295
  281   2HD1  LEU  17          HD11      LEU  38  -0.192   0.509  -8.513
  282   3HD1  LEU  17          HD13      LEU  38   0.459   0.306 -10.136
  283   1HD2  LEU  17          HD21      LEU  38   3.457   0.608  -7.872
  284   2HD2  LEU  17          HD23      LEU  38   2.676   1.273  -9.303
  285   3HD2  LEU  17          HD22      LEU  38   1.932   1.466  -7.733
  286    H    VAL  18           HN       VAL  39   3.094  -2.145  -4.452
  287    HA   VAL  18           HA       VAL  39   5.508  -0.475  -4.831
  288    HB   VAL  18           HB       VAL  39   3.296  -0.150  -3.314
  289   1HG1  VAL  18          HG11      VAL  39   5.154  -1.411  -1.320
  290   2HG1  VAL  18          HG13      VAL  39   3.707  -0.470  -0.985
  291   3HG1  VAL  18          HG12      VAL  39   3.564  -1.963  -1.850
  292   1HG2  VAL  18          HG22      VAL  39   6.096   0.861  -2.592
  293   2HG2  VAL  18          HG21      VAL  39   5.009   1.600  -3.753
  294   3HG2  VAL  18          HG23      VAL  39   4.578   1.575  -2.063
  295    H    CYS  19           HN       CYS  40   4.503  -3.363  -3.273
  296    HA   CYS  19           HA       CYS  40   7.264  -4.264  -2.732
  297   1HB   CYS  19           HB1      CYS  40   4.813  -4.185  -1.022
  298   2HB   CYS  19           HB2      CYS  40   6.033  -5.422  -0.773
  299    H    GLY  20           HN       GLY  41   5.609  -4.807  -5.037
  300   1HA   GLY  20           HA1      GLY  41   4.630  -7.539  -4.603
  301   2HA   GLY  20           HA2      GLY  41   4.531  -6.650  -6.095
  302    H    GLU  21           HN       GLU  42   5.712  -9.156  -4.971
  303    HA   GLU  21           HA       GLU  42   6.960 -10.740  -6.252
  304   1HB   GLU  21           HB1      GLU  42   8.935  -8.392  -6.743
  305   2HB   GLU  21           HB2      GLU  42   9.311 -10.046  -7.101
  306   1HG   GLU  21           HG2      GLU  42   7.803 -10.207  -8.882
  307   2HG   GLU  21           HG1      GLU  42   6.908  -8.767  -8.388
  308    NH1  ARG  22           NH1      ARG  43   9.796  -3.991  -3.527
  309    NH2  ARG  22           NH2      ARG  43   8.981  -4.073  -5.638
  310    H    ARG  22           HN       ARG  43   7.785  -8.606  -3.888
  311    HA   ARG  22           HA       ARG  43   9.899 -10.417  -2.754
  312   1HB   ARG  22           HB1      ARG  43   9.031  -7.723  -1.550
  313   2HB   ARG  22           HB2      ARG  43  10.510  -8.607  -1.254
  314   1HG   ARG  22           HG2      ARG  43  11.061  -6.695  -2.596
  315   2HG   ARG  22           HG1      ARG  43  11.279  -8.132  -3.572
  316   1HD   ARG  22           HD2      ARG  43   9.371  -7.688  -4.887
  317   2HD   ARG  22           HD1      ARG  43   8.634  -6.644  -3.666
  318    HE   ARG  22           HE       ARG  43  11.018  -5.906  -5.335
  319   1HH1  ARG  22          HH12      ARG  43  10.328  -4.410  -2.789
  320   2HH1  ARG  22          HH11      ARG  43   9.364  -3.094  -3.411
  321   1HH2  ARG  22          HH21      ARG  43   8.869  -4.542  -6.511
  322   2HH2  ARG  22          HH22      ARG  43   8.571  -3.176  -5.493
  323    H    GLY  23           HN       GLY  44   6.822  -8.995  -2.209
  324   1HA   GLY  23           HA1      GLY  44   4.978 -10.032  -1.090
  325   2HA   GLY  23           HA2      GLY  44   6.064 -11.084  -0.205
  326    H    PHE  24           HN       PHE  45   3.993  -9.501   0.738
  327    HA   PHE  24           HA       PHE  45   5.365  -7.680   2.640
  328   1HB   PHE  24           HB1      PHE  45   2.786  -6.691   2.525
  329   2HB   PHE  24           HB2      PHE  45   4.070  -6.084   1.485
  330    HD1  PHE  24           HD2      PHE  45   1.262  -8.502   1.683
  331    HD2  PHE  24           HD1      PHE  45   4.020  -6.568  -0.951
  332    HE1  PHE  24           HE2      PHE  45   0.045  -9.388  -0.251
  333    HE2  PHE  24           HE1      PHE  45   2.782  -7.455  -2.875
  334    HZ   PHE  24           HZ       PHE  45   0.795  -8.869  -2.534
  335    H    PHE  25           HN       PHE  46   4.306  -7.461   4.589
  336    HA   PHE  25           HA       PHE  46   2.849  -9.883   5.589
  337   1HB   PHE  25           HB1      PHE  46   4.998  -8.231   7.000
  338   2HB   PHE  25           HB2      PHE  46   4.110  -9.551   7.748
  339    HD1  PHE  25           HD1      PHE  46   4.064 -11.738   6.074
  340    HD2  PHE  25           HD2      PHE  46   7.184  -8.838   6.299
  341    HE1  PHE  25           HE1      PHE  46   5.655 -13.379   5.188
  342    HE2  PHE  25           HE2      PHE  46   8.770 -10.482   5.413
  343    HZ   PHE  25           HZ       PHE  46   8.014 -12.752   4.845
   
 Raw file had 343 H/Q atoms
  Start of MODEL   14
    1   1H    GLY   1           HT2      GLY   1  -1.247  -5.642   8.922
    2   2H    GLY   1           HT1      GLY   1  -0.448  -6.649  10.035
    3   3H    GLY   1           HT3      GLY   1  -1.661  -5.596  10.563
    4   1HA   GLY   1           HA1      GLY   1  -0.182  -4.013  10.918
    5   2HA   GLY   1           HA2      GLY   1   1.082  -5.136  10.391
    6    H    ILE   2           HN       ILE   2  -1.568  -3.283   8.848
    7    HA   ILE   2           HA       ILE   2  -0.580  -3.063   6.322
    8    HB   ILE   2           HB       ILE   2  -1.975  -1.099   6.009
    9   1HG1  ILE   2          HG12      ILE   2  -1.168   0.361   7.803
   10   2HG1  ILE   2          HG11      ILE   2  -2.906   0.262   7.804
   11   1HG2  ILE   2          HG22      ILE   2  -3.263  -3.156   6.456
   12   2HG2  ILE   2          HG21      ILE   2  -3.234  -2.832   8.181
   13   3HG2  ILE   2          HG23      ILE   2  -4.112  -1.763   7.104
   14   1HD1  ILE   2           HD1      ILE   2  -1.096  -1.241   9.741
   15   2HD1  ILE   2           HD3      ILE   2  -2.010   0.197  10.087
   16   3HD1  ILE   2           HD2      ILE   2  -2.857  -1.291   9.730
   17    H    VAL   3           HN       VAL   3   0.673  -1.431   9.018
   18    HA   VAL   3           HA       VAL   3   2.392   0.298   7.298
   19    HB   VAL   3           HB       VAL   3   1.108   1.514   9.002
   20   1HG1  VAL   3          HG12      VAL   3   0.798  -0.350  10.689
   21   2HG1  VAL   3          HG11      VAL   3   2.507  -0.264  11.084
   22   3HG1  VAL   3          HG13      VAL   3   1.447   1.079  11.437
   23   1HG2  VAL   3          HG21      VAL   3   3.417   2.275   8.504
   24   2HG2  VAL   3          HG23      VAL   3   2.950   2.654  10.150
   25   3HG2  VAL   3          HG22      VAL   3   4.044   1.330   9.835
   26    H    GLU   4           HN       GLU   4   2.463  -2.413   9.393
   27    HA   GLU   4           HA       GLU   4   5.289  -2.176   9.979
   28   1HB   GLU   4           HB1      GLU   4   3.607  -3.405  11.385
   29   2HB   GLU   4           HB2      GLU   4   3.512  -4.628  10.131
   30   1HG   GLU   4           HG2      GLU   4   5.197  -5.659  11.074
   31   2HG   GLU   4           HG1      GLU   4   6.308  -4.385  10.640
   32    H    GLN   5           HN       GLN   5   3.502  -3.669   7.526
   33    HA   GLN   5           HA       GLN   5   5.896  -5.019   6.420
   34   1HB   GLN   5           HB1      GLN   5   3.751  -6.267   6.223
   35   2HB   GLN   5           HB2      GLN   5   3.016  -4.883   5.410
   36   1HG   GLN   5           HG2      GLN   5   3.611  -6.562   3.713
   37   2HG   GLN   5           HG1      GLN   5   4.595  -5.150   3.498
   38   1HE2  GLN   5          HE21      GLN   5   6.513  -8.520   3.558
   39   2HE2  GLN   5          HE22      GLN   5   4.921  -8.271   3.025
   40    H    CYS   6           HN       CYS   6   3.827  -2.326   5.827
   41    HA   CYS   6           HA       CYS   6   5.103  -1.529   3.302
   42   1HB   CYS   6           HB1      CYS   6   2.925  -0.317   4.926
   43   2HB   CYS   6           HB2      CYS   6   3.538   0.427   3.454
   44    H    CYS   7           HN       CYS   7   5.637  -0.277   6.637
   45    HA   CYS   7           HA       CYS   7   7.281   1.795   5.307
   46   1HB   CYS   7           HB1      CYS   7   5.286   2.705   6.401
   47   2HB   CYS   7           HB2      CYS   7   5.723   1.906   7.883
   48    H    THR   8           HN       THR   8   6.678  -0.139   8.109
   49    HA   THR   8           HA       THR   8   9.180   0.199   9.289
   50    HB   THR   8           HB       THR   8   7.210  -2.100   9.343
   51    HG1  THR   8           HG1      THR   8   7.478  -0.866  11.633
   52   1HG2  THR   8          HG21      THR   8   9.574  -1.716  11.255
   53   2HG2  THR   8          HG23      THR   8   8.327  -2.946  11.401
   54   3HG2  THR   8          HG22      THR   8   9.471  -2.996  10.074
   55    H    SER   9           HN       SER   9   8.095  -1.489   6.656
   56    HA   SER   9           HA       SER   9  10.741  -2.409   5.755
   57   1HB   SER   9           HB1      SER   9   8.304  -4.335   5.675
   58   2HB   SER   9           HB2      SER   9  10.011  -4.737   5.456
   59    HG   SER   9           HG1      SER   9   8.564  -4.275   7.741
   60    H    ILE  10           HN       ILE  10   9.578  -3.754   3.571
   61    HA   ILE  10           HA       ILE  10   8.274  -1.512   2.084
   62    HB   ILE  10           HB       ILE  10   9.974  -3.723   0.881
   63   1HG1  ILE  10          HG12      ILE  10  11.470  -2.391   2.366
   64   2HG1  ILE  10          HG11      ILE  10  11.855  -2.225   0.667
   65   1HG2  ILE  10          HG21      ILE  10   9.013  -1.108  -0.212
   66   2HG2  ILE  10          HG23      ILE  10  10.077  -2.267  -1.028
   67   3HG2  ILE  10          HG22      ILE  10   8.432  -2.710  -0.611
   68   1HD1  ILE  10           HD2      ILE  10  10.664  -0.069   0.590
   69   2HD1  ILE  10           HD1      ILE  10  10.308  -0.191   2.308
   70   3HD1  ILE  10           HD3      ILE  10  11.972  -0.086   1.737
   71    H    CYS  11           HN       CYS  11   6.450  -1.969   1.125
   72    HA   CYS  11           HA       CYS  11   5.469  -4.818   0.998
   73   1HB   CYS  11           HB1      CYS  11   3.305  -4.063   1.790
   74   2HB   CYS  11           HB2      CYS  11   4.427  -3.155   2.613
   75    H    SER  12           HN       SER  12   3.671  -4.761  -1.036
   76    HA   SER  12           HA       SER  12   5.029  -3.121  -3.172
   77   1HB   SER  12           HB1      SER  12   4.992  -4.975  -4.643
   78   2HB   SER  12           HB2      SER  12   5.464  -5.662  -3.103
   79    HG   SER  12           HG1      SER  12   3.290  -6.210  -4.552
   80    H    LEU  13           HN       LEU  13   3.465  -3.912  -5.253
   81    HA   LEU  13           HA       LEU  13   1.002  -2.291  -4.837
   82   1HB   LEU  13           HB1      LEU  13   2.815  -1.453  -6.355
   83   2HB   LEU  13           HB2      LEU  13   2.719  -2.916  -7.299
   84    HG   LEU  13           HG       LEU  13   0.217  -2.233  -7.638
   85   1HD1  LEU  13          HD12      LEU  13   0.241  -0.291  -6.030
   86   2HD1  LEU  13          HD11      LEU  13   1.474   0.486  -7.016
   87   3HD1  LEU  13          HD13      LEU  13  -0.139   0.232  -7.667
   88   1HD2  LEU  13          HD21      LEU  13   1.889  -2.291  -9.484
   89   2HD2  LEU  13          HD23      LEU  13   0.847  -0.891  -9.668
   90   3HD2  LEU  13          HD22      LEU  13   2.469  -0.703  -9.023
   91    OH   TYR  14           OH       TYR  14  -1.810 -12.563  -6.471
   92    H    TYR  14           HN       TYR  14   1.882  -5.344  -5.015
   93    HA   TYR  14           HA       TYR  14  -0.567  -6.411  -6.345
   94   1HB   TYR  14           HB1      TYR  14   1.583  -7.435  -7.214
   95   2HB   TYR  14           HB2      TYR  14   2.039  -7.844  -5.578
   96    HD1  TYR  14           HD2      TYR  14  -1.290  -8.153  -7.339
   97    HD2  TYR  14           HD1      TYR  14   1.870 -10.194  -5.326
   98    HE1  TYR  14           HE2      TYR  14  -2.572 -10.240  -7.424
   99    HE2  TYR  14           HE1      TYR  14   0.577 -12.265  -5.413
  100    HH   TYR  14           HH       TYR  14  -2.458 -12.486  -7.175
  101    H    GLN  15           HN       GLN  15   1.713  -6.687  -3.800
  102    HA   GLN  15           HA       GLN  15   0.135  -8.232  -1.987
  103   1HB   GLN  15           HB1      GLN  15   2.616  -6.497  -1.509
  104   2HB   GLN  15           HB2      GLN  15   1.935  -7.569  -0.315
  105   1HG   GLN  15           HG2      GLN  15   2.860  -8.574  -3.043
  106   2HG   GLN  15           HG1      GLN  15   3.872  -8.584  -1.595
  107   1HE2  GLN  15          HE21      GLN  15   1.124 -11.475  -2.068
  108   2HE2  GLN  15          HE22      GLN  15   1.504 -10.368  -3.303
  109    H    LEU  16           HN       LEU  16   0.036  -4.912  -2.831
  110    HA   LEU  16           HA       LEU  16  -1.173  -4.206  -0.199
  111   1HB   LEU  16           HB1      LEU  16   0.520  -2.771  -1.316
  112   2HB   LEU  16           HB2      LEU  16  -0.616  -2.448  -2.610
  113    HG   LEU  16           HG       LEU  16  -2.156  -1.399  -0.817
  114   1HD1  LEU  16          HD11      LEU  16   0.273  -1.800   0.976
  115   2HD1  LEU  16          HD13      LEU  16  -1.171  -0.886   1.375
  116   3HD1  LEU  16          HD12      LEU  16  -1.263  -2.619   1.152
  117   1HD2  LEU  16          HD21      LEU  16  -0.545  -0.035  -2.164
  118   2HD2  LEU  16          HD23      LEU  16  -0.767   0.621  -0.549
  119   3HD2  LEU  16          HD22      LEU  16   0.686  -0.280  -0.930
  120    H    GLU  17           HN       GLU  17  -2.027  -5.539  -3.074
  121    HA   GLU  17           HA       GLU  17  -4.592  -4.222  -3.511
  122   1HB   GLU  17           HB1      GLU  17  -3.350  -6.770  -4.571
  123   2HB   GLU  17           HB2      GLU  17  -4.981  -6.344  -4.905
  124   1HG   GLU  17           HG2      GLU  17  -4.148  -4.074  -5.730
  125   2HG   GLU  17           HG1      GLU  17  -2.511  -4.633  -5.446
  126    H    ASN  18           HN       ASN  18  -3.428  -6.931  -1.808
  127    HA   ASN  18           HA       ASN  18  -6.066  -8.047  -1.098
  128   1HB   ASN  18           HB1      ASN  18  -4.683  -9.636   0.322
  129   2HB   ASN  18           HB2      ASN  18  -4.211  -9.613  -1.359
  130   1HD2  ASN  18          HD21      ASN  18  -0.907  -8.944  -0.543
  131   2HD2  ASN  18          HD22      ASN  18  -2.046  -9.717  -1.537
  132    OH   TYR  19           OH       TYR  19   0.087  -4.695   3.783
  133    H    TYR  19           HN       TYR  19  -5.649  -5.381  -0.415
  134    HA   TYR  19           HA       TYR  19  -5.922  -5.299   2.561
  135   1HB   TYR  19           HB1      TYR  19  -4.922  -3.226   0.500
  136   2HB   TYR  19           HB2      TYR  19  -5.474  -2.727   2.087
  137    HD1  TYR  19           HD1      TYR  19  -3.243  -5.556   0.871
  138    HD2  TYR  19           HD2      TYR  19  -3.705  -2.236   3.528
  139    HE1  TYR  19           HE1      TYR  19  -1.061  -6.014   1.872
  140    HE2  TYR  19           HE2      TYR  19  -1.504  -2.731   4.506
  141    HH   TYR  19           HH       TYR  19  -0.054  -5.324   4.491
  142    H    CYS  20           HN       CYS  20  -6.837  -4.032  -0.639
  143    HA   CYS  20           HA       CYS  20  -9.624  -3.581   0.283
  144   1HB   CYS  20           HB1      CYS  20  -9.906  -2.436  -1.835
  145   2HB   CYS  20           HB2      CYS  20  -8.496  -1.840  -1.015
  146    H    ASN  21           HN       ASN  21 -10.967  -4.049  -1.915
  147    HA   ASN  21           HA       ASN  21 -11.689  -5.543  -3.625
  148   1HB   ASN  21           HB1      ASN  21  -9.389  -6.848  -3.535
  149   2HB   ASN  21           HB2      ASN  21 -10.148  -7.863  -2.304
  150   1HD2  ASN  21          HD21      ASN  21 -12.088  -9.641  -4.625
  151   2HD2  ASN  21          HD22      ASN  21 -11.531  -9.498  -3.023
  152   1H    PHE   1           HT1      PHE  22  12.844   0.814 -11.797
  153   2H    PHE   1           HT3      PHE  22  11.509   0.436 -12.772
  154   3H    PHE   1           HT2      PHE  22  11.926   2.055 -12.498
  155    HA   PHE   1           HA       PHE  22  10.635   2.155 -10.756
  156   1HB   PHE   1           HB1      PHE  22   9.178   0.592 -11.900
  157   2HB   PHE   1           HB2      PHE  22  10.165  -0.777 -11.464
  158    HD1  PHE   1           HD1      PHE  22   8.175   1.952  -9.711
  159    HD2  PHE   1           HD2      PHE  22   9.392  -2.134  -9.767
  160    HE1  PHE   1           HE1      PHE  22   6.730   1.479  -7.774
  161    HE2  PHE   1           HE2      PHE  22   7.954  -2.591  -7.837
  162    HZ   PHE   1           HZ       PHE  22   6.615  -0.793  -6.844
  163    H    VAL   2           HN       VAL  23  10.506   1.812  -8.562
  164    HA   VAL   2           HA       VAL  23  12.433   0.037  -7.198
  165    HB   VAL   2           HB       VAL  23  13.084   2.095  -5.730
  166   1HG1  VAL   2          HG11      VAL  23  13.863   2.224  -8.700
  167   2HG1  VAL   2          HG13      VAL  23  14.750   2.951  -7.374
  168   3HG1  VAL   2          HG12      VAL  23  14.631   1.211  -7.501
  169   1HG2  VAL   2          HG21      VAL  23  11.184   3.548  -6.436
  170   2HG2  VAL   2          HG23      VAL  23  12.723   4.328  -6.749
  171   3HG2  VAL   2          HG22      VAL  23  11.823   3.599  -8.068
  172    H    ASN   3           HN       ASN  24  12.014   0.396  -4.751
  173    HA   ASN   3           HA       ASN  24   9.090   0.787  -4.247
  174   1HB   ASN   3           HB1      ASN  24  10.181  -1.691  -4.442
  175   2HB   ASN   3           HB2      ASN  24  10.620  -1.366  -2.782
  176   1HD2  ASN   3          HD21      ASN  24   6.726  -0.888  -2.506
  177   2HD2  ASN   3          HD22      ASN  24   7.815   0.369  -2.873
  178    H    GLN   4           HN       GLN  25   8.772   1.053  -1.725
  179    HA   GLN   4           HA       GLN  25  11.098   1.989  -0.262
  180   1HB   GLN   4           HB1      GLN  25  10.561   3.862  -1.978
  181   2HB   GLN   4           HB2      GLN  25   9.034   4.069  -1.117
  182   1HG   GLN   4           HG2      GLN  25  10.272   4.720   0.941
  183   2HG   GLN   4           HG1      GLN  25  11.800   4.460   0.100
  184   1HE2  GLN   4          HE21      GLN  25   9.483   7.743  -0.548
  185   2HE2  GLN   4          HE22      GLN  25   8.943   6.426   0.392
  186    H    HIS   5           HN       HIS  26  10.274   3.251   1.682
  187    HA   HIS   5           HA       HIS  26   8.208   1.625   3.003
  188   1HB   HIS   5           HB1      HIS  26   9.951   3.823   4.237
  189   2HB   HIS   5           HB2      HIS  26   9.114   2.502   5.054
  190    HD1  HIS   5           HD1      HIS  26  10.318   0.301   5.156
  191    HD2  HIS   5           HD2      HIS  26  12.326   2.928   2.776
  192    HE1  HIS   5           HE1      HIS  26  12.484  -0.745   4.657
  193    H    LEU   6           HN       LEU  27   6.459   2.622   3.949
  194    HA   LEU   6           HA       LEU  27   5.376   5.284   3.021
  195   1HB   LEU   6           HB1      LEU  27   4.049   2.596   3.563
  196   2HB   LEU   6           HB2      LEU  27   3.191   4.063   3.104
  197    HG   LEU   6           HG       LEU  27   5.402   2.931   1.330
  198   1HD1  LEU   6          HD11      LEU  27   2.395   2.307   1.148
  199   2HD1  LEU   6          HD13      LEU  27   3.613   1.860  -0.033
  200   3HD1  LEU   6          HD12      LEU  27   3.652   1.163   1.562
  201   1HD2  LEU   6          HD21      LEU  27   4.606   5.272   0.943
  202   2HD2  LEU   6          HD23      LEU  27   4.220   4.237  -0.413
  203   3HD2  LEU   6          HD22      LEU  27   2.972   4.661   0.751
  204    H    CYS   7           HN       CYS  28   3.448   4.164   4.924
  205    HA   CYS   7           HA       CYS  28   3.480   3.862   7.447
  206   1HB   CYS   7           HB1      CYS  28   5.134   6.402   7.262
  207   2HB   CYS   7           HB2      CYS  28   4.047   6.237   8.581
  208    H    GLY   8           HN       GLY  29   2.718   7.191   6.183
  209   1HA   GLY   8           HA1      GLY  29  -0.017   6.586   7.218
  210   2HA   GLY   8           HA2      GLY  29   0.764   8.067   7.738
  211    H    SER   9           HN       SER  30   1.244   9.607   5.922
  212    HA   SER   9           HA       SER  30  -1.107   9.563   4.134
  213   1HB   SER   9           HB1      SER  30  -0.390  11.697   5.419
  214   2HB   SER   9           HB2      SER  30   1.082  11.736   4.443
  215    HG   SER   9           HG1      SER  30  -1.144  11.392   2.914
  216    H    HIS  10           HN       HIS  31   1.590   8.065   3.933
  217    HA   HIS  10           HA       HIS  31   1.983   8.564   1.008
  218   1HB   HIS  10           HB1      HIS  31   3.792   7.034   2.943
  219   2HB   HIS  10           HB2      HIS  31   3.881   7.323   1.177
  220    HD1  HIS  10           HD1      HIS  31   4.546   9.778   0.512
  221    HD2  HIS  10           HD2      HIS  31   4.422   9.299   4.572
  222    HE1  HIS  10           HE1      HIS  31   5.552  11.806   1.477
  223    H    LEU  11           HN       LEU  32   1.456   6.303   3.668
  224    HA   LEU  11           HA       LEU  32   1.250   3.921   2.229
  225   1HB   LEU  11           HB1      LEU  32   0.162   4.873   4.762
  226   2HB   LEU  11           HB2      LEU  32  -1.035   3.839   3.994
  227    HG   LEU  11           HG       LEU  32   1.820   3.246   4.529
  228   1HD1  LEU  11          HD11      LEU  32  -0.770   2.229   5.819
  229   2HD1  LEU  11          HD13      LEU  32   0.821   1.587   6.193
  230   3HD1  LEU  11          HD12      LEU  32   0.434   3.254   6.590
  231   1HD2  LEU  11          HD22      LEU  32  -0.480   1.482   3.457
  232   2HD2  LEU  11          HD21      LEU  32   0.926   1.935   2.521
  233   3HD2  LEU  11          HD23      LEU  32   1.097   0.828   3.854
  234    H    VAL  12           HN       VAL  33  -1.104   6.223   3.004
  235    HA   VAL  12           HA       VAL  33  -3.285   5.242   1.416
  236    HB   VAL  12           HB       VAL  33  -4.249   7.552   1.837
  237   1HG1  VAL  12          HG11      VAL  33  -2.872   6.268   4.249
  238   2HG1  VAL  12          HG13      VAL  33  -4.267   7.342   4.309
  239   3HG1  VAL  12          HG12      VAL  33  -4.408   5.754   3.583
  240   1HG2  VAL  12          HG22      VAL  33  -1.539   8.080   2.946
  241   2HG2  VAL  12          HG21      VAL  33  -2.244   8.852   1.552
  242   3HG2  VAL  12          HG23      VAL  33  -2.928   9.143   3.143
  243    H    GLU  13           HN       GLU  34  -0.412   6.514   0.130
  244    HA   GLU  13           HA       GLU  34  -1.772   7.768  -2.193
  245   1HB   GLU  13           HB1      GLU  34   1.133   7.880  -1.198
  246   2HB   GLU  13           HB2      GLU  34   0.581   8.600  -2.686
  247   1HG   GLU  13           HG2      GLU  34  -0.631   9.271   0.015
  248   2HG   GLU  13           HG1      GLU  34   0.717  10.197  -0.638
  249    H    ALA  14           HN       ALA  35   0.141   5.277  -0.818
  250    HA   ALA  14           HA       ALA  35   0.740   4.048  -3.380
  251   1HB   ALA  14           HB1      ALA  35   1.324   3.189  -0.471
  252   2HB   ALA  14           HB3      ALA  35   1.997   2.383  -1.882
  253   3HB   ALA  14           HB2      ALA  35   2.443   4.037  -1.521
  254    H    LEU  15           HN       LEU  36  -1.442   3.996  -0.791
  255    HA   LEU  15           HA       LEU  36  -2.708   1.453  -1.521
  256   1HB   LEU  15           HB1      LEU  36  -2.186   1.994   0.840
  257   2HB   LEU  15           HB2      LEU  36  -3.122   3.453   0.717
  258    HG   LEU  15           HG       LEU  36  -5.108   2.402   0.432
  259   1HD1  LEU  15          HD12      LEU  36  -4.368   0.252  -0.798
  260   2HD1  LEU  15          HD11      LEU  36  -3.589  -0.291   0.668
  261   3HD1  LEU  15          HD13      LEU  36  -5.340  -0.178   0.606
  262   1HD2  LEU  15          HD22      LEU  36  -3.601   1.220   2.763
  263   2HD2  LEU  15          HD21      LEU  36  -4.485   2.748   2.695
  264   3HD2  LEU  15          HD23      LEU  36  -5.354   1.228   2.612
  265    OH   TYR  16           OH       TYR  37  -5.398   9.421  -8.050
  266    H    TYR  16           HN       TYR  37  -2.802   4.536  -2.518
  267    HA   TYR  16           HA       TYR  37  -5.702   4.740  -3.136
  268   1HB   TYR  16           HB1      TYR  37  -5.006   6.915  -2.471
  269   2HB   TYR  16           HB2      TYR  37  -3.348   6.636  -3.007
  270    HD1  TYR  16           HD1      TYR  37  -6.814   7.297  -4.310
  271    HD2  TYR  16           HD2      TYR  37  -2.623   7.448  -5.070
  272    HE1  TYR  16           HE1      TYR  37  -7.221   8.543  -6.380
  273    HE2  TYR  16           HE2      TYR  37  -3.032   8.690  -7.124
  274    HH   TYR  16           HH       TYR  37  -4.560   9.576  -8.491
  275    H    LEU  17           HN       LEU  38  -2.482   4.907  -4.481
  276    HA   LEU  17           HA       LEU  38  -3.042   4.824  -7.215
  277   1HB   LEU  17           HB1      LEU  38  -0.806   5.274  -6.222
  278   2HB   LEU  17           HB2      LEU  38  -0.781   3.591  -5.648
  279    HG   LEU  17           HG       LEU  38  -0.608   2.713  -7.867
  280   1HD1  LEU  17          HD11      LEU  38  -0.895   5.570  -8.931
  281   2HD1  LEU  17          HD13      LEU  38  -0.540   4.155  -9.898
  282   3HD1  LEU  17          HD12      LEU  38  -2.103   4.307  -9.130
  283   1HD2  LEU  17          HD21      LEU  38   1.503   3.586  -6.870
  284   2HD2  LEU  17          HD23      LEU  38   1.524   3.774  -8.613
  285   3HD2  LEU  17          HD22      LEU  38   1.188   5.155  -7.584
  286    H    VAL  18           HN       VAL  39  -3.015   2.384  -4.770
  287    HA   VAL  18           HA       VAL  39  -3.450   0.279  -6.749
  288    HB   VAL  18           HB       VAL  39  -1.791   0.350  -4.633
  289   1HG1  VAL  18          HG12      VAL  39  -3.520   0.327  -2.919
  290   2HG1  VAL  18          HG11      VAL  39  -4.114  -1.206  -3.515
  291   3HG1  VAL  18          HG13      VAL  39  -2.515  -1.109  -2.832
  292   1HG2  VAL  18          HG22      VAL  39  -3.133  -2.166  -5.755
  293   2HG2  VAL  18          HG21      VAL  39  -1.758  -1.357  -6.466
  294   3HG2  VAL  18          HG23      VAL  39  -1.591  -2.158  -4.918
  295    H    CYS  19           HN       CYS  40  -4.939   1.445  -3.816
  296    HA   CYS  19           HA       CYS  40  -7.518   0.113  -4.560
  297   1HB   CYS  19           HB1      CYS  40  -6.364   0.229  -1.726
  298   2HB   CYS  19           HB2      CYS  40  -7.955  -0.292  -2.245
  299    H    GLY  20           HN       GLY  41  -6.784   2.629  -5.227
  300   1HA   GLY  20           HA1      GLY  41  -8.137   4.403  -3.304
  301   2HA   GLY  20           HA2      GLY  41  -7.280   4.942  -4.736
  302    H    GLU  21           HN       GLU  42  -8.807   2.639  -6.141
  303    HA   GLU  21           HA       GLU  42 -11.243   4.283  -6.642
  304   1HB   GLU  21           HB1      GLU  42 -10.025   2.232  -8.536
  305   2HB   GLU  21           HB2      GLU  42 -11.192   3.481  -8.940
  306   1HG   GLU  21           HG2      GLU  42  -9.302   5.171  -8.327
  307   2HG   GLU  21           HG1      GLU  42  -8.231   3.781  -8.264
  308    NH1  ARG  22           NH1      ARG  43 -12.193  -3.553  -8.341
  309    NH2  ARG  22           NH2      ARG  43 -11.756  -5.672  -7.653
  310    H    ARG  22           HN       ARG  43 -10.665   2.201  -4.731
  311    HA   ARG  22           HA       ARG  43 -13.110   0.576  -5.179
  312   1HB   ARG  22           HB1      ARG  43 -10.530  -0.496  -5.504
  313   2HB   ARG  22           HB2      ARG  43 -10.893  -0.869  -3.828
  314   1HG   ARG  22           HG2      ARG  43 -12.962  -2.053  -4.457
  315   2HG   ARG  22           HG1      ARG  43 -12.803  -1.540  -6.125
  316   1HD   ARG  22           HD2      ARG  43 -10.578  -2.798  -6.203
  317   2HD   ARG  22           HD1      ARG  43 -10.964  -3.427  -4.610
  318    HE   ARG  22           HE       ARG  43 -12.986  -4.483  -5.620
  319   1HH1  ARG  22          HH12      ARG  43 -12.440  -2.607  -8.129
  320   2HH1  ARG  22          HH11      ARG  43 -12.037  -3.832  -9.287
  321   1HH2  ARG  22          HH22      ARG  43 -11.647  -6.338  -6.917
  322   2HH2  ARG  22          HH21      ARG  43 -11.627  -5.949  -8.604
  323    H    GLY  23           HN       GLY  44 -10.527   1.628  -3.212
  324   1HA   GLY  23           HA1      GLY  44 -10.772   2.915  -1.186
  325   2HA   GLY  23           HA2      GLY  44 -12.349   2.209  -0.924
  326    H    PHE  24           HN       PHE  45 -10.300   2.555   0.870
  327    HA   PHE  24           HA       PHE  45  -9.921  -0.204   1.925
  328   1HB   PHE  24           HB1      PHE  45  -7.605   0.699   2.793
  329   2HB   PHE  24           HB2      PHE  45  -7.711   0.281   1.091
  330    HD1  PHE  24           HD2      PHE  45  -7.732   3.144   3.497
  331    HD2  PHE  24           HD1      PHE  45  -7.540   1.962  -0.598
  332    HE1  PHE  24           HE2      PHE  45  -7.120   5.442   2.852
  333    HE2  PHE  24           HE1      PHE  45  -6.916   4.257  -1.229
  334    HZ   PHE  24           HZ       PHE  45  -6.712   5.997   0.499
  335    H    PHE  25           HN       PHE  46  -8.733   0.442   4.291
  336    HA   PHE  25           HA       PHE  46 -10.801   2.125   5.656
  337   1HB   PHE  25           HB1      PHE  46  -9.056  -0.125   6.744
  338   2HB   PHE  25           HB2      PHE  46 -10.185   0.820   7.710
  339    HD1  PHE  25           HD2      PHE  46 -12.647   0.860   6.920
  340    HD2  PHE  25           HD1      PHE  46  -9.828  -2.027   5.584
  341    HE1  PHE  25           HE2      PHE  46 -14.492  -0.628   6.238
  342    HE2  PHE  25           HE1      PHE  46 -11.667  -3.521   4.915
  343    HZ   PHE  25           HZ       PHE  46 -14.002  -2.826   5.247
   
   
  No H/Q in entry =         343