*HEADER   HORMONE                                 28-FEB-92   1HIT    
*COMPND   INSULIN (HUMAN) MUTANT WITH PHE B 24 REPLACED BY GLY        
*COMPND  2 (F24G) (NMR, REPRESENTATIVE PLUS 8 STRUCTURES)             
*SOURCE   SEMISYNTHETIC FROM HUMAN INSULIN                            
*AUTHOR   Q.X.HUA,M.KOCHOYAN,M.A.WEISS                                
*REVDAT  1   31-JAN-94 1HIT    0                                      

#Gly-B24 HI 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.
        
         1 GLY  HA1	 2 ILE  HN	2.7 
         1 GLY  HA2	 2 ILE  HN	2.7 
         2 ILE	HA	 3 VAL	HN	4.3	
         3 VAL	HA	 4 GLU	HN      4.3	
         5 GLN	HA	 6 CYS	HN      4.3	
         6 CYS  HA 	 7 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	4.3
        12 SER	HA	13 LEU	HN	2.7
        13 LEU	HA	14 TYR	HN	4.3
        14 TYR	HA	15 GLN	HN	4.3 
        15 GLN	HA	16 LEU	HN	4.3
        16 LEU	HA	17 GLU	HN	3.4
        17 GLU	HA	18 ASN	HN	3.4
        18 ASN	HA	19 TYR	HN	3.4
        19 TYR	HA	20 CYS	HN	4.3
        20 CYS  HA	21 ASN  HN	3.4
 
         2 ILE	HN	 3 VAL	HN	3.4 
         4 GLU	HN	 5 GLN	HN	3.4
         6 CYS	HN	 7 CYS	HN	3.4
         8 THR	HN	 9 SER	HN	4.3
        12 SER  HN	13 LEU  HN	4.3 
	13 LEU	HN	14 TYR	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	
         
         3 VAL  HB	 4 GLU  HN	3.4 
	 4 GLU	HB1	 5 GLN	HN      5.1 	
         4 GLU	HB2	 5 GLN	HN      5.1 	
         5 GLN	HB1	 6 CYS	HN      3.4 
         5 GLN	HB2	 6 CYS	HN      3.4 
         7 CYS	HB2	 8 THR	HN      4.3 	
         8 THR	HB	 9 SER	HN	4.3
         9 SER	HB1	10 ILE	HN      5.1 	
         9 SER	HB2	10 ILE	HN      5.1 	
        12 SER  HB1     13 LEU  HN      4.3 
        12 SER  HB2     13 LEU  HN      4.3 
        13 LEU  HB1     14 TYR  HN      5.1 
        13 LEU  HB2     14 TYR  HN      5.1 
        14 TYR	HB1	15 GLN	HN      4.3	
        14 TYR	HB2	15 GLN	HN      4.3	
        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      6.0 	
        17 GLU	HB2	18 ASN	HN      6.0 	
        18 ASN	HB1	19 TYR	HN      6.0 	
        18 ASN	HB2	19 TYR	HN      6.0 	
	20 CYS  HB1	21 ASN  HN	5.1
	20 CYS  HB2	21 ASN  HN	5.1
                                           
       
         2 ILE	HA	 4 GLU 	HN      4.3 
         3 VAL	HA	 6 CYS 	HN      4.3
         3 VAL	MG1	 6 CYS 	HB1     7.0
         3 VAL	MG2	 6 CYS 	HB1     7.0
         4 GLU	HA	 7 CYS 	HN      4.3 
         4 GLU	HA	 8 THR 	HB      4.3 
         5 GLN	HN       7 CYS	HN      4.3 
         5 GLN	HA       8 THR	HN      4.3
         5 GLN	HA       8 THR	HB      4.3
         
         
        12 SER	HN      15 GLN	HB1     5.1 
        12 SER	HN      15 GLN	HB2     5.1 
        12 SER	HN      15 GLN	HN      4.3
        13 LEU	HA      16 LEU  HB1  	6.0
        13 LEU	HA      16 LEU  HB2  	6.0
        14 TYR	HA	17 GLU	HG1	4.4
        14 TYR	HA	17 GLU	HG2	4.4
        14 TYR	HA	17 GLU	HB1	4.4
        14 TYR	HA	17 GLU  HB2     4.4	
	15 GLN	HA	18 ASN	HB1	5.1
	15 GLN	HA	18 ASN	HB2	5.1
	15 GLN	HA	18 ASN	HN	4.3
	16 LEU  HA	19 TYR	HN	3.4
					
					
         6 CYS	HN      11 CYS	HB1     5.1 
         6 CYS	HN      11 CYS	HB2     5.1 
         6 CYS	HA      11 CYS	HB1     5.1 
         6 CYS	HA      11 CYS	HB2     5.1 
         7 CYS	HA	107 CYS	HB1     6.0 
         7 CYS	HB2     107 CYS	HB2     6.0 
     	
     	
         2 ILE	MD       19 TYR	HD2	4.4 
         2 ILE	HB       19 TYR	HE3     4.3 
         2 ILE	MG    	 19 TYR	CG1     6.5 
         2 ILE	MG    	 19 TYR	CZ4     6.5 
         2 ILE	HG2      19 TYR	HE3     4.3 
         2 ILE	MD       19 TYR	HE3     4.4 
         2 ILE	MD       19 TYR	HB2     5.3 
	 3 VAL  MG2	 19 TYR HD2	4.3
	 4 GLU  HA	  8 THR MG	5.3
	 7 CYS	HN	  8 THR MG	5.3
	10 ILE  MG	 11 CYS HN	5.3
	13 LEU	MD1	 14 TYR CG1	9.1
	13 LEU	MD2	 14 TYR CG1	9.1
	14 TYR	CG1	 15 GLN HA	6.4
	14 TYR	CZ4	 15 GLN HN	6.4
	14 TYR	CG1	 15 GLN HB1	8.1
	14 TYR	CG1	 15 GLN HB2	8.1
	15 GLN	HB1	 19 TYR HE3	6.0 	
	15 GLN	HB2	 19 TYR HE3	6.0 
	15 GLN  HA	 19 TYR CZ4	6.4
	16 LEU  HG	 19 TYR HB2	4.3
	16 LEU	HA	 19 TYR HD2	2.7
	16 LEU	HA	 19 TYR HE3	3.4
	16 LEU	MD1 	 19 TYR HB1	3.7
	16 LEU	MD2	 19 TYR HB1	3.7
	16 LEU	MD1	 19 TYR HD2	5.3
	16 LEU	MD1	 19 TYR HE3	5.3
	16 LEU	HN	 19 TYR HE3	3.4
		


       101 PHE	HA      102 VAL	HN      2.7
       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      3.4 
       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	113 GLU HN	4.3
       113 GLU	HA	114 ALA HN	4.3
       114 ALA  HA	115 LEU HN	4.3
       115 LEU  HA	116 TYR HN	4.3
       116 TYR  HA 	117 LEU HN	3.4
       117 LEU  HA	118 VAL HN	4.3
       118 VAL  HA	119 CYS HN	3.4
       119 CYS  HA	120 GLY HN	3.4
       120 GLY  HA1	121 GLU HN	4.3
       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 GLY HN	3.4
       123 GLY  HA2	124 GLY HN	3.4
       124 GLY  HA1	125 PHE HN	2.7
       124 GLY  HA2	125 PHE HN	2.7
       125 PHE  HA	126 TYR HN  	3.4
       126 TYR  HA	127 THR HN	2.7
       128 PRO  HA	129 LYS HN	3.4
       129 LYS  HA      130 THR HN	3.4
 			 	 												

       101 PHE	HB1     102 VAL	HN      5.1 
       101 PHE	HB2     102 VAL	HN      5.1 
       102 VAL	HB      103 ASN	HN      3.4
       103 ASN	HB1     104 GLN	HN      5.1 
       103 ASN	HB2     104 GLN	HN      5.1 
       104 GLN	HB2     105 HIS	HN      3.4 
       107 CYS	HB1     108 GLY	HN      6.0 
       107 CYS	HB2     108 GLY	HN      6.0 
       109 SER	HB1     110 HIS	HN      4.4 
       109 SER	HB2     110 HIS	HN      4.4 
       110 HIS	HB1     111 LEU	HN      6.0 
       110 HIS	HB2     111 LEU	HN      6.0 
       111 LEU	HB1     112 VAL	HN      4.3 
       111 LEU	HB2     112 VAL	HN      4.3 
       112 VAL	HB      113 GLU	HN      3.4 
       113 GLU	HB1     114 ALA	HN      6.0 
       113 GLU	HB2     114 ALA	HN      6.0 
       114 ALA	MB      115 LEU	HN      3.7
       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	HB2     118 VAL	HN      3.4 
       118 VAL	HB      119 CYS	HN      3.4
       119 CYS	HB2     120 GLY	HN      4.3 
       125 PHE  HB1	126 TYR HN	4.4
       125 PHE  HB2	126 TYR HN	4.4
       126 TYR  HB1	127 THR HN	5.1
       126 TYR  HB2     127 THR HN 	5.1
       128 PRO  HB1	129 LYS HN 	5.1
       128 PRO  HB2	129 LYS HN	5.1
       129 LYS  HB1	130 THR HN	6.0
       129 LYS  HB2	130 THR HN	6.0




       102 VAL	HN      103 ASN	HN      4.3 
       104 GLN	HN      105 HIS	HN      4.3 
       105 HIS	HN      106 LEU	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      3.4
       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      4.3
       117 LEU	HN      118 VAL	HN      3.4
       118 VAL	HN      119 CYS	HN      3.4
       119 CYS	HN      120 GLY	HN      3.4 
       120 GLY	HN      121 GLU	HN      3.4 
       122 ARG	HN      123 GLY	HN      3.4
            


       102 VAL	MG1     103 ASN	HN      6.1 
       102 VAL	MG2     103 ASN	HN      6.1 
       112 VAL	MG1     116 TYR	HN      7.0 
       112 VAL	MG2     116 TYR	HN      7.0 
       115 LEU	MD1     116 TYR	HN      6.1 
       115 LEU	MD2     116 TYR	HN      6.1 



       109 SER	HA      112 VAL	HN      3.4
       109 SER	HN      112 VAL	MG2     5.3 	
       110 HIS	HA      113 GLU	HN      4.3 
       110 HIS	HA      113 GLU	HG1     6.0 
       110 HIS	HA      113 GLU	HG2     6.0 
       110 HIS	HA      113 GLU	HB1     5.1 
       110 HIS	HA      113 GLU	HB2     5.1 
       111 LEU	HA      114 ALA	HN	4.3 
       111 LEU	HA      114 ALA	MB      4.4 
       112 VAL	HA      115 LEU	MD1     7.0 
       112 VAL	HA      115 LEU	MD2     7.0 
       112 VAL	HA      115 LEU	HB1     5.1 
       112 VAL	HA      115 LEU	HB2     5.1 
       112 VAL  HA	115 LEU HG	3.4
       113 GLU  HA      116 TYR HN	4.3
       113 GLU  HA	116 TYR HB2	3.4
       114 ALA  HA 	117 LEU HB1	3.4
       114 ALA  HA	117 LEU HB2	3.4
       114 ALA  HA 	117 LEU HN	3.4
       115 LEU  HA	118 VAL HN	3.4
       115 LEU  HA	118 VAL HB 	3.4
       116 TYR  HA	119 CYS HB2	4.3
 



       101 PHE	CZ4     103 ASN	HB1     8.1 
       101 PHE	CZ4     103 ASN	HB2     8.1 
       101 PHE  HE5	103 ASN HA	4.3
       106 LEU  MD1     111 LEU HA	7.0
       106 LEU  MD2	111 LEU HA	7.0
       107 CYS	HN 	110 HIS HB1	4.3
       107 CYS  HN	110 HIS HB2	4.3
       112 VAL  MG1	116 TYR HD6	3.7
       112 VAL  MG1	116 TYR HE5	5.4
       112 VAL  MG2	116 TYR HE5	5.4
       112 VAL  HB  	116 TYR HE5	4.3
       113 GLU  HB2	116 TYR HD2	4.3
       113 GLU  HB2	116 TYR HE3	4.3
       113 GLU  HA	116 TYR HD2	3.4
       115 LEU  HA	119 CYS HN	4.3
       116 TYR  HE3	120 GLY HA2	4.3  
       116 TYR  HD2	117 LEU HG	4.3
       116 TYR  CG1 	117 LEU HN	5.5
       118 VAL  MG1 	119 CYS HN	6.1
       118 VAL  MG2	119 CYS HN	6.1
       118 VAL  MG1	119 CYS HA	7.0
       118 VAL  MG2	119 CYS HA	7.0
       124 GLY  HA1	125 PHE CG1	6.4
       124 GLY  HA2	125 PHE CG1	6.4
       127 THR  HA	128 PRO HD1	4.4
       127 THR  HA	128 PRO HD2	4.4
       127 THR  MG	128 PRO HD1	5.4
       127 THR  MG      128 PRO HD2	5.4
  


         3 VAL	HA      111 LEU	MD1     7.0 
         3 VAL	HA      111 LEU	MD2     7.0 
         6 CYS	HB1     111 LEU	MD1     7.0 
         6 CYS	HB2     111 LEU	MD1     7.0 
         6 CYS	HB1     111 LEU	MD2     7.0 
         6 CYS	HB2     111 LEU	MD2     7.0 
         6 CYS	HB1     106 LEU	MD1     7.0 
         6 CYS	HB2     106 LEU	MD1     7.0 
         6 CYS	HB1     106 LEU	MD2     7.9 
         6 CYS	HB2     106 LEU	MD2     7.9 
         7 CYS	HA      106 LEU	HN      4.3 
         7 CYS	HA      105 HIS	HA      4.3
         7 CYS	HA      105 HIS	HB2     4.3 
         9 SER	HN      105 HIS	HE2     4.3 
        10 ILE	MG      104 GLN	HN      4.4 
        10 ILE	HG1     105 HIS	HE2     5.1 
        10 ILE	HG2     105 HIS	HE2     5.1 
        10 ILE	MD      105 HIS	HE2     4.4 
        10 ILE	MD      105 HIS	HD4     5.3 
        10 ILE	MD      103 ASN	HA      5.3 
        10 ILE	MD      105 HIS	HA      4.4 
        10 ILE	MD      104 GLN	HA      5.3 
        10 ILE	MG      104 GLN	HA      5.3 
        10 ILE	MG      105 HIS	HA      5.3 
        10 ILE	MG      103 ASN	HB1     5.4 
        10 ILE	MG      103 ASN	HB2     5.4 
        10 ILE	MD      103 ASN	HB1     7.0
        10 ILE	MD      103 ASN	HB2     7.0
        16 LEU  HA	115 LEU MD1	6.1
        16 LEU  HA      115 LEU MD2	6.1
        14 TYR  HA	118 VAL MG1     6.1
        14 TYR  HA      118 VAL MG2	6.1
        19 TYR  HB1	115 LEU MD1	6.1
        19 TYR  HB2	115 LEU MD1	6.1
        19 TYR  HB1	115 LEU MD2	6.1
        19 TYR  HB2     115 LEU MD2     6.1
 
        
  Entry H atom name         Orig H atom name
 Raw file had 381 H/Q atoms
  Start of MODEL    0
    1   1H    GLY   1           HT1      GLY   1  -7.117  11.748  -5.107
    2   2H    GLY   1           HT3      GLY   1  -6.780  12.836  -3.851
    3   3H    GLY   1           HT2      GLY   1  -6.342  13.218  -5.445
    4   1HA   GLY   1           HA1      GLY   1  -4.379  12.317  -5.167
    5   2HA   GLY   1           HA2      GLY   1  -4.816  11.901  -3.510
    6    H    ILE   2           HN       ILE   2  -3.200  10.180  -4.531
    7    HA   ILE   2           HA       ILE   2  -4.758   7.910  -5.692
    8    HB   ILE   2           HB       ILE   2  -2.768   7.034  -6.601
    9   1HG1  ILE   2          HG12      ILE   2  -1.242   7.198  -4.640
   10   2HG1  ILE   2          HG11      ILE   2  -0.455   7.766  -6.095
   11   1HG2  ILE   2          HG22      ILE   2  -3.504   9.007  -7.840
   12   2HG2  ILE   2          HG21      ILE   2  -2.509  10.050  -6.840
   13   3HG2  ILE   2          HG23      ILE   2  -1.755   8.881  -7.908
   14   1HD1  ILE   2           HD2      ILE   2  -0.878  10.110  -5.370
   15   2HD1  ILE   2           HD1      ILE   2  -1.631   9.514  -3.904
   16   3HD1  ILE   2           HD3      ILE   2   0.062   9.210  -4.202
   17    H    VAL   3           HN       VAL   3  -3.154   8.991  -2.934
   18    HA   VAL   3           HA       VAL   3  -2.940   6.296  -1.706
   19    HB   VAL   3           HB       VAL   3  -1.211   8.348  -1.718
   20   1HG1  VAL   3          HG12      VAL   3  -2.644  10.041  -0.711
   21   2HG1  VAL   3          HG11      VAL   3  -2.830   9.072   0.744
   22   3HG1  VAL   3          HG13      VAL   3  -1.262   9.729   0.321
   23   1HG2  VAL   3          HG21      VAL   3  -0.755   6.165  -0.705
   24   2HG2  VAL   3          HG23      VAL   3  -0.191   7.444   0.357
   25   3HG2  VAL   3          HG22      VAL   3  -1.690   6.601   0.717
   26    H    GLU   4           HN       GLU   4  -4.511   9.335  -1.619
   27    HA   GLU   4           HA       GLU   4  -6.235   8.838   0.728
   28   1HB   GLU   4           HB1      GLU   4  -5.599  11.159  -0.052
   29   2HB   GLU   4           HB2      GLU   4  -6.470  10.890  -1.548
   30   1HG   GLU   4           HG2      GLU   4  -7.802  12.182   0.180
   31   2HG   GLU   4           HG1      GLU   4  -8.614  10.713  -0.318
   32    H    GLN   5           HN       GLN   5  -6.202   8.168  -2.662
   33    HA   GLN   5           HA       GLN   5  -8.898   7.704  -3.229
   34   1HB   GLN   5           HB1      GLN   5  -6.968   7.511  -4.850
   35   2HB   GLN   5           HB2      GLN   5  -6.487   6.015  -4.105
   36   1HG   GLN   5           HG2      GLN   5  -7.742   5.440  -6.083
   37   2HG   GLN   5           HG1      GLN   5  -8.776   5.056  -4.718
   38   1HE2  GLN   5          HE21      GLN   5 -10.076   7.622  -7.489
   39   2HE2  GLN   5          HE22      GLN   5  -8.714   6.627  -7.684
   40    H    CYS   6           HN       CYS   6  -6.572   5.254  -2.292
   41    HA   CYS   6           HA       CYS   6  -8.320   3.145  -1.655
   42   1HB   CYS   6           HB1      CYS   6  -5.609   3.783  -0.544
   43   2HB   CYS   6           HB2      CYS   6  -6.376   2.224  -0.379
   44    H    CYS   7           HN       CYS   7  -7.971   5.955   0.203
   45    HA   CYS   7           HA       CYS   7  -8.848   4.582   2.711
   46   1HB   CYS   7           HB1      CYS   7  -6.896   5.980   2.978
   47   2HB   CYS   7           HB2      CYS   7  -7.692   7.323   2.207
   48    H    THR   8           HN       THR   8  -9.716   7.105   0.463
   49    HA   THR   8           HA       THR   8 -12.127   7.895   1.872
   50    HB   THR   8           HB       THR   8 -10.571   9.394   0.370
   51    HG1  THR   8           HG1      THR   8 -13.269   9.202   0.689
   52   1HG2  THR   8          HG21      THR   8 -12.291   8.149  -1.844
   53   2HG2  THR   8          HG23      THR   8 -11.187   9.497  -2.018
   54   3HG2  THR   8          HG22      THR   8 -10.562   7.894  -1.690
   55    H    SER   9           HN       SER   9 -11.310   5.971  -0.963
   56    HA   SER   9           HA       SER   9 -13.992   4.706  -1.033
   57   1HB   SER   9           HB1      SER   9 -12.238   5.558  -3.400
   58   2HB   SER   9           HB2      SER   9 -13.761   4.663  -3.526
   59    HG   SER   9           HG1      SER   9 -14.141   6.731  -1.887
   60    H    ILE  10           HN       ILE  10 -13.264   2.822  -2.972
   61    HA   ILE  10           HA       ILE  10 -11.218   1.164  -1.523
   62    HB   ILE  10           HB       ILE  10 -13.184   0.174  -3.653
   63   1HG1  ILE  10          HG12      ILE  10 -14.613   1.229  -1.921
   64   2HG1  ILE  10          HG11      ILE  10 -14.786  -0.507  -1.899
   65   1HG2  ILE  10          HG22      ILE  10 -11.321  -1.351  -3.015
   66   2HG2  ILE  10          HG21      ILE  10 -11.801  -1.261  -1.334
   67   3HG2  ILE  10          HG23      ILE  10 -12.867  -2.010  -2.515
   68   1HD1  ILE  10           HD1      ILE  10 -13.050   1.074   0.041
   69   2HD1  ILE  10           HD3      ILE  10 -14.630   0.393   0.393
   70   3HD1  ILE  10           HD2      ILE  10 -13.283  -0.669   0.052
   71    H    CYS  11           HN       CYS  11  -9.547   0.216  -2.923
   72    HA   CYS  11           HA       CYS  11  -9.342   1.476  -5.641
   73   1HB   CYS  11           HB1      CYS  11  -7.005   1.892  -5.287
   74   2HB   CYS  11           HB2      CYS  11  -7.925   2.631  -4.018
   75    H    SER  12           HN       SER  12  -6.989   0.417  -6.464
   76    HA   SER  12           HA       SER  12  -7.654  -2.455  -6.858
   77   1HB   SER  12           HB1      SER  12  -6.441  -2.249  -9.000
   78   2HB   SER  12           HB2      SER  12  -7.526  -0.858  -8.900
   79    HG   SER  12           HG1      SER  12  -4.844  -0.891  -8.950
   80    H    LEU  13           HN       LEU  13  -5.438  -3.423  -7.741
   81    HA   LEU  13           HA       LEU  13  -3.530  -3.328  -5.438
   82   1HB   LEU  13           HB1      LEU  13  -3.817  -5.550  -7.492
   83   2HB   LEU  13           HB2      LEU  13  -3.036  -5.644  -5.925
   84    HG   LEU  13           HG       LEU  13  -6.034  -5.240  -6.353
   85   1HD1  LEU  13          HD12      LEU  13  -5.264  -7.514  -6.996
   86   2HD1  LEU  13          HD11      LEU  13  -4.505  -7.696  -5.418
   87   3HD1  LEU  13          HD13      LEU  13  -6.254  -7.551  -5.547
   88   1HD2  LEU  13          HD22      LEU  13  -4.437  -5.753  -3.796
   89   2HD2  LEU  13          HD21      LEU  13  -5.218  -4.234  -4.212
   90   3HD2  LEU  13          HD23      LEU  13  -6.186  -5.662  -3.912
   91    OH   TYR  14           OH       TYR  14   1.785  -1.030 -14.294
   92    H    TYR  14           HN       TYR  14  -3.751  -1.814  -8.206
   93    HA   TYR  14           HA       TYR  14  -0.972  -2.377  -9.141
   94   1HB   TYR  14           HB1      TYR  14  -2.948  -2.604 -10.765
   95   2HB   TYR  14           HB2      TYR  14  -3.149  -0.862 -10.643
   96    HD1  TYR  14           HD1      TYR  14  -0.974   0.591 -11.104
   97    HD2  TYR  14           HD2      TYR  14  -1.393  -3.495 -12.258
   98    HE1  TYR  14           HE1      TYR  14   0.849   0.852 -12.710
   99    HE2  TYR  14           HE2      TYR  14   0.430  -3.219 -13.860
  100    HH   TYR  14           HH       TYR  14   2.223  -0.191 -14.136
  101    H    GLN  15           HN       GLN  15  -3.264   0.224  -8.538
  102    HA   GLN  15           HA       GLN  15  -1.735   2.507  -8.833
  103   1HB   GLN  15           HB1      GLN  15  -3.774   1.848  -6.655
  104   2HB   GLN  15           HB2      GLN  15  -3.169   3.470  -6.938
  105   1HG   GLN  15           HG2      GLN  15  -3.993   3.405  -9.263
  106   2HG   GLN  15           HG1      GLN  15  -4.504   1.735  -9.074
  107   1HE2  GLN  15          HE21      GLN  15  -7.533   2.523  -7.544
  108   2HE2  GLN  15          HE22      GLN  15  -6.447   1.340  -8.120
  109    H    LEU  16           HN       LEU  16  -2.137   1.373  -5.468
  110    HA   LEU  16           HA       LEU  16   0.243   2.584  -4.588
  111   1HB   LEU  16           HB1      LEU  16  -1.664   0.645  -3.434
  112   2HB   LEU  16           HB2      LEU  16  -0.057   0.528  -2.743
  113    HG   LEU  16           HG       LEU  16  -0.138   3.149  -2.609
  114   1HD1  LEU  16          HD12      LEU  16  -2.202   3.379  -4.047
  115   2HD1  LEU  16          HD11      LEU  16  -3.089   2.505  -2.827
  116   3HD1  LEU  16          HD13      LEU  16  -2.417   4.086  -2.454
  117   1HD2  LEU  16          HD21      LEU  16  -0.200   1.699  -0.647
  118   2HD2  LEU  16          HD23      LEU  16  -1.246   3.094  -0.463
  119   3HD2  LEU  16          HD22      LEU  16  -1.926   1.521  -0.842
  120    H    GLU  17           HN       GLU  17   0.017  -0.303  -6.342
  121    HA   GLU  17           HA       GLU  17   2.395  -1.604  -5.348
  122   1HB   GLU  17           HB1      GLU  17   1.073  -3.115  -6.521
  123   2HB   GLU  17           HB2      GLU  17   0.420  -1.925  -7.574
  124   1HG   GLU  17           HG2      GLU  17   3.275  -2.797  -8.040
  125   2HG   GLU  17           HG1      GLU  17   1.984  -3.904  -8.433
  126    H    ASN  18           HN       ASN  18   1.830   1.172  -7.111
  127    HA   ASN  18           HA       ASN  18   4.601   1.362  -8.173
  128   1HB   ASN  18           HB1      ASN  18   2.670   1.475  -9.866
  129   2HB   ASN  18           HB2      ASN  18   2.103   2.911  -9.042
  130   1HD2  ASN  18          HD21      ASN  18   4.205   4.918 -10.995
  131   2HD2  ASN  18          HD22      ASN  18   2.714   4.721 -10.209
  132    OH   TYR  19           OH       TYR  19  -1.870   5.354  -8.236
  133    H    TYR  19           HN       TYR  19   2.786   2.222  -5.564
  134    HA   TYR  19           HA       TYR  19   4.043   4.932  -5.300
  135   1HB   TYR  19           HB1      TYR  19   1.681   3.900  -3.562
  136   2HB   TYR  19           HB2      TYR  19   2.276   5.548  -3.735
  137    HD1  TYR  19           HD1      TYR  19   2.478   5.198  -7.010
  138    HD2  TYR  19           HD2      TYR  19  -0.475   4.614  -4.014
  139    HE1  TYR  19           HE1      TYR  19   0.716   5.487  -8.680
  140    HE2  TYR  19           HE2      TYR  19  -2.204   4.835  -5.639
  141    HH   TYR  19           HH       TYR  19  -2.720   5.259  -7.799
  142    H    CYS  20           HN       CYS  20   5.518   2.510  -4.839
  143    HA   CYS  20           HA       CYS  20   6.102   2.828  -1.922
  144   1HB   CYS  20           HB1      CYS  20   6.765   0.428  -1.905
  145   2HB   CYS  20           HB2      CYS  20   5.082   0.724  -2.111
  146    H    ASN  21           HN       ASN  21   7.322   4.475  -3.198
  147    HA   ASN  21           HA       ASN  21  10.127   3.529  -3.565
  148   1HB   ASN  21           HB1      ASN  21  10.279   5.410  -5.323
  149   2HB   ASN  21           HB2      ASN  21   9.337   3.999  -5.786
  150   1HD2  ASN  21          HD21      ASN  21   6.422   5.855  -6.303
  151   2HD2  ASN  21          HD22      ASN  21   7.294   4.419  -6.547
  152   1H    PHE   1           HT1      PHE  22 -10.181 -11.316  -0.769
  153   2H    PHE   1           HT3      PHE  22  -9.883 -11.398  -2.436
  154   3H    PHE   1           HT2      PHE  22  -8.587 -11.431  -1.338
  155    HA   PHE   1           HA       PHE  22  -8.424  -9.251  -1.374
  156   1HB   PHE   1           HB1      PHE  22  -9.215  -9.537  -3.735
  157   2HB   PHE   1           HB2      PHE  22 -10.877  -9.380  -3.209
  158    HD1  PHE   1           HD2      PHE  22  -7.904  -7.289  -2.164
  159    HD2  PHE   1           HD1      PHE  22 -11.615  -7.419  -4.265
  160    HE1  PHE   1           HE2      PHE  22  -7.809  -4.866  -2.486
  161    HE2  PHE   1           HE1      PHE  22 -11.503  -4.995  -4.588
  162    HZ   PHE   1           HZ       PHE  22  -9.606  -3.711  -3.703
  163    H    VAL   2           HN       VAL  23  -9.440  -7.192  -0.693
  164    HA   VAL   2           HA       VAL  23 -11.770  -7.567   1.125
  165    HB   VAL   2           HB       VAL  23 -10.640  -5.924   2.656
  166   1HG1  VAL   2          HG12      VAL  23 -10.230  -8.377   3.000
  167   2HG1  VAL   2          HG11      VAL  23  -8.835  -8.284   1.937
  168   3HG1  VAL   2          HG13      VAL  23  -8.833  -7.423   3.465
  169   1HG2  VAL   2          HG22      VAL  23  -8.280  -6.132   0.713
  170   2HG2  VAL   2          HG21      VAL  23  -9.278  -4.706   0.945
  171   3HG2  VAL   2          HG23      VAL  23  -8.273  -5.293   2.254
  172    H    ASN   3           HN       ASN  24 -13.111  -5.879   1.261
  173    HA   ASN   3           HA       ASN  24 -12.908  -3.670  -0.772
  174   1HB   ASN   3           HB1      ASN  24 -15.388  -5.244   0.078
  175   2HB   ASN   3           HB2      ASN  24 -15.396  -3.884  -1.023
  176   1HD2  ASN   3          HD21      ASN  24 -13.208  -6.300  -3.177
  177   2HD2  ASN   3          HD22      ASN  24 -12.637  -5.112  -2.110
  178    H    GLN   4           HN       GLN  25 -11.848  -3.121   1.497
  179    HA   GLN   4           HA       GLN  25 -13.820  -1.473   3.009
  180   1HB   GLN   4           HB1      GLN  25 -12.727  -3.584   4.162
  181   2HB   GLN   4           HB2      GLN  25 -11.246  -2.659   4.132
  182   1HG   GLN   4           HG2      GLN  25 -12.484  -0.825   5.493
  183   2HG   GLN   4           HG1      GLN  25 -13.812  -1.956   5.604
  184   1HE2  GLN   4          HE21      GLN  25 -10.547  -2.303   7.935
  185   2HE2  GLN   4          HE22      GLN  25 -10.722  -1.068   6.782
  186    H    HIS   5           HN       HIS  26 -12.295   0.198   4.264
  187    HA   HIS   5           HA       HIS  26 -10.703   1.641   2.228
  188   1HB   HIS   5           HB1      HIS  26 -11.902   2.546   4.891
  189   2HB   HIS   5           HB2      HIS  26 -11.039   3.591   3.776
  190    HD1  HIS   5           HD1      HIS  26 -12.302   3.348   1.231
  191    HD2  HIS   5           HD2      HIS  26 -14.582   2.758   4.563
  192    HE1  HIS   5           HE1      HIS  26 -14.646   3.661   0.533
  193    H    LEU   6           HN       LEU  27  -8.667   1.973   2.613
  194    HA   LEU   6           HA       LEU  27  -7.351   0.892   5.082
  195   1HB   LEU   6           HB1      LEU  27  -5.929   1.216   2.412
  196   2HB   LEU   6           HB2      LEU  27  -5.505   0.168   3.741
  197    HG   LEU   6           HG       LEU  27  -7.860  -0.209   1.835
  198   1HD1  LEU   6          HD11      LEU  27  -5.266  -1.770   2.173
  199   2HD1  LEU   6          HD13      LEU  27  -6.577  -2.198   1.085
  200   3HD1  LEU   6          HD12      LEU  27  -5.670  -0.718   0.826
  201   1HD2  LEU   6          HD22      LEU  27  -6.950  -2.034   4.111
  202   2HD2  LEU   6          HD21      LEU  27  -8.446  -1.117   4.094
  203   3HD2  LEU   6          HD23      LEU  27  -8.206  -2.409   2.942
  204    H    CYS   7           HN       CYS  28  -6.511   2.533   6.266
  205    HA   CYS   7           HA       CYS  28  -5.611   5.000   4.830
  206   1HB   CYS   7           HB1      CYS  28  -7.082   4.915   7.463
  207   2HB   CYS   7           HB2      CYS  28  -6.541   6.346   6.628
  208    H    GLY   8           HN       GLY  29  -4.389   6.435   6.171
  209   1HA   GLY   8           HA1      GLY  29  -1.944   6.314   6.654
  210   2HA   GLY   8           HA2      GLY  29  -2.867   6.860   8.030
  211    H    SER   9           HN       SER  30  -1.355   4.065   6.603
  212    HA   SER   9           HA       SER  30   0.333   2.976   8.236
  213   1HB   SER   9           HB1      SER  30  -0.857   1.423   9.918
  214   2HB   SER   9           HB2      SER  30  -1.099   3.109  10.341
  215    HG   SER   9           HG1      SER  30  -3.027   2.545   8.646
  216    H    HIS  10           HN       HIS  31  -2.816   1.739   7.463
  217    HA   HIS  10           HA       HIS  31  -1.925  -0.836   6.552
  218   1HB   HIS  10           HB1      HIS  31  -4.470   0.779   6.093
  219   2HB   HIS  10           HB2      HIS  31  -4.242  -0.799   5.332
  220    HD1  HIS  10           HD1      HIS  31  -3.639   0.450   8.868
  221    HD2  HIS  10           HD2      HIS  31  -5.290  -2.751   6.941
  222    HE1  HIS  10           HE1      HIS  31  -4.423  -1.087  10.621
  223    H    LEU  11           HN       LEU  32  -2.623   2.223   5.017
  224    HA   LEU  11           HA       LEU  32  -2.131   1.580   2.320
  225   1HB   LEU  11           HB1      LEU  32  -1.559   4.148   3.877
  226   2HB   LEU  11           HB2      LEU  32  -1.432   4.052   2.132
  227    HG   LEU  11           HG       LEU  32  -3.981   3.404   3.690
  228   1HD1  LEU  11          HD11      LEU  32  -3.220   5.905   2.124
  229   2HD1  LEU  11          HD13      LEU  32  -4.792   5.591   2.832
  230   3HD1  LEU  11          HD12      LEU  32  -3.397   5.820   3.871
  231   1HD2  LEU  11          HD22      LEU  32  -3.490   3.880   0.703
  232   2HD2  LEU  11          HD21      LEU  32  -3.828   2.311   1.415
  233   3HD2  LEU  11          HD23      LEU  32  -5.044   3.564   1.452
  234    H    VAL  12           HN       VAL  33   0.182   2.709   4.804
  235    HA   VAL  12           HA       VAL  33   2.465   2.607   3.102
  236    HB   VAL  12           HB       VAL  33   2.641   1.781   6.049
  237   1HG1  VAL  12          HG11      VAL  33   4.438   3.396   4.194
  238   2HG1  VAL  12          HG13      VAL  33   4.823   2.986   5.857
  239   3HG1  VAL  12          HG12      VAL  33   4.674   1.728   4.648
  240   1HG2  VAL  12          HG22      VAL  33   2.353   4.641   5.057
  241   2HG2  VAL  12          HG21      VAL  33   1.170   3.779   6.028
  242   3HG2  VAL  12          HG23      VAL  33   2.738   4.168   6.705
  243    H    GLU  13           HN       GLU  34   1.169   0.078   5.287
  244    HA   GLU  13           HA       GLU  34   3.068  -1.825   4.114
  245   1HB   GLU  13           HB1      GLU  34   2.021  -3.473   5.646
  246   2HB   GLU  13           HB2      GLU  34   2.610  -2.037   6.428
  247   1HG   GLU  13           HG2      GLU  34   0.116  -1.164   6.096
  248   2HG   GLU  13           HG1      GLU  34  -0.264  -2.830   5.738
  249    H    ALA  14           HN       ALA  35   1.061  -0.654   2.399
  250    HA   ALA  14           HA       ALA  35  -0.211  -3.139   1.337
  251   1HB   ALA  14           HB1      ALA  35  -0.989  -0.172   0.839
  252   2HB   ALA  14           HB3      ALA  35  -1.818  -1.557   0.169
  253   3HB   ALA  14           HB2      ALA  35  -1.897  -1.242   1.894
  254    H    LEU  15           HN       LEU  36   1.081   0.013   0.559
  255    HA   LEU  15           HA       LEU  36   2.054  -0.793  -2.035
  256   1HB   LEU  15           HB1      LEU  36   3.273   1.505  -1.872
  257   2HB   LEU  15           HB2      LEU  36   1.580   1.611  -1.621
  258    HG   LEU  15           HG       LEU  36   2.414   1.370   0.977
  259   1HD1  LEU  15          HD12      LEU  36   4.843   1.184   0.365
  260   2HD1  LEU  15          HD11      LEU  36   4.719   2.728  -0.434
  261   3HD1  LEU  15          HD13      LEU  36   4.500   2.622   1.296
  262   1HD2  LEU  15          HD22      LEU  36   2.502   3.947  -0.647
  263   2HD2  LEU  15          HD21      LEU  36   1.068   3.264   0.091
  264   3HD2  LEU  15          HD23      LEU  36   2.372   3.847   1.100
  265    OH   TYR  16           OH       TYR  37   4.845  -3.233   7.551
  266    H    TYR  16           HN       TYR  37   3.542  -0.489   1.195
  267    HA   TYR  16           HA       TYR  37   6.123  -1.365   0.224
  268   1HB   TYR  16           HB1      TYR  37   6.858  -0.817   2.305
  269   2HB   TYR  16           HB2      TYR  37   5.359   0.022   2.401
  270    HD1  TYR  16           HD2      TYR  37   5.009  -3.726   3.153
  271    HD2  TYR  16           HD1      TYR  37   5.863   0.144   4.726
  272    HE1  TYR  16           HE2      TYR  37   4.699  -4.578   5.229
  273    HE2  TYR  16           HE1      TYR  37   5.475  -0.725   6.949
  274    HH   TYR  16           HH       TYR  37   4.808  -4.189   7.476
  275    H    LEU  17           HN       LEU  38   3.182  -2.964   0.618
  276    HA   LEU  17           HA       LEU  38   4.334  -5.492   1.595
  277   1HB   LEU  17           HB1      LEU  38   1.834  -4.566   1.740
  278   2HB   LEU  17           HB2      LEU  38   1.670  -5.228   0.140
  279    HG   LEU  17           HG       LEU  38   2.757  -6.929   2.425
  280   1HD1  LEU  17          HD11      LEU  38  -0.161  -6.663   1.576
  281   2HD1  LEU  17          HD13      LEU  38   0.473  -7.839   2.720
  282   3HD1  LEU  17          HD12      LEU  38   0.507  -6.131   3.116
  283   1HD2  LEU  17          HD22      LEU  38   1.352  -7.663  -0.192
  284   2HD2  LEU  17          HD21      LEU  38   3.073  -7.839   0.122
  285   3HD2  LEU  17          HD23      LEU  38   1.917  -8.803   1.015
  286    H    VAL  18           HN       VAL  39   3.033  -4.038  -1.372
  287    HA   VAL  18           HA       VAL  39   3.730  -6.107  -3.192
  288    HB   VAL  18           HB       VAL  39   3.808  -3.073  -3.705
  289   1HG1  VAL  18          HG12      VAL  39   4.859  -4.468  -5.515
  290   2HG1  VAL  18          HG11      VAL  39   3.372  -5.398  -5.645
  291   3HG1  VAL  18          HG13      VAL  39   3.386  -3.693  -6.056
  292   1HG2  VAL  18          HG22      VAL  39   1.523  -5.089  -3.947
  293   2HG2  VAL  18          HG21      VAL  39   1.629  -3.795  -2.766
  294   3HG2  VAL  18          HG23      VAL  39   1.442  -3.412  -4.463
  295    H    CYS  19           HN       CYS  40   5.450  -3.432  -1.867
  296    HA   CYS  19           HA       CYS  40   8.096  -4.390  -2.874
  297   1HB   CYS  19           HB1      CYS  40   7.197  -1.750  -1.658
  298   2HB   CYS  19           HB2      CYS  40   8.855  -2.137  -1.975
  299    H    GLY  20           HN       GLY  41   6.844  -5.843  -0.925
  300   1HA   GLY  20           HA1      GLY  41   8.383  -5.272   1.595
  301   2HA   GLY  20           HA2      GLY  41   6.806  -6.043   1.639
  302    H    GLU  21           HN       GLU  42   9.569  -6.338  -0.380
  303    HA   GLU  21           HA       GLU  42  10.671  -8.198  -1.308
  304   1HB   GLU  21           HB1      GLU  42  11.079  -8.553   1.702
  305   2HB   GLU  21           HB2      GLU  42  12.154  -9.153   0.455
  306   1HG   GLU  21           HG2      GLU  42  13.119  -7.104   1.313
  307   2HG   GLU  21           HG1      GLU  42  12.553  -6.787  -0.313
  308    NH1  ARG  22           NH2      ARG  43  10.946 -16.799   1.621
  309    NH2  ARG  22           NH1      ARG  43  12.480 -17.821   0.260
  310    H    ARG  22           HN       ARG  43  11.147 -10.700   0.295
  311    HA   ARG  22           HA       ARG  43   8.578 -12.109  -0.366
  312   1HB   ARG  22           HB1      ARG  43  10.725 -12.716  -1.662
  313   2HB   ARG  22           HB2      ARG  43  11.399 -13.269  -0.144
  314   1HG   ARG  22           HG2      ARG  43   9.236 -14.794   0.008
  315   2HG   ARG  22           HG1      ARG  43   9.025 -14.391  -1.680
  316   1HD   ARG  22           HD2      ARG  43  10.262 -16.518  -1.460
  317   2HD   ARG  22           HD1      ARG  43  11.297 -15.286  -2.180
  318    HE   ARG  22           HE       ARG  43  12.410 -15.025   0.007
  319   1HH1  ARG  22          HH22      ARG  43  10.417 -15.975   1.819
  320   2HH1  ARG  22          HH21      ARG  43  10.878 -17.605   2.210
  321   1HH2  ARG  22          HH12      ARG  43  13.069 -17.776  -0.547
  322   2HH2  ARG  22          HH11      ARG  43  12.465 -18.647   0.823
  323    H    GLY  23           HN       GLY  44   8.636 -10.754   1.917
  324   1HA   GLY  23           HA1      GLY  44   7.656 -11.750   4.016
  325   2HA   GLY  23           HA2      GLY  44   9.118 -12.734   4.097
  326    H    GLY  24           HN       GLY  45   8.877  -9.448   3.102
  327   1HA   GLY  24           HA1      GLY  45  10.328  -8.430   5.509
  328   2HA   GLY  24           HA2      GLY  45  10.846  -7.992   3.876
  329    H    PHE  25           HN       PHE  46  10.265  -5.874   5.229
  330    HA   PHE  25           HA       PHE  46   7.494  -5.089   4.434
  331   1HB   PHE  25           HB1      PHE  46   7.268  -3.784   6.473
  332   2HB   PHE  25           HB2      PHE  46   7.724  -5.407   6.924
  333    HD1  PHE  25           HD1      PHE  46  10.475  -5.697   7.122
  334    HD2  PHE  25           HD2      PHE  46   8.288  -2.062   7.564
  335    HE1  PHE  25           HE1      PHE  46  12.316  -4.735   8.419
  336    HE2  PHE  25           HE2      PHE  46  10.130  -1.110   8.861
  337    HZ   PHE  25           HZ       PHE  46  12.152  -2.441   9.294
  338    OH   TYR  26           OH       TYR  47  11.411   4.223   3.055
  339    H    TYR  26           HN       TYR  47  10.576  -3.831   5.344
  340    HA   TYR  26           HA       TYR  47  10.442  -1.770   3.178
  341   1HB   TYR  26           HB1      TYR  47  10.010  -1.069   5.706
  342   2HB   TYR  26           HB2      TYR  47  11.744  -1.236   5.874
  343    HD1  TYR  26           HD2      TYR  47   9.066   0.502   4.036
  344    HD2  TYR  26           HD1      TYR  47  13.208   0.560   5.028
  345    HE1  TYR  26           HE2      TYR  47   9.246   2.762   3.127
  346    HE2  TYR  26           HE1      TYR  47  13.376   2.833   4.124
  347    HH   TYR  26           HH       TYR  47  12.096   4.684   3.543
  348    H    THR  27           HN       THR  48  12.747  -0.855   2.870
  349    HA   THR  27           HA       THR  48  14.760  -3.051   3.123
  350    HB   THR  27           HB       THR  48  13.939  -1.594   0.554
  351    HG1  THR  27           HG1      THR  48  12.851  -3.335   0.451
  352   1HG2  THR  27          HG21      THR  48  16.149  -3.686   1.004
  353   2HG2  THR  27          HG23      THR  48  15.685  -2.985  -0.538
  354   3HG2  THR  27          HG22      THR  48  16.494  -1.998   0.663
  355    HA   PRO  28           HA       PRO  49  17.679   0.441   2.028
  356   1HB   PRO  28           HB1      PRO  49  16.888   3.075   1.903
  357   2HB   PRO  28           HB2      PRO  49  16.830   1.982   0.527
  358   1HG   PRO  28           HG2      PRO  49  14.561   2.592   2.489
  359   2HG   PRO  28           HG1      PRO  49  14.530   2.689   0.729
  360   1HD   PRO  28           HD1      PRO  49  13.613   0.450   1.889
  361   2HD   PRO  28           HD2      PRO  49  14.698   0.303   0.481
  362    H    LYS  29           HN       LYS  50  15.371   1.982   4.124
  363    HA   LYS  29           HA       LYS  50  17.474   2.227   6.265
  364   1HB   LYS  29           HB1      LYS  50  14.919   3.899   6.063
  365   2HB   LYS  29           HB2      LYS  50  16.220   4.117   7.199
  366   1HG   LYS  29           HG2      LYS  50  16.803   5.776   5.706
  367   2HG   LYS  29           HG1      LYS  50  17.741   4.451   5.062
  368   1HD   LYS  29           HD2      LYS  50  16.653   5.508   3.191
  369   2HD   LYS  29           HD1      LYS  50  15.840   3.984   3.443
  370   1HE   LYS  29           HE2      LYS  50  14.019   5.162   4.709
  371   2HE   LYS  29           HE1      LYS  50  14.838   6.689   4.422
  372   1HZ   LYS  29           HZ1      LYS  50  14.582   5.372   1.983
  373   2HZ   LYS  29           HZ3      LYS  50  13.086   5.298   2.777
  374   3HZ   LYS  29           HZ2      LYS  50  13.819   6.805   2.503
  375    H    THR  30           HN       THR  51  15.997   2.643   8.451
  376    HA   THR  30           HA       THR  51  14.239   0.227   8.734
  377    HB   THR  30           HB       THR  51  16.431  -0.140   9.887
  378    HG1  THR  30           HG1      THR  51  14.973   0.313  12.093
  379   1HG2  THR  30          HG22      THR  51  16.950   2.333  10.422
  380   2HG2  THR  30          HG21      THR  51  15.643   2.293  11.595
  381   3HG2  THR  30          HG23      THR  51  17.057   1.281  11.819
   
 Raw file had 381 H/Q atoms
  Start of MODEL    1
    1   1H    GLY   1           HT1      GLY   1   2.178  -9.865  11.099
    2   2H    GLY   1           HT3      GLY   1   0.605 -10.141  11.671
    3   3H    GLY   1           HT2      GLY   1   1.777 -11.364  11.791
    4   1HA   GLY   1           HA1      GLY   1   1.162 -12.162   9.838
    5   2HA   GLY   1           HA2      GLY   1  -0.025 -10.869   9.715
    6    H    ILE   2           HN       ILE   2   0.766 -11.484   7.447
    7    HA   ILE   2           HA       ILE   2   2.912 -11.045   6.029
    8    HB   ILE   2           HB       ILE   2   1.272  -9.404   4.495
    9   1HG1  ILE   2          HG12      ILE   2  -1.049 -10.149   4.670
   10   2HG1  ILE   2          HG11      ILE   2  -0.690 -11.074   6.107
   11   1HG2  ILE   2          HG22      ILE   2   2.248 -11.518   3.781
   12   2HG2  ILE   2          HG21      ILE   2   1.108 -12.411   4.773
   13   3HG2  ILE   2          HG23      ILE   2   0.540 -11.473   3.400
   14   1HD1  ILE   2           HD1      ILE   2  -0.498  -8.034   5.926
   15   2HD1  ILE   2           HD3      ILE   2  -1.839  -8.931   6.609
   16   3HD1  ILE   2           HD2      ILE   2  -0.282  -9.000   7.385
   17    H    VAL   3           HN       VAL   3   1.250  -8.282   7.303
   18    HA   VAL   3           HA       VAL   3   2.302  -6.065   6.326
   19    HB   VAL   3           HB       VAL   3   0.957  -6.682   8.559
   20   1HG1  VAL   3          HG12      VAL   3   2.845  -7.229   9.986
   21   2HG1  VAL   3          HG11      VAL   3   3.534  -5.627   9.742
   22   3HG1  VAL   3          HG13      VAL   3   2.015  -5.807  10.597
   23   1HG2  VAL   3          HG22      VAL   3   2.287  -3.996   7.976
   24   2HG2  VAL   3          HG21      VAL   3   0.763  -4.557   7.313
   25   3HG2  VAL   3          HG23      VAL   3   0.900  -4.203   9.025
   26    H    GLU   4           HN       GLU   4   4.164  -7.985   8.605
   27    HA   GLU   4           HA       GLU   4   6.437  -6.684   9.319
   28   1HB   GLU   4           HB1      GLU   4   7.774  -8.701   9.035
   29   2HB   GLU   4           HB2      GLU   4   6.189  -9.116   9.605
   30   1HG   GLU   4           HG2      GLU   4   6.707 -10.771   8.016
   31   2HG   GLU   4           HG1      GLU   4   5.580  -9.742   7.187
   32    H    GLN   5           HN       GLN   5   5.976  -7.689   6.017
   33    HA   GLN   5           HA       GLN   5   8.272  -7.095   4.708
   34   1HB   GLN   5           HB1      GLN   5   5.768  -7.696   3.976
   35   2HB   GLN   5           HB2      GLN   5   5.735  -6.033   3.501
   36   1HG   GLN   5           HG2      GLN   5   6.488  -7.178   1.535
   37   2HG   GLN   5           HG1      GLN   5   7.945  -6.463   2.210
   38   1HE2  GLN   5          HE21      GLN   5   9.487  -9.605   2.564
   39   2HE2  GLN   5          HE22      GLN   5   9.663  -7.919   2.449
   40    H    CYS   6           HN       CYS   6   5.977  -4.713   5.723
   41    HA   CYS   6           HA       CYS   6   7.421  -2.411   4.590
   42   1HB   CYS   6           HB1      CYS   6   4.991  -2.333   6.355
   43   2HB   CYS   6           HB2      CYS   6   5.538  -1.093   5.266
   44    H    CYS   7           HN       CYS   7   7.553  -3.973   7.572
   45    HA   CYS   7           HA       CYS   7   8.576  -1.556   9.018
   46   1HB   CYS   7           HB1      CYS   7   6.696  -2.791  10.118
   47   2HB   CYS   7           HB2      CYS   7   7.645  -4.251  10.083
   48    H    THR   8           HN       THR   8   9.198  -4.411   7.523
   49    HA   THR   8           HA       THR   8  12.043  -4.640   8.293
   50    HB   THR   8           HB       THR   8  10.022  -6.841   7.585
   51    HG1  THR   8           HG1      THR   8  10.501  -5.454   9.862
   52   1HG2  THR   8          HG22      THR   8  12.440  -7.464   7.282
   53   2HG2  THR   8          HG21      THR   8  12.718  -7.054   8.967
   54   3HG2  THR   8          HG23      THR   8  11.641  -8.379   8.549
   55    H    SER   9           HN       SER   9  11.727  -2.985   6.582
   56    HA   SER   9           HA       SER   9  12.847  -2.681   4.408
   57   1HB   SER   9           HB1      SER   9  12.433  -5.142   3.668
   58   2HB   SER   9           HB2      SER   9  10.772  -4.677   3.277
   59    HG   SER   9           HG1      SER   9  11.515  -3.774   1.546
   60    H    ILE  10           HN       ILE  10  11.063  -2.216   2.230
   61    HA   ILE  10           HA       ILE  10   9.101  -0.295   3.438
   62    HB   ILE  10           HB       ILE  10  10.380  -0.164   0.661
   63   1HG1  ILE  10          HG12      ILE  10  12.159   0.002   2.433
   64   2HG1  ILE  10          HG11      ILE  10  11.994   1.457   1.485
   65   1HG2  ILE  10          HG21      ILE  10   8.918   1.982   2.265
   66   2HG2  ILE  10          HG23      ILE  10   9.696   2.214   0.706
   67   3HG2  ILE  10          HG22      ILE  10   8.307   1.179   0.833
   68   1HD1  ILE  10           HD1      ILE  10  10.808   1.054   4.264
   69   2HD1  ILE  10           HD3      ILE  10  12.258   1.966   3.891
   70   3HD1  ILE  10           HD2      ILE  10  10.709   2.522   3.296
   71    H    CYS  11           HN       CYS  11   9.137  -3.248   2.148
   72    HA   CYS  11           HA       CYS  11   7.721  -4.604   0.900
   73   1HB   CYS  11           HB1      CYS  11   5.398  -4.470   1.581
   74   2HB   CYS  11           HB2      CYS  11   6.421  -4.112   2.918
   75    H    SER  12           HN       SER  12   5.218  -4.162  -0.253
   76    HA   SER  12           HA       SER  12   5.907  -2.413  -2.584
   77   1HB   SER  12           HB1      SER  12   4.674  -4.036  -3.995
   78   2HB   SER  12           HB2      SER  12   5.807  -4.953  -2.992
   79    HG   SER  12           HG1      SER  12   3.122  -4.980  -2.977
   80    H    LEU  13           HN       LEU  13   3.505  -2.568  -3.820
   81    HA   LEU  13           HA       LEU  13   1.762  -0.772  -2.209
   82   1HB   LEU  13           HB1      LEU  13   2.715  -0.064  -4.487
   83   2HB   LEU  13           HB2      LEU  13   1.896  -1.409  -5.224
   84    HG   LEU  13           HG       LEU  13   0.710   0.664  -5.672
   85   1HD1  LEU  13          HD12      LEU  13  -0.653  -1.341  -5.472
   86   2HD1  LEU  13          HD11      LEU  13  -0.915  -1.044  -3.758
   87   3HD1  LEU  13          HD13      LEU  13  -1.556   0.069  -4.947
   88   1HD2  LEU  13          HD21      LEU  13   1.413   1.967  -3.716
   89   2HD2  LEU  13          HD23      LEU  13  -0.335   1.999  -3.878
   90   3HD2  LEU  13          HD22      LEU  13   0.418   0.980  -2.657
   91    OH   TYR  14           OH       TYR  14  -2.801  -9.866  -6.313
   92    H    TYR  14           HN       TYR  14   1.672  -3.361  -4.569
   93    HA   TYR  14           HA       TYR  14  -0.776  -4.442  -4.554
   94   1HB   TYR  14           HB1      TYR  14   1.334  -5.381  -5.658
   95   2HB   TYR  14           HB2      TYR  14   1.657  -6.226  -4.151
   96    HD1  TYR  14           HD1      TYR  14  -0.951  -5.762  -6.781
   97    HD2  TYR  14           HD2      TYR  14   0.519  -8.273  -3.675
   98    HE1  TYR  14           HE1      TYR  14  -2.535  -7.503  -7.446
   99    HE2  TYR  14           HE2      TYR  14  -1.067 -10.017  -4.338
  100    HH   TYR  14           HH       TYR  14  -3.284  -9.560  -7.087
  101    H    GLN  15           HN       GLN  15   1.544  -5.458  -2.064
  102    HA   GLN  15           HA       GLN  15   0.053  -7.226  -0.584
  103   1HB   GLN  15           HB1      GLN  15   1.964  -5.053   0.392
  104   2HB   GLN  15           HB2      GLN  15   1.423  -6.371   1.412
  105   1HG   GLN  15           HG2      GLN  15   2.815  -6.808  -1.265
  106   2HG   GLN  15           HG1      GLN  15   3.652  -6.789   0.279
  107   1HE2  GLN  15          HE21      GLN  15   1.645 -10.093  -0.904
  108   2HE2  GLN  15          HE22      GLN  15   1.759  -8.710  -1.885
  109    H    LEU  16           HN       LEU  16   0.307  -4.003   0.845
  110    HA   LEU  16           HA       LEU  16  -1.937  -4.158   2.407
  111   1HB   LEU  16           HB1      LEU  16  -0.341  -1.901   1.326
  112   2HB   LEU  16           HB2      LEU  16  -1.935  -1.460   1.915
  113    HG   LEU  16           HG       LEU  16  -1.413  -2.904   4.004
  114   1HD1  LEU  16          HD12      LEU  16   0.520  -4.165   3.050
  115   2HD1  LEU  16          HD11      LEU  16   1.414  -2.670   2.926
  116   3HD1  LEU  16          HD13      LEU  16   0.976  -3.303   4.501
  117   1HD2  LEU  16          HD21      LEU  16  -1.338  -0.432   4.097
  118   2HD2  LEU  16          HD23      LEU  16  -0.125  -1.185   5.114
  119   3HD2  LEU  16          HD22      LEU  16   0.319  -0.520   3.553
  120    H    GLU  17           HN       GLU  17  -2.099  -3.689  -0.976
  121    HA   GLU  17           HA       GLU  17  -4.547  -2.373  -1.309
  122   1HB   GLU  17           HB1      GLU  17  -3.736  -4.935  -2.770
  123   2HB   GLU  17           HB2      GLU  17  -5.011  -3.887  -3.291
  124   1HG   GLU  17           HG2      GLU  17  -3.463  -2.066  -3.756
  125   2HG   GLU  17           HG1      GLU  17  -2.116  -3.040  -3.195
  126    H    ASN  18           HN       ASN  18  -3.981  -5.703  -0.690
  127    HA   ASN  18           HA       ASN  18  -6.765  -6.403  -0.339
  128   1HB   ASN  18           HB1      ASN  18  -4.906  -7.962  -1.117
  129   2HB   ASN  18           HB2      ASN  18  -4.309  -7.984   0.531
  130   1HD2  ASN  18          HD21      ASN  18  -8.056  -9.433   0.755
  131   2HD2  ASN  18          HD22      ASN  18  -7.773  -7.779   0.534
  132    OH   TYR  19           OH       TYR  19   0.077  -8.812   2.316
  133    H    TYR  19           HN       TYR  19  -4.284  -5.211   1.706
  134    HA   TYR  19           HA       TYR  19  -5.673  -6.013   4.198
  135   1HB   TYR  19           HB1      TYR  19  -3.245  -4.076   4.122
  136   2HB   TYR  19           HB2      TYR  19  -3.771  -5.163   5.405
  137    HD1  TYR  19           HD1      TYR  19  -4.185  -7.640   3.271
  138    HD2  TYR  19           HD2      TYR  19  -1.068  -4.910   4.244
  139    HE1  TYR  19           HE1      TYR  19  -2.521  -9.206   2.406
  140    HE2  TYR  19           HE2      TYR  19   0.552  -6.398   3.343
  141    HH   TYR  19           HH       TYR  19   0.948  -8.421   2.417
  142    H    CYS  20           HN       CYS  20  -6.178  -3.674   1.933
  143    HA   CYS  20           HA       CYS  20  -7.171  -1.653   3.895
  144   1HB   CYS  20           HB1      CYS  20  -5.607  -0.730   2.168
  145   2HB   CYS  20           HB2      CYS  20  -6.631  -1.358   0.902
  146    H    ASN  21           HN       ASN  21  -7.958  -3.089   0.824
  147    HA   ASN  21           HA       ASN  21 -10.842  -3.263   1.605
  148   1HB   ASN  21           HB1      ASN  21 -11.498  -2.498  -0.650
  149   2HB   ASN  21           HB2      ASN  21 -10.463  -1.298   0.089
  150   1HD2  ASN  21          HD21      ASN  21  -9.393  -2.750  -3.428
  151   2HD2  ASN  21          HD22      ASN  21 -10.951  -2.901  -2.769
  152   1H    PHE   1           HT1      PHE  22  15.181  10.455  -1.225
  153   2H    PHE   1           HT3      PHE  22  14.992  11.844  -0.270
  154   3H    PHE   1           HT2      PHE  22  15.951  10.559   0.284
  155    HA   PHE   1           HA       PHE  22  14.240   9.627   1.253
  156   1HB   PHE   1           HB1      PHE  22  13.442  11.960   1.576
  157   2HB   PHE   1           HB2      PHE  22  12.626  11.930   0.023
  158    HD1  PHE   1           HD1      PHE  22  12.805   9.616   3.005
  159    HD2  PHE   1           HD2      PHE  22  10.299  11.684   0.238
  160    HE1  PHE   1           HE1      PHE  22  10.822   8.665   4.084
  161    HE2  PHE   1           HE2      PHE  22   8.320  10.720   1.319
  162    HZ   PHE   1           HZ       PHE  22   8.576   9.212   3.244
  163    H    VAL   2           HN       VAL  23  14.196   7.746   0.213
  164    HA   VAL   2           HA       VAL  23  12.386   7.425  -2.127
  165    HB   VAL   2           HB       VAL  23  14.579   5.709  -1.022
  166   1HG1  VAL   2          HG11      VAL  23  13.241   5.502  -3.772
  167   2HG1  VAL   2          HG13      VAL  23  14.648   4.567  -3.301
  168   3HG1  VAL   2          HG12      VAL  23  13.127   4.306  -2.491
  169   1HG2  VAL   2          HG22      VAL  23  14.719   7.648  -3.390
  170   2HG2  VAL   2          HG21      VAL  23  15.570   7.817  -1.865
  171   3HG2  VAL   2          HG23      VAL  23  16.012   6.537  -2.974
  172    H    ASN   3           HN       ASN  24  12.076   7.497   0.661
  173    HA   ASN   3           HA       ASN  24  10.079   6.918   1.942
  174   1HB   ASN   3           HB1      ASN  24  10.435   4.097   0.834
  175   2HB   ASN   3           HB2      ASN  24   9.182   4.604   1.943
  176   1HD2  ASN   3          HD21      ASN  24   8.101   4.729  -1.742
  177   2HD2  ASN   3          HD22      ASN  24   9.068   3.584  -0.942
  178    H    GLN   4           HN       GLN  25   9.750   5.488   3.801
  179    HA   GLN   4           HA       GLN  25  12.225   4.426   5.029
  180   1HB   GLN   4           HB1      GLN  25  11.747   6.850   5.747
  181   2HB   GLN   4           HB2      GLN  25  10.211   6.302   6.389
  182   1HG   GLN   4           HG2      GLN  25  11.388   4.804   7.994
  183   2HG   GLN   4           HG1      GLN  25  12.940   5.277   7.312
  184   1HE2  GLN   4          HE21      GLN  25  11.355   7.479  10.213
  185   2HE2  GLN   4          HE22      GLN  25  10.889   5.887   9.842
  186    H    HIS   5           HN       HIS  26  11.447   3.211   7.085
  187    HA   HIS   5           HA       HIS  26   9.497   1.285   6.276
  188   1HB   HIS   5           HB1      HIS  26  11.024   1.775   8.870
  189   2HB   HIS   5           HB2      HIS  26   9.985   0.377   8.624
  190    HD1  HIS   5           HD1      HIS  26  12.563   1.906   6.305
  191    HD2  HIS   5           HD2      HIS  26  11.674  -1.679   8.010
  192    HE1  HIS   5           HE1      HIS  26  14.195   0.285   5.414
  193    H    LEU   6           HN       LEU  27   7.691   0.900   7.110
  194    HA   LEU   6           HA       LEU  27   6.109   3.021   8.518
  195   1HB   LEU   6           HB1      LEU  27   4.974   0.942   6.584
  196   2HB   LEU   6           HB2      LEU  27   4.162   2.364   7.162
  197    HG   LEU   6           HG       LEU  27   4.700   2.842   4.926
  198   1HD1  LEU   6          HD12      LEU  27   5.384   4.795   6.224
  199   2HD1  LEU   6          HD11      LEU  27   7.004   4.149   6.412
  200   3HD1  LEU   6          HD13      LEU  27   6.410   4.594   4.828
  201   1HD2  LEU   6          HD22      LEU  27   7.475   1.652   5.254
  202   2HD2  LEU   6          HD21      LEU  27   6.106   0.965   4.402
  203   3HD2  LEU   6          HD23      LEU  27   6.868   2.426   3.810
  204    H    CYS   7           HN       CYS  28   6.176   2.228  10.605
  205    HA   CYS   7           HA       CYS  28   5.058  -0.523  10.993
  206   1HB   CYS   7           HB1      CYS  28   7.635  -0.201  11.195
  207   2HB   CYS   7           HB2      CYS  28   7.275   0.553  12.722
  208    H    GLY   8           HN       GLY  29   3.164   1.284  11.305
  209   1HA   GLY   8           HA1      GLY  29   1.607   1.269  13.251
  210   2HA   GLY   8           HA2      GLY  29   2.957   1.680  14.286
  211    H    SER   9           HN       SER  30   0.638   2.785  12.068
  212    HA   SER   9           HA       SER  30  -0.510   4.931  12.312
  213   1HB   SER   9           HB1      SER  30   1.232   6.012  13.892
  214   2HB   SER   9           HB2      SER  30   2.334   6.179  12.513
  215    HG   SER   9           HG1      SER  30  -0.081   7.034  11.793
  216    H    HIS  10           HN       HIS  31   2.651   4.729  10.980
  217    HA   HIS  10           HA       HIS  31   2.382   5.977   8.488
  218   1HB   HIS  10           HB1      HIS  31   4.019   3.529   9.300
  219   2HB   HIS  10           HB2      HIS  31   4.274   4.431   7.816
  220    HD1  HIS  10           HD1      HIS  31   3.810   5.794  11.296
  221    HD2  HIS  10           HD2      HIS  31   6.571   5.854   8.290
  222    HE1  HIS  10           HE1      HIS  31   5.601   7.323  12.029
  223    H    LEU  11           HN       LEU  32   1.794   2.705   9.497
  224    HA   LEU  11           HA       LEU  32   0.945   1.511   7.087
  225   1HB   LEU  11           HB1      LEU  32   0.137   0.938   9.968
  226   2HB   LEU  11           HB2      LEU  32  -0.190  -0.144   8.630
  227    HG   LEU  11           HG       LEU  32   2.629   0.794   9.415
  228   1HD1  LEU  11          HD12      LEU  32   1.634  -0.640  11.193
  229   2HD1  LEU  11          HD11      LEU  32   1.252  -1.858   9.982
  230   3HD1  LEU  11          HD13      LEU  32   2.929  -1.479  10.354
  231   1HD2  LEU  11          HD22      LEU  32   1.678  -1.433   7.540
  232   2HD2  LEU  11          HD21      LEU  32   2.421   0.070   7.023
  233   3HD2  LEU  11          HD23      LEU  32   3.346  -1.091   7.949
  234    H    VAL  12           HN       VAL  33  -1.080   3.044   9.618
  235    HA   VAL  12           HA       VAL  33  -3.613   2.642   8.555
  236    HB   VAL  12           HB       VAL  33  -2.541   5.334   9.653
  237   1HG1  VAL  12          HG11      VAL  33  -5.441   4.434   9.364
  238   2HG1  VAL  12          HG13      VAL  33  -4.910   5.909  10.152
  239   3HG1  VAL  12          HG12      VAL  33  -4.661   5.705   8.433
  240   1HG2  VAL  12          HG22      VAL  33  -4.108   3.168  11.061
  241   2HG2  VAL  12          HG21      VAL  33  -2.401   3.510  11.302
  242   3HG2  VAL  12          HG23      VAL  33  -3.608   4.697  11.763
  243    H    GLU  13           HN       GLU  34  -1.496   5.290   7.829
  244    HA   GLU  13           HA       GLU  34  -2.935   6.404   5.658
  245   1HB   GLU  13           HB1      GLU  34   0.138   6.289   5.810
  246   2HB   GLU  13           HB2      GLU  34  -0.853   7.495   5.002
  247   1HG   GLU  13           HG2      GLU  34  -1.687   8.318   7.178
  248   2HG   GLU  13           HG1      GLU  34  -0.826   7.048   8.025
  249    H    ALA  14           HN       ALA  35  -0.090   4.281   5.357
  250    HA   ALA  14           HA       ALA  35  -0.098   3.700   2.706
  251   1HB   ALA  14           HB2      ALA  35   1.399   2.616   4.380
  252   2HB   ALA  14           HB1      ALA  35   0.079   1.587   4.912
  253   3HB   ALA  14           HB3      ALA  35   0.717   1.435   3.281
  254    H    LEU  15           HN       LEU  36  -2.316   2.049   4.947
  255    HA   LEU  15           HA       LEU  36  -3.671   0.568   2.882
  256   1HB   LEU  15           HB1      LEU  36  -4.940   1.676   5.478
  257   2HB   LEU  15           HB2      LEU  36  -5.612   0.391   4.511
  258    HG   LEU  15           HG       LEU  36  -3.019   0.275   6.111
  259   1HD1  LEU  15          HD12      LEU  36  -5.077   0.283   7.491
  260   2HD1  LEU  15          HD11      LEU  36  -5.740  -1.037   6.546
  261   3HD1  LEU  15          HD13      LEU  36  -4.307  -1.297   7.526
  262   1HD2  LEU  15          HD21      LEU  36  -3.112  -1.216   3.984
  263   2HD2  LEU  15          HD23      LEU  36  -3.131  -2.183   5.453
  264   3HD2  LEU  15          HD22      LEU  36  -4.609  -1.854   4.567
  265    OH   TYR  16           OH       TYR  37  -2.981  10.030   5.858
  266    H    TYR  16           HN       TYR  37  -4.682   3.460   4.585
  267    HA   TYR  16           HA       TYR  37  -6.777   4.132   2.788
  268   1HB   TYR  16           HB1      TYR  37  -7.172   5.819   4.337
  269   2HB   TYR  16           HB2      TYR  37  -6.040   4.869   5.274
  270    HD1  TYR  16           HD2      TYR  37  -4.529   7.280   2.741
  271    HD2  TYR  16           HD1      TYR  37  -5.715   6.529   6.780
  272    HE1  TYR  16           HE2      TYR  37  -3.319   9.085   3.349
  273    HE2  TYR  16           HE1      TYR  37  -4.388   8.416   7.490
  274    HH   TYR  16           HH       TYR  37  -3.113  10.183   6.797
  275    H    LEU  17           HN       LEU  38  -3.479   4.163   2.247
  276    HA   LEU  17           HA       LEU  38  -3.426   6.510   0.462
  277   1HB   LEU  17           HB1      LEU  38  -1.528   5.834   2.068
  278   2HB   LEU  17           HB2      LEU  38  -1.226   4.449   1.038
  279    HG   LEU  17           HG       LEU  38  -1.241   7.269  -0.063
  280   1HD1  LEU  17          HD12      LEU  38   0.397   7.189   1.817
  281   2HD1  LEU  17          HD11      LEU  38   1.144   5.756   1.128
  282   3HD1  LEU  17          HD13      LEU  38   1.235   7.292   0.282
  283   1HD2  LEU  17          HD22      LEU  38   0.210   4.702  -0.930
  284   2HD2  LEU  17          HD21      LEU  38  -1.203   5.351  -1.740
  285   3HD2  LEU  17          HD23      LEU  38   0.300   6.239  -1.767
  286    H    VAL  18           HN       VAL  39  -3.203   2.928   0.406
  287    HA   VAL  18           HA       VAL  39  -3.008   2.750  -2.453
  288    HB   VAL  18           HB       VAL  39  -4.349   0.829  -0.456
  289   1HG1  VAL  18          HG11      VAL  39  -3.456   0.414  -3.354
  290   2HG1  VAL  18          HG13      VAL  39  -4.109  -0.821  -2.302
  291   3HG1  VAL  18          HG12      VAL  39  -5.131   0.492  -2.820
  292   1HG2  VAL  18          HG21      VAL  39  -1.882   1.110  -0.068
  293   2HG2  VAL  18          HG23      VAL  39  -2.255  -0.498  -0.652
  294   3HG2  VAL  18          HG22      VAL  39  -1.585   0.697  -1.750
  295    H    CYS  19           HN       CYS  40  -5.518   3.003  -0.115
  296    HA   CYS  19           HA       CYS  40  -7.689   3.412  -2.103
  297   1HB   CYS  19           HB1      CYS  40  -7.817   3.200   0.910
  298   2HB   CYS  19           HB2      CYS  40  -9.144   3.207  -0.202
  299    H    GLY  20           HN       GLY  41  -5.595   5.315  -1.621
  300   1HA   GLY  20           HA1      GLY  41  -7.125   7.748  -0.752
  301   2HA   GLY  20           HA2      GLY  41  -5.434   7.572  -0.267
  302    H    GLU  21           HN       GLU  42  -4.041   6.960  -2.208
  303    HA   GLU  21           HA       GLU  42  -4.632   8.591  -4.626
  304   1HB   GLU  21           HB1      GLU  42  -2.207   9.316  -4.548
  305   2HB   GLU  21           HB2      GLU  42  -3.138   9.888  -3.178
  306   1HG   GLU  21           HG2      GLU  42  -2.284   8.029  -1.775
  307   2HG   GLU  21           HG1      GLU  42  -1.398   7.370  -3.137
  308    NH1  ARG  22           NH2      ARG  43   1.539   1.001  -8.413
  309    NH2  ARG  22           NH1      ARG  43   2.769   1.979  -6.757
  310    H    ARG  22           HN       ARG  43  -3.059   8.136  -6.315
  311    HA   ARG  22           HA       ARG  43  -1.762   6.808  -7.741
  312   1HB   ARG  22           HB1      ARG  43  -1.036   5.418  -5.666
  313   2HB   ARG  22           HB2      ARG  43  -2.386   4.346  -5.998
  314   1HG   ARG  22           HG2      ARG  43  -1.386   3.365  -7.798
  315   2HG   ARG  22           HG1      ARG  43  -0.719   4.873  -8.394
  316   1HD   ARG  22           HD2      ARG  43   1.037   4.775  -6.606
  317   2HD   ARG  22           HD1      ARG  43   0.385   3.238  -6.060
  318    HE   ARG  22           HE       ARG  43   1.417   3.607  -8.852
  319   1HH1  ARG  22          HH22      ARG  43   0.855   1.089  -9.137
  320   2HH1  ARG  22          HH21      ARG  43   1.963   0.113  -8.229
  321   1HH2  ARG  22          HH12      ARG  43   2.999   2.803  -6.238
  322   2HH2  ARG  22          HH11      ARG  43   3.218   1.110  -6.546
  323    H    GLY  23           HN       GLY  44  -4.339   4.964  -6.342
  324   1HA   GLY  23           HA1      GLY  44  -6.579   4.783  -7.360
  325   2HA   GLY  23           HA2      GLY  44  -5.842   5.040  -8.931
  326    H    GLY  24           HN       GLY  45  -7.429   3.267  -9.110
  327   1HA   GLY  24           HA1      GLY  45  -6.113   0.587  -8.848
  328   2HA   GLY  24           HA2      GLY  45  -7.861   0.838  -8.795
  329    H    PHE  25           HN       PHE  46  -7.335  -0.882 -10.604
  330    HA   PHE  25           HA       PHE  46  -7.098   0.527 -13.237
  331   1HB   PHE  25           HB1      PHE  46  -6.406  -2.335 -12.485
  332   2HB   PHE  25           HB2      PHE  46  -6.457  -1.757 -14.136
  333    HD1  PHE  25           HD2      PHE  46  -5.168   1.101 -12.832
  334    HD2  PHE  25           HD1      PHE  46  -4.068  -3.009 -13.188
  335    HE1  PHE  25           HE2      PHE  46  -2.818   1.717 -12.715
  336    HE2  PHE  25           HE1      PHE  46  -1.705  -2.372 -13.080
  337    HZ   PHE  25           HZ       PHE  46  -1.072  -0.009 -12.841
  338    OH   TYR  26           OH       TYR  47 -13.531  -1.428  -8.836
  339    H    TYR  26           HN       TYR  47  -8.949   0.917 -14.030
  340    HA   TYR  26           HA       TYR  47 -10.996  -1.248 -14.276
  341   1HB   TYR  26           HB1      TYR  47 -11.310   1.696 -13.628
  342   2HB   TYR  26           HB2      TYR  47 -12.614   0.847 -14.439
  343    HD1  TYR  26           HD1      TYR  47 -10.400   0.608 -11.402
  344    HD2  TYR  26           HD2      TYR  47 -14.116  -0.421 -13.206
  345    HE1  TYR  26           HE1      TYR  47 -11.176  -0.329  -9.276
  346    HE2  TYR  26           HE2      TYR  47 -14.892  -1.359 -11.086
  347    HH   TYR  26           HH       TYR  47 -12.869  -1.257  -8.162
  348    H    THR  27           HN       THR  48 -12.537  -0.707 -16.084
  349    HA   THR  27           HA       THR  48 -11.072   0.301 -18.499
  350    HB   THR  27           HB       THR  48 -12.279  -1.588 -19.764
  351    HG1  THR  27           HG1      THR  48 -13.968  -2.284 -18.731
  352   1HG2  THR  27          HG22      THR  48 -10.048  -2.155 -18.599
  353   2HG2  THR  27          HG21      THR  48 -10.979  -2.657 -17.198
  354   3HG2  THR  27          HG23      THR  48 -11.152  -3.514 -18.720
  355    HA   PRO  28           HA       PRO  49 -14.957   2.511 -19.131
  356   1HB   PRO  28           HB1      PRO  49 -15.041   2.856 -21.833
  357   2HB   PRO  28           HB2      PRO  49 -13.807   3.604 -20.824
  358   1HG   PRO  28           HG2      PRO  49 -13.520   1.345 -22.746
  359   2HG   PRO  28           HG1      PRO  49 -12.269   2.388 -22.080
  360   1HD   PRO  28           HD1      PRO  49 -13.068  -0.291 -21.172
  361   2HD   PRO  28           HD2      PRO  49 -11.683   0.680 -20.621
  362    H    LYS  29           HN       LYS  50 -15.225   0.609 -22.016
  363    HA   LYS  29           HA       LYS  50 -17.603  -0.828 -20.905
  364   1HB   LYS  29           HB1      LYS  50 -17.321   0.633 -23.553
  365   2HB   LYS  29           HB2      LYS  50 -18.545  -0.595 -23.341
  366   1HG   LYS  29           HG2      LYS  50 -18.222   1.873 -21.562
  367   2HG   LYS  29           HG1      LYS  50 -19.345   1.789 -22.897
  368   1HD   LYS  29           HD2      LYS  50 -19.422  -0.013 -20.411
  369   2HD   LYS  29           HD1      LYS  50 -20.451   1.364 -20.700
  370   1HE   LYS  29           HE2      LYS  50 -20.410  -1.120 -22.485
  371   2HE   LYS  29           HE1      LYS  50 -21.600  -0.777 -21.246
  372   1HZ   LYS  29           HZ1      LYS  50 -21.403   1.479 -22.863
  373   2HZ   LYS  29           HZ3      LYS  50 -21.540   0.124 -23.880
  374   3HZ   LYS  29           HZ2      LYS  50 -22.713   0.415 -22.686
  375    H    THR  30           HN       THR  51 -18.151  -2.763 -21.882
  376    HA   THR  30           HA       THR  51 -15.980  -4.165 -23.386
  377    HB   THR  30           HB       THR  51 -16.513  -6.214 -21.908
  378    HG1  THR  30           HG1      THR  51 -17.631  -4.752 -19.959
  379   1HG2  THR  30          HG22      THR  51 -14.614  -4.612 -21.258
  380   2HG2  THR  30          HG21      THR  51 -15.766  -3.693 -20.300
  381   3HG2  THR  30          HG23      THR  51 -15.385  -5.350 -19.863
   
 Raw file had 381 H/Q atoms
  Start of MODEL    2
    1   1H    GLY   1           HT1      GLY   1 -15.211   3.041  -3.417
    2   2H    GLY   1           HT3      GLY   1 -15.071   3.975  -4.827
    3   3H    GLY   1           HT2      GLY   1 -16.125   2.643  -4.789
    4   1HA   GLY   1           HA1      GLY   1 -14.543   1.329  -5.527
    5   2HA   GLY   1           HA2      GLY   1 -13.440   2.698  -5.561
    6    H    ILE   2           HN       ILE   2 -12.062   0.700  -5.033
    7    HA   ILE   2           HA       ILE   2 -11.939   0.180  -2.093
    8    HB   ILE   2           HB       ILE   2 -10.725  -1.845  -2.638
    9   1HG1  ILE   2          HG12      ILE   2 -10.517  -0.635  -5.415
   10   2HG1  ILE   2          HG11      ILE   2  -9.257  -1.263  -4.394
   11   1HG2  ILE   2          HG22      ILE   2 -13.190  -1.955  -2.818
   12   2HG2  ILE   2          HG21      ILE   2 -13.113  -1.528  -4.519
   13   3HG2  ILE   2          HG23      ILE   2 -12.459  -3.060  -3.961
   14   1HD1  ILE   2           HD2      ILE   2 -10.030  -3.576  -4.783
   15   2HD1  ILE   2           HD1      ILE   2 -11.314  -2.976  -5.818
   16   3HD1  ILE   2           HD3      ILE   2  -9.638  -2.758  -6.284
   17    H    VAL   3           HN       VAL   3 -10.173   1.312  -4.824
   18    HA   VAL   3           HA       VAL   3  -7.724   1.813  -3.245
   19    HB   VAL   3           HB       VAL   3  -8.157   0.964  -5.865
   20   1HG1  VAL   3          HG12      VAL   3  -9.026   3.150  -6.643
   21   2HG1  VAL   3          HG11      VAL   3  -7.531   3.928  -6.141
   22   3HG1  VAL   3          HG13      VAL   3  -7.514   2.743  -7.435
   23   1HG2  VAL   3          HG22      VAL   3  -5.723   2.451  -4.846
   24   2HG2  VAL   3          HG21      VAL   3  -6.070   0.736  -4.678
   25   3HG2  VAL   3          HG23      VAL   3  -5.758   1.413  -6.263
   26    H    GLU   4           HN       GLU   4 -10.449   3.197  -4.812
   27    HA   GLU   4           HA       GLU   4  -9.937   6.048  -4.571
   28   1HB   GLU   4           HB1      GLU   4 -11.646   5.211  -6.093
   29   2HB   GLU   4           HB2      GLU   4 -12.422   4.288  -4.833
   30   1HG   GLU   4           HG2      GLU   4 -12.238   7.315  -4.667
   31   2HG   GLU   4           HG1      GLU   4 -13.493   6.554  -5.621
   32    H    GLN   5           HN       GLN   5 -11.192   3.511  -2.574
   33    HA   GLN   5           HA       GLN   5 -12.234   4.919  -0.396
   34   1HB   GLN   5           HB1      GLN   5 -11.891   2.302  -1.026
   35   2HB   GLN   5           HB2      GLN   5 -10.599   2.439   0.134
   36   1HG   GLN   5           HG2      GLN   5 -13.498   3.254   0.675
   37   2HG   GLN   5           HG1      GLN   5 -12.788   1.730   1.162
   38   1HE2  GLN   5          HE21      GLN   5 -10.507   3.944   3.356
   39   2HE2  GLN   5          HE22      GLN   5 -10.166   3.223   1.859
   40    H    CYS   6           HN       CYS   6  -8.858   3.888  -0.932
   41    HA   CYS   6           HA       CYS   6  -7.828   5.103   1.476
   42   1HB   CYS   6           HB1      CYS   6  -6.370   4.296  -1.051
   43   2HB   CYS   6           HB2      CYS   6  -5.599   4.728   0.448
   44    H    CYS   7           HN       CYS   7  -8.540   6.467  -1.551
   45    HA   CYS   7           HA       CYS   7  -6.743   8.789  -1.219
   46   1HB   CYS   7           HB1      CYS   7  -7.092   7.876  -3.453
   47   2HB   CYS   7           HB2      CYS   7  -8.817   8.086  -3.315
   48    H    THR   8           HN       THR   8 -10.158   8.106  -1.334
   49    HA   THR   8           HA       THR   8 -11.057  10.771  -0.702
   50    HB   THR   8           HB       THR   8 -12.247   8.861  -2.115
   51    HG1  THR   8           HG1      THR   8 -14.030   9.830  -0.219
   52   1HG2  THR   8          HG21      THR   8 -13.268   8.163   0.713
   53   2HG2  THR   8          HG23      THR   8 -13.859   7.492  -0.788
   54   3HG2  THR   8          HG22      THR   8 -12.240   7.104  -0.239
   55    H    SER   9           HN       SER   9 -10.682   7.755   1.017
   56    HA   SER   9           HA       SER   9 -11.191   9.038   3.654
   57   1HB   SER   9           HB1      SER   9 -12.814   7.131   2.951
   58   2HB   SER   9           HB2      SER   9 -11.424   6.042   2.972
   59    HG   SER   9           HG1      SER   9 -11.428   7.591   5.158
   60    H    ILE  10           HN       ILE  10  -9.986   6.887   5.054
   61    HA   ILE  10           HA       ILE  10  -7.110   7.445   4.514
   62    HB   ILE  10           HB       ILE  10  -8.267   6.071   6.987
   63   1HG1  ILE  10          HG12      ILE  10  -9.626   8.125   6.734
   64   2HG1  ILE  10          HG11      ILE  10  -8.522   8.318   8.063
   65   1HG2  ILE  10          HG21      ILE  10  -5.815   7.847   6.605
   66   2HG2  ILE  10          HG23      ILE  10  -6.316   7.097   8.109
   67   3HG2  ILE  10          HG22      ILE  10  -5.802   6.103   6.760
   68   1HD1  ILE  10           HD1      ILE  10  -8.068   9.482   5.293
   69   2HD1  ILE  10           HD3      ILE  10  -8.625  10.360   6.709
   70   3HD1  ILE  10           HD2      ILE  10  -7.017   9.673   6.690
   71    H    CYS  11           HN       CYS  11  -9.072   4.702   5.593
   72    HA   CYS  11           HA       CYS  11  -9.231   2.504   4.878
   73   1HB   CYS  11           HB1      CYS  11  -8.416   1.782   2.847
   74   2HB   CYS  11           HB2      CYS  11  -8.451   3.494   2.585
   75    H    SER  12           HN       SER  12  -7.690   0.565   4.426
   76    HA   SER  12           HA       SER  12  -5.551   0.511   6.505
   77   1HB   SER  12           HB1      SER  12  -6.309  -1.813   7.013
   78   2HB   SER  12           HB2      SER  12  -7.709  -0.731   7.121
   79    HG   SER  12           HG1      SER  12  -8.516  -1.764   5.498
   80    H    LEU  13           HN       LEU  13  -4.473  -1.745   6.157
   81    HA   LEU  13           HA       LEU  13  -3.406  -1.795   3.360
   82   1HB   LEU  13           HB1      LEU  13  -1.304  -2.491   4.281
   83   2HB   LEU  13           HB2      LEU  13  -1.852  -1.199   5.307
   84    HG   LEU  13           HG       LEU  13  -1.928  -4.173   5.989
   85   1HD1  LEU  13          HD12      LEU  13   0.311  -3.131   6.073
   86   2HD1  LEU  13          HD11      LEU  13  -0.305  -1.853   7.103
   87   3HD1  LEU  13          HD13      LEU  13  -0.248  -3.508   7.693
   88   1HD2  LEU  13          HD22      LEU  13  -2.841  -1.815   7.703
   89   2HD2  LEU  13          HD21      LEU  13  -3.877  -3.090   7.062
   90   3HD2  LEU  13          HD23      LEU  13  -2.663  -3.473   8.254
   91    OH   TYR  14           OH       TYR  14 -10.629  -9.575   4.725
   92    H    TYR  14           HN       TYR  14  -5.817  -3.014   4.445
   93    HA   TYR  14           HA       TYR  14  -5.386  -5.938   4.110
   94   1HB   TYR  14           HB1      TYR  14  -6.531  -5.255   6.222
   95   2HB   TYR  14           HB2      TYR  14  -7.652  -4.258   5.321
   96    HD1  TYR  14           HD1      TYR  14  -9.252  -5.406   3.664
   97    HD2  TYR  14           HD2      TYR  14  -7.008  -7.575   6.565
   98    HE1  TYR  14           HE1      TYR  14 -10.779  -7.303   3.429
   99    HE2  TYR  14           HE2      TYR  14  -8.542  -9.470   6.322
  100    HH   TYR  14           HH       TYR  14 -10.782  -9.945   5.597
  101    H    GLN  15           HN       GLN  15  -7.135  -3.059   3.084
  102    HA   GLN  15           HA       GLN  15  -8.711  -4.289   1.016
  103   1HB   GLN  15           HB1      GLN  15  -7.515  -1.455   1.266
  104   2HB   GLN  15           HB2      GLN  15  -8.698  -1.856   0.045
  105   1HG   GLN  15           HG2      GLN  15  -9.185  -2.124   3.042
  106   2HG   GLN  15           HG1      GLN  15  -9.719  -0.769   2.058
  107   1HE2  GLN  15          HE21      GLN  15 -11.981  -4.048   2.184
  108   2HE2  GLN  15          HE22      GLN  15 -10.724  -3.722   3.278
  109    H    LEU  16           HN       LEU  16  -5.864  -2.261   0.509
  110    HA   LEU  16           HA       LEU  16  -5.197  -3.537  -1.944
  111   1HB   LEU  16           HB1      LEU  16  -3.918  -1.424  -0.282
  112   2HB   LEU  16           HB2      LEU  16  -2.876  -2.210  -1.421
  113    HG   LEU  16           HG       LEU  16  -3.747  -0.261  -2.484
  114   1HD1  LEU  16          HD12      LEU  16  -3.273  -1.721  -4.036
  115   2HD1  LEU  16          HD11      LEU  16  -4.874  -2.359  -3.956
  116   3HD1  LEU  16          HD13      LEU  16  -4.652  -0.731  -4.447
  117   1HD2  LEU  16          HD22      LEU  16  -6.495  -1.264  -1.679
  118   2HD2  LEU  16          HD21      LEU  16  -5.670   0.137  -1.093
  119   3HD2  LEU  16          HD23      LEU  16  -6.210   0.097  -2.751
  120    H    GLU  17           HN       GLU  17  -5.282  -5.491   0.002
  121    HA   GLU  17           HA       GLU  17  -2.530  -6.547   0.334
  122   1HB   GLU  17           HB1      GLU  17  -3.964  -6.320   2.419
  123   2HB   GLU  17           HB2      GLU  17  -5.190  -7.284   1.614
  124   1HG   GLU  17           HG2      GLU  17  -3.849  -9.238   1.578
  125   2HG   GLU  17           HG1      GLU  17  -2.484  -8.421   2.324
  126    H    ASN  18           HN       ASN  18  -5.810  -7.084  -0.546
  127    HA   ASN  18           HA       ASN  18  -5.302  -9.589  -1.996
  128   1HB   ASN  18           HB1      ASN  18  -7.472  -8.983  -0.658
  129   2HB   ASN  18           HB2      ASN  18  -7.858  -7.937  -2.003
  130   1HD2  ASN  18          HD21      ASN  18  -7.627 -11.587  -3.652
  131   2HD2  ASN  18          HD22      ASN  18  -6.222 -10.753  -3.210
  132    OH   TYR  19           OH       TYR  19 -10.473  -4.028  -1.755
  133    H    TYR  19           HN       TYR  19  -5.027  -6.311  -2.566
  134    HA   TYR  19           HA       TYR  19  -5.628  -6.411  -5.474
  135   1HB   TYR  19           HB1      TYR  19  -4.777  -4.204  -3.593
  136   2HB   TYR  19           HB2      TYR  19  -5.285  -3.720  -5.118
  137    HD1  TYR  19           HD1      TYR  19  -7.583  -6.413  -4.304
  138    HD2  TYR  19           HD2      TYR  19  -6.502  -2.498  -3.101
  139    HE1  TYR  19           HE1      TYR  19  -9.707  -6.153  -3.126
  140    HE2  TYR  19           HE2      TYR  19  -8.460  -2.231  -1.921
  141    HH   TYR  19           HH       TYR  19 -10.528  -4.733  -1.106
  142    H    CYS  20           HN       CYS  20  -3.306  -7.562  -3.731
  143    HA   CYS  20           HA       CYS  20  -1.138  -6.917  -5.647
  144   1HB   CYS  20           HB1      CYS  20  -0.601  -5.653  -3.592
  145   2HB   CYS  20           HB2      CYS  20  -0.807  -7.091  -2.618
  146    H    ASN  21           HN       ASN  21  -1.990  -8.961  -2.974
  147    HA   ASN  21           HA       ASN  21  -0.940 -11.353  -4.430
  148   1HB   ASN  21           HB1      ASN  21   0.424 -10.718  -2.447
  149   2HB   ASN  21           HB2      ASN  21  -0.990 -10.826  -1.415
  150   1HD2  ASN  21          HD21      ASN  21  -0.520 -14.277  -0.941
  151   2HD2  ASN  21          HD22      ASN  21  -1.162 -12.814  -0.367
  152   1H    PHE   1           HT1      PHE  22  -0.496   8.826  15.508
  153   2H    PHE   1           HT3      PHE  22   0.416   7.465  15.067
  154   3H    PHE   1           HT2      PHE  22   1.193   8.935  15.406
  155    HA   PHE   1           HA       PHE  22   1.066   9.531  13.308
  156   1HB   PHE   1           HB1      PHE  22   1.169   7.039  12.905
  157   2HB   PHE   1           HB2      PHE  22  -0.584   6.971  12.916
  158    HD1  PHE   1           HD2      PHE  22   2.006   9.163  11.259
  159    HD2  PHE   1           HD1      PHE  22  -1.494   6.777  10.770
  160    HE1  PHE   1           HE2      PHE  22   1.960   9.710   8.870
  161    HE2  PHE   1           HE1      PHE  22  -1.529   7.325   8.382
  162    HZ   PHE   1           HZ       PHE  22   0.195   8.793   7.426
  163    H    VAL   2           HN       VAL  23  -0.681   9.901  11.405
  164    HA   VAL   2           HA       VAL  23  -3.115  11.082  12.648
  165    HB   VAL   2           HB       VAL  23  -2.973  12.753  10.759
  166   1HG1  VAL   2          HG11      VAL  23  -0.456  12.533  12.464
  167   2HG1  VAL   2          HG13      VAL  23  -1.013  13.985  11.650
  168   3HG1  VAL   2          HG12      VAL  23  -1.967  13.292  12.949
  169   1HG2  VAL   2          HG21      VAL  23  -1.714  11.306   9.138
  170   2HG2  VAL   2          HG23      VAL  23  -0.908  12.843   9.393
  171   3HG2  VAL   2          HG22      VAL  23  -0.293  11.393  10.166
  172    H    ASN   3           HN       ASN  24  -4.588  11.655  10.728
  173    HA   ASN   3           HA       ASN  24  -5.273   9.182   9.177
  174   1HB   ASN   3           HB1      ASN  24  -7.081  11.228  10.572
  175   2HB   ASN   3           HB2      ASN  24  -7.692  10.031   9.441
  176   1HD2  ASN   3          HD21      ASN  24  -7.962   7.630  11.966
  177   2HD2  ASN   3          HD22      ASN  24  -8.538   8.277  10.507
  178    H    GLN   4           HN       GLN  25  -3.989   9.995   7.507
  179    HA   GLN   4           HA       GLN  25  -5.007  12.415   6.123
  180   1HB   GLN   4           HB1      GLN  25  -2.452  11.815   7.023
  181   2HB   GLN   4           HB2      GLN  25  -2.354  11.192   5.395
  182   1HG   GLN   4           HG2      GLN  25  -3.291  14.030   5.945
  183   2HG   GLN   4           HG1      GLN  25  -1.591  13.642   5.815
  184   1HE2  GLN   4          HE21      GLN  25  -1.671  13.165   2.293
  185   2HE2  GLN   4          HE22      GLN  25  -0.832  12.767   3.714
  186    H    HIS   5           HN       HIS  26  -4.337  12.089   3.698
  187    HA   HIS   5           HA       HIS  26  -5.724   9.656   2.738
  188   1HB   HIS   5           HB1      HIS  26  -5.377  12.428   1.508
  189   2HB   HIS   5           HB2      HIS  26  -6.228  11.090   0.731
  190    HD1  HIS   5           HD1      HIS  26  -8.040  10.017   2.516
  191    HD2  HIS   5           HD2      HIS  26  -7.168  13.953   3.046
  192    HE1  HIS   5           HE1      HIS  26  -9.879  10.927   3.859
  193    H    LEU   6           HN       LEU  27  -4.940   8.481   1.301
  194    HA   LEU   6           HA       LEU  27  -2.108   8.742   0.401
  195   1HB   LEU   6           HB1      LEU  27  -3.745   6.206   0.952
  196   2HB   LEU   6           HB2      LEU  27  -2.071   6.236   0.486
  197    HG   LEU   6           HG       LEU  27  -2.054   5.783   2.798
  198   1HD1  LEU   6          HD11      LEU  27  -1.524   8.766   2.600
  199   2HD1  LEU   6          HD13      LEU  27  -1.023   7.723   3.915
  200   3HD1  LEU   6          HD12      LEU  27  -0.378   7.471   2.309
  201   1HD2  LEU   6          HD21      LEU  27  -4.373   6.270   3.365
  202   2HD2  LEU   6          HD23      LEU  27  -3.291   6.999   4.534
  203   3HD2  LEU   6          HD22      LEU  27  -4.071   7.994   3.332
  204    H    CYS   7           HN       CYS  28  -2.682   9.770  -1.541
  205    HA   CYS   7           HA       CYS  28  -4.382   8.154  -3.396
  206   1HB   CYS   7           HB1      CYS  28  -5.331  10.313  -2.459
  207   2HB   CYS   7           HB2      CYS  28  -4.204  11.139  -3.496
  208    H    GLY   8           HN       GLY  29  -1.686  10.511  -3.536
  209   1HA   GLY   8           HA1      GLY  29  -1.173   9.576  -6.339
  210   2HA   GLY   8           HA2      GLY  29  -0.691  11.121  -5.699
  211    H    SER   9           HN       SER  30  -0.107   7.738  -5.532
  212    HA   SER   9           HA       SER  30   2.056   6.702  -5.892
  213   1HB   SER   9           HB1      SER  30   4.127   7.571  -4.831
  214   2HB   SER   9           HB2      SER  30   3.397   8.935  -5.676
  215    HG   SER   9           HG1      SER  30   3.561   8.342  -2.971
  216    H    HIS  10           HN       HIS  31   0.621   8.041  -3.102
  217    HA   HIS  10           HA       HIS  31   1.603   6.135  -1.164
  218   1HB   HIS  10           HB1      HIS  31  -0.767   8.033  -1.132
  219   2HB   HIS  10           HB2      HIS  31  -0.167   7.152   0.271
  220    HD1  HIS  10           HD1      HIS  31   1.591   9.284  -2.311
  221    HD2  HIS  10           HD2      HIS  31   1.422   8.807   1.738
  222    HE1  HIS  10           HE1      HIS  31   3.170  10.906  -1.362
  223    H    LEU  11           HN       LEU  32  -0.145   5.473  -3.727
  224    HA   LEU  11           HA       LEU  32  -2.131   3.623  -2.483
  225   1HB   LEU  11           HB1      LEU  32  -1.524   4.248  -5.434
  226   2HB   LEU  11           HB2      LEU  32  -2.826   3.223  -4.877
  227    HG   LEU  11           HG       LEU  32  -2.591   6.201  -4.256
  228   1HD1  LEU  11          HD11      LEU  32  -4.311   4.713  -6.305
  229   2HD1  LEU  11          HD13      LEU  32  -4.418   6.428  -5.966
  230   3HD1  LEU  11          HD12      LEU  32  -2.963   5.768  -6.687
  231   1HD2  LEU  11          HD22      LEU  32  -4.917   4.248  -3.907
  232   2HD2  LEU  11          HD21      LEU  32  -3.963   4.913  -2.592
  233   3HD2  LEU  11          HD23      LEU  32  -4.972   5.966  -3.566
  234    H    VAL  12           HN       VAL  33   0.440   3.885  -4.850
  235    HA   VAL  12           HA       VAL  33   1.104   1.152  -5.164
  236    HB   VAL  12           HB       VAL  33   3.056   3.546  -5.176
  237   1HG1  VAL  12          HG11      VAL  33   3.235   0.861  -6.585
  238   2HG1  VAL  12          HG13      VAL  33   4.383   2.181  -6.774
  239   3HG1  VAL  12          HG12      VAL  33   4.197   1.406  -5.217
  240   1HG2  VAL  12          HG21      VAL  33   1.170   3.986  -6.705
  241   2HG2  VAL  12          HG23      VAL  33   2.667   3.731  -7.586
  242   3HG2  VAL  12          HG22      VAL  33   1.461   2.452  -7.514
  243    H    GLU  13           HN       GLU  34   2.693   3.579  -3.077
  244    HA   GLU  13           HA       GLU  34   4.292   1.762  -1.681
  245   1HB   GLU  13           HB1      GLU  34   2.905   4.219  -0.484
  246   2HB   GLU  13           HB2      GLU  34   4.330   3.382   0.146
  247   1HG   GLU  13           HG2      GLU  34   5.695   4.079  -1.700
  248   2HG   GLU  13           HG1      GLU  34   4.330   4.584  -2.669
  249    H    ALA  14           HN       ALA  35   1.055   2.850  -0.700
  250    HA   ALA  14           HA       ALA  35   0.723   1.342   1.613
  251   1HB   ALA  14           HB1      ALA  35  -1.379   1.949  -0.517
  252   2HB   ALA  14           HB3      ALA  35  -1.731   1.459   1.134
  253   3HB   ALA  14           HB2      ALA  35  -0.938   2.992   0.830
  254    H    LEU  15           HN       LEU  36  -0.173   0.202  -1.627
  255    HA   LEU  15           HA       LEU  36  -0.874  -2.460  -0.669
  256   1HB   LEU  15           HB1      LEU  36  -1.406  -2.829  -3.026
  257   2HB   LEU  15           HB2      LEU  36  -1.620  -1.114  -2.828
  258    HG   LEU  15           HG       LEU  36   0.873  -1.004  -3.685
  259   1HD1  LEU  15          HD12      LEU  36   1.227  -3.486  -3.686
  260   2HD1  LEU  15          HD11      LEU  36  -0.093  -3.647  -4.828
  261   3HD1  LEU  15          HD13      LEU  36   1.374  -2.807  -5.291
  262   1HD2  LEU  15          HD21      LEU  36  -1.127  -0.066  -4.855
  263   2HD2  LEU  15          HD23      LEU  36  -0.008  -0.805  -5.987
  264   3HD2  LEU  15          HD22      LEU  36  -1.470  -1.657  -5.518
  265    OH   TYR  16           OH       TYR  37   7.915   2.643  -1.852
  266    H    TYR  16           HN       TYR  37   2.023  -0.961  -1.860
  267    HA   TYR  16           HA       TYR  37   3.379  -3.531  -1.895
  268   1HB   TYR  16           HB1      TYR  37   4.818  -2.390  -3.282
  269   2HB   TYR  16           HB2      TYR  37   3.571  -1.224  -3.288
  270    HD1  TYR  16           HD2      TYR  37   5.575  -0.781  -0.158
  271    HD2  TYR  16           HD1      TYR  37   5.237   0.001  -4.336
  272    HE1  TYR  16           HE2      TYR  37   7.091   1.001   0.061
  273    HE2  TYR  16           HE1      TYR  37   6.745   1.877  -4.110
  274    HH   TYR  16           HH       TYR  37   8.272   2.610  -0.962
  275    H    LEU  17           HN       LEU  38   2.334  -1.464   0.440
  276    HA   LEU  17           HA       LEU  38   4.598  -1.597   2.304
  277   1HB   LEU  17           HB1      LEU  38   2.403   0.087   2.128
  278   2HB   LEU  17           HB2      LEU  38   1.752  -1.091   3.230
  279    HG   LEU  17           HG       LEU  38   4.372   0.399   3.707
  280   1HD1  LEU  17          HD11      LEU  38   1.579   0.942   4.827
  281   2HD1  LEU  17          HD13      LEU  38   3.047   1.771   5.320
  282   3HD1  LEU  17          HD12      LEU  38   2.440   1.962   3.688
  283   1HD2  LEU  17          HD22      LEU  38   2.640  -1.267   5.583
  284   2HD2  LEU  17          HD21      LEU  38   4.210  -1.744   4.951
  285   3HD2  LEU  17          HD23      LEU  38   4.087  -0.386   6.045
  286    H    VAL  18           HN       VAL  39   1.901  -3.354   1.139
  287    HA   VAL  18           HA       VAL  39   1.865  -5.361   3.289
  288    HB   VAL  18           HB       VAL  39   0.356  -5.387   0.603
  289   1HG1  VAL  18          HG11      VAL  39  -0.197  -6.686   3.308
  290   2HG1  VAL  18          HG13      VAL  39  -1.194  -6.859   1.877
  291   3HG1  VAL  18          HG12      VAL  39   0.425  -7.536   1.899
  292   1HG2  VAL  18          HG22      VAL  39  -0.586  -4.224   3.243
  293   2HG2  VAL  18          HG21      VAL  39  -0.175  -3.286   1.815
  294   3HG2  VAL  18          HG23      VAL  39  -1.551  -4.371   1.780
  295    H    CYS  19           HN       CYS  40   2.704  -4.865  -0.032
  296    HA   CYS  19           HA       CYS  40   4.306  -7.409  -0.087
  297   1HB   CYS  19           HB1      CYS  40   3.175  -5.761  -2.336
  298   2HB   CYS  19           HB2      CYS  40   4.236  -7.118  -2.576
  299    H    GLY  20           HN       GLY  41   4.640  -4.632  -2.108
  300   1HA   GLY  20           HA1      GLY  41   6.409  -3.394  -2.915
  301   2HA   GLY  20           HA2      GLY  41   6.851  -3.173  -1.248
  302    H    GLU  21           HN       GLU  42   7.195  -6.425  -2.194
  303    HA   GLU  21           HA       GLU  42  10.035  -5.987  -3.068
  304   1HB   GLU  21           HB1      GLU  42   9.029  -8.152  -1.146
  305   2HB   GLU  21           HB2      GLU  42  10.687  -7.944  -1.659
  306   1HG   GLU  21           HG2      GLU  42   9.100  -5.922  -0.006
  307   2HG   GLU  21           HG1      GLU  42  10.272  -7.043   0.636
  308    NH1  ARG  22           NH2      ARG  43   6.098  -9.120  -1.023
  309    NH2  ARG  22           NH1      ARG  43   6.567 -11.252  -1.688
  310    H    ARG  22           HN       ARG  43   8.027  -6.213  -4.863
  311    HA   ARG  22           HA       ARG  43   8.214  -9.031  -5.882
  312   1HB   ARG  22           HB1      ARG  43   5.948  -7.096  -6.513
  313   2HB   ARG  22           HB2      ARG  43   6.012  -8.806  -6.860
  314   1HG   ARG  22           HG2      ARG  43   5.932  -7.590  -4.070
  315   2HG   ARG  22           HG1      ARG  43   4.556  -8.268  -4.917
  316   1HD   ARG  22           HD2      ARG  43   5.644 -10.488  -4.962
  317   2HD   ARG  22           HD1      ARG  43   7.055  -9.833  -4.132
  318    HE   ARG  22           HE       ARG  43   4.317  -9.886  -2.923
  319   1HH1  ARG  22          HH22      ARG  43   5.650  -8.244  -1.204
  320   2HH1  ARG  22          HH21      ARG  43   6.625  -9.245  -0.183
  321   1HH2  ARG  22          HH12      ARG  43   6.469 -11.976  -2.370
  322   2HH2  ARG  22          HH11      ARG  43   7.104 -11.411  -0.859
  323    H    GLY  23           HN       GLY  44   7.219  -6.004  -7.231
  324   1HA   GLY  23           HA1      GLY  44   9.075  -6.365  -9.570
  325   2HA   GLY  23           HA2      GLY  44   7.506  -5.563  -9.659
  326    H    GLY  24           HN       GLY  45  10.032  -5.412  -7.341
  327   1HA   GLY  24           HA1      GLY  45  10.410  -2.460  -7.747
  328   2HA   GLY  24           HA2      GLY  45  10.445  -3.234  -6.155
  329    H    PHE  25           HN       PHE  46  12.592  -1.983  -6.439
  330    HA   PHE  25           HA       PHE  46  14.677  -3.815  -7.589
  331   1HB   PHE  25           HB1      PHE  46  14.234  -1.210  -8.289
  332   2HB   PHE  25           HB2      PHE  46  15.194  -0.911  -6.857
  333    HD1  PHE  25           HD2      PHE  46  15.163  -2.471 -10.189
  334    HD2  PHE  25           HD1      PHE  46  17.613  -1.411  -6.864
  335    HE1  PHE  25           HE2      PHE  46  17.163  -2.920 -11.526
  336    HE2  PHE  25           HE1      PHE  46  19.617  -1.861  -8.213
  337    HZ   PHE  25           HZ       PHE  46  19.395  -2.618 -10.543
  338    OH   TYR  26           OH       TYR  47  18.460  -9.428  -4.608
  339    H    TYR  26           HN       TYR  47  13.439  -4.510  -5.546
  340    HA   TYR  26           HA       TYR  47  13.385  -4.201  -3.028
  341   1HB   TYR  26           HB1      TYR  47  13.428  -6.511  -2.729
  342   2HB   TYR  26           HB2      TYR  47  13.163  -6.353  -4.447
  343    HD1  TYR  26           HD1      TYR  47  15.713  -6.001  -5.703
  344    HD2  TYR  26           HD2      TYR  47  14.806  -8.282  -2.216
  345    HE1  TYR  26           HE1      TYR  47  17.677  -7.398  -6.098
  346    HE2  TYR  26           HE2      TYR  47  16.770  -9.678  -2.619
  347    HH   TYR  26           HH       TYR  47  18.401 -10.187  -4.022
  348    H    THR  27           HN       THR  48  14.440  -5.235  -1.202
  349    HA   THR  27           HA       THR  48  17.248  -4.254  -0.923
  350    HB   THR  27           HB       THR  48  16.584  -3.925   1.557
  351    HG1  THR  27           HG1      THR  48  14.388  -5.162   0.453
  352   1HG2  THR  27          HG22      THR  48  16.366  -1.979  -0.123
  353   2HG2  THR  27          HG21      THR  48  14.726  -2.521  -0.445
  354   3HG2  THR  27          HG23      THR  48  15.162  -1.939   1.153
  355    HA   PRO  28           HA       PRO  49  18.352  -8.375  -0.768
  356   1HB   PRO  28           HB1      PRO  49  20.780  -8.308   0.498
  357   2HB   PRO  28           HB2      PRO  49  20.506  -7.574  -1.083
  358   1HG   PRO  28           HG2      PRO  49  20.305  -6.206   1.660
  359   2HG   PRO  28           HG1      PRO  49  21.310  -5.723   0.288
  360   1HD   PRO  28           HD1      PRO  49  18.913  -4.565   0.588
  361   2HD   PRO  28           HD2      PRO  49  19.372  -5.112  -1.044
  362    H    LYS  29           HN       LYS  50  16.545  -9.021   0.575
  363    HA   LYS  29           HA       LYS  50  17.406 -10.055   3.254
  364   1HB   LYS  29           HB1      LYS  50  14.805  -8.877   2.300
  365   2HB   LYS  29           HB2      LYS  50  14.808  -9.941   3.693
  366   1HG   LYS  29           HG2      LYS  50  16.435  -8.519   4.861
  367   2HG   LYS  29           HG1      LYS  50  16.597  -7.474   3.469
  368   1HD   LYS  29           HD2      LYS  50  13.910  -7.863   4.844
  369   2HD   LYS  29           HD1      LYS  50  15.069  -6.691   5.439
  370   1HE   LYS  29           HE2      LYS  50  13.617  -5.485   3.949
  371   2HE   LYS  29           HE1      LYS  50  15.126  -5.708   3.083
  372   1HZ   LYS  29           HZ1      LYS  50  13.404  -7.893   2.608
  373   2HZ   LYS  29           HZ3      LYS  50  12.592  -6.445   2.274
  374   3HZ   LYS  29           HZ2      LYS  50  14.076  -6.790   1.509
  375    H    THR  30           HN       THR  51  16.580 -12.030   3.875
  376    HA   THR  30           HA       THR  51  15.601 -13.820   1.679
  377    HB   THR  30           HB       THR  51  17.055 -15.634   2.830
  378    HG1  THR  30           HG1      THR  51  17.751 -14.980   4.688
  379   1HG2  THR  30          HG22      THR  51  17.970 -14.303   0.811
  380   2HG2  THR  30          HG21      THR  51  18.619 -13.133   1.945
  381   3HG2  THR  30          HG23      THR  51  19.209 -14.788   1.951
   
 Raw file had 381 H/Q atoms
  Start of MODEL    3
    1   1H    GLY   1           HT1      GLY   1 -13.479  -5.941   5.989
    2   2H    GLY   1           HT3      GLY   1 -13.405  -7.539   5.417
    3   3H    GLY   1           HT2      GLY   1 -13.629  -7.239   7.074
    4   1HA   GLY   1           HA1      GLY   1 -11.468  -7.283   7.404
    5   2HA   GLY   1           HA2      GLY   1 -11.234  -7.578   5.681
    6    H    ILE   2           HN       ILE   2  -9.309  -6.260   6.725
    7    HA   ILE   2           HA       ILE   2  -9.729  -3.337   6.270
    8    HB   ILE   2           HB       ILE   2  -7.730  -2.987   7.634
    9   1HG1  ILE   2          HG12      ILE   2  -7.415  -6.013   7.432
   10   2HG1  ILE   2          HG11      ILE   2  -6.287  -4.794   6.922
   11   1HG2  ILE   2          HG22      ILE   2  -9.843  -3.335   8.866
   12   2HG2  ILE   2          HG21      ILE   2  -9.515  -5.059   8.971
   13   3HG2  ILE   2          HG23      ILE   2  -8.485  -3.907   9.808
   14   1HD1  ILE   2           HD2      ILE   2  -5.823  -4.164   9.268
   15   2HD1  ILE   2           HD1      ILE   2  -6.956  -5.379   9.830
   16   3HD1  ILE   2           HD3      ILE   2  -5.501  -5.864   8.990
   17    H    VAL   3           HN       VAL   3  -8.240  -6.155   5.191
   18    HA   VAL   3           HA       VAL   3  -6.512  -4.767   3.199
   19    HB   VAL   3           HB       VAL   3  -5.827  -6.665   4.890
   20   1HG1  VAL   3          HG12      VAL   3  -7.528  -8.295   4.431
   21   2HG1  VAL   3          HG11      VAL   3  -7.017  -8.420   2.749
   22   3HG1  VAL   3          HG13      VAL   3  -5.956  -8.966   4.033
   23   1HG2  VAL   3          HG21      VAL   3  -4.301  -5.772   3.147
   24   2HG2  VAL   3          HG23      VAL   3  -4.109  -7.513   3.249
   25   3HG2  VAL   3          HG22      VAL   3  -5.048  -6.808   1.944
   26    H    GLU   4           HN       GLU   4  -9.136  -6.829   3.787
   27    HA   GLU   4           HA       GLU   4  -9.753  -7.293   0.883
   28   1HB   GLU   4           HB1      GLU   4 -11.178  -8.263   3.410
   29   2HB   GLU   4           HB2      GLU   4 -11.633  -8.709   1.777
   30   1HG   GLU   4           HG2      GLU   4  -9.363  -9.722   1.438
   31   2HG   GLU   4           HG1      GLU   4  -8.974  -9.348   3.112
   32    H    GLN   5           HN       GLN   5  -9.702  -4.757   1.994
   33    HA   GLN   5           HA       GLN   5 -12.507  -3.757   1.890
   34   1HB   GLN   5           HB1      GLN   5 -11.017  -3.200   3.919
   35   2HB   GLN   5           HB2      GLN   5  -9.958  -2.360   2.832
   36   1HG   GLN   5           HG2      GLN   5 -11.435  -0.688   3.811
   37   2HG   GLN   5           HG1      GLN   5 -11.914  -0.878   2.132
   38   1HE2  GLN   5          HE21      GLN   5 -15.219  -1.585   3.131
   39   2HE2  GLN   5          HE22      GLN   5 -14.213  -0.846   1.997
   40    H    CYS   6           HN       CYS   6  -9.216  -3.354   0.987
   41    HA   CYS   6           HA       CYS   6  -9.427  -1.388  -1.053
   42   1HB   CYS   6           HB1      CYS   6  -7.331  -3.540  -0.929
   43   2HB   CYS   6           HB2      CYS   6  -7.160  -1.909  -1.532
   44    H    CYS   7           HN       CYS   7  -9.478  -4.924  -1.395
   45    HA   CYS   7           HA       CYS   7  -9.844  -4.622  -4.337
   46   1HB   CYS   7           HB1      CYS   7  -8.144  -6.200  -3.414
   47   2HB   CYS   7           HB2      CYS   7  -9.419  -7.078  -2.636
   48    H    THR   8           HN       THR   8 -11.979  -4.077  -2.276
   49    HA   THR   8           HA       THR   8 -14.132  -5.670  -3.591
   50    HB   THR   8           HB       THR   8 -13.491  -6.623  -1.177
   51    HG1  THR   8           HG1      THR   8 -16.094  -5.934  -0.984
   52   1HG2  THR   8          HG21      THR   8 -15.161  -4.192  -0.302
   53   2HG2  THR   8          HG23      THR   8 -14.594  -5.496   0.715
   54   3HG2  THR   8          HG22      THR   8 -13.448  -4.355   0.044
   55    H    SER   9           HN       SER   9 -13.228  -3.161  -1.446
   56    HA   SER   9           HA       SER   9 -15.049  -1.108  -2.589
   57   1HB   SER   9           HB1      SER   9 -15.737  -1.873  -0.256
   58   2HB   SER   9           HB2      SER   9 -14.114  -1.488   0.321
   59    HG   SER   9           HG1      SER   9 -16.193   0.149  -0.060
   60    H    ILE  10           HN       ILE  10 -13.663   0.945  -1.093
   61    HA   ILE  10           HA       ILE  10 -10.955   0.852  -2.394
   62    HB   ILE  10           HB       ILE  10 -12.646   3.296  -1.711
   63   1HG1  ILE  10          HG12      ILE  10 -13.755   1.984  -3.510
   64   2HG1  ILE  10          HG11      ILE  10 -13.154   3.515  -4.100
   65   1HG2  ILE  10          HG21      ILE  10 -10.100   3.080  -3.387
   66   2HG2  ILE  10          HG23      ILE  10 -11.087   4.523  -3.162
   67   3HG2  ILE  10          HG22      ILE  10 -10.248   3.826  -1.804
   68   1HD1  ILE  10           HD1      ILE  10 -11.736   0.842  -4.471
   69   2HD1  ILE  10           HD3      ILE  10 -12.666   1.691  -5.697
   70   3HD1  ILE  10           HD2      ILE  10 -11.179   2.385  -5.087
   71    H    CYS  11           HN       CYS  11  -9.254   1.831  -1.318
   72    HA   CYS  11           HA       CYS  11  -9.498   2.141   1.649
   73   1HB   CYS  11           HB1      CYS  11  -7.322   0.771   0.052
   74   2HB   CYS  11           HB2      CYS  11  -7.118   1.205   1.721
   75    H    SER  12           HN       SER  12  -7.250   2.971   2.400
   76    HA   SER  12           HA       SER  12  -6.558   5.449   0.872
   77   1HB   SER  12           HB1      SER  12  -6.160   6.488   3.124
   78   2HB   SER  12           HB2      SER  12  -7.796   5.811   3.111
   79    HG   SER  12           HG1      SER  12  -6.067   3.864   3.716
   80    H    LEU  13           HN       LEU  13  -4.330   6.138   2.142
   81    HA   LEU  13           HA       LEU  13  -2.464   3.836   1.676
   82   1HB   LEU  13           HB1      LEU  13  -2.011   6.862   1.626
   83   2HB   LEU  13           HB2      LEU  13  -0.728   5.692   1.448
   84    HG   LEU  13           HG       LEU  13  -1.326   6.570  -0.732
   85   1HD1  LEU  13          HD12      LEU  13  -0.645   4.206  -0.680
   86   2HD1  LEU  13          HD11      LEU  13  -2.318   3.703  -0.477
   87   3HD1  LEU  13          HD13      LEU  13  -1.808   4.488  -1.962
   88   1HD2  LEU  13          HD21      LEU  13  -3.660   7.255  -0.322
   89   2HD2  LEU  13          HD23      LEU  13  -3.537   6.265  -1.766
   90   3HD2  LEU  13          HD22      LEU  13  -4.168   5.572  -0.295
   91    OH   TYR  14           OH       TYR  14  -3.793   5.769  12.161
   92    H    TYR  14           HN       TYR  14  -4.159   4.764   4.084
   93    HA   TYR  14           HA       TYR  14  -1.977   5.039   6.052
   94   1HB   TYR  14           HB1      TYR  14  -3.533   6.915   6.136
   95   2HB   TYR  14           HB2      TYR  14  -4.922   5.841   6.136
   96    HD1  TYR  14           HD1      TYR  14  -1.743   6.215   8.150
   97    HD2  TYR  14           HD2      TYR  14  -5.962   5.599   8.205
   98    HE1  TYR  14           HE1      TYR  14  -1.706   6.132  10.597
   99    HE2  TYR  14           HE2      TYR  14  -5.915   5.514  10.648
  100    HH   TYR  14           HH       TYR  14  -2.901   5.967  12.454
  101    H    GLN  15           HN       GLN  15  -5.057   3.334   5.514
  102    HA   GLN  15           HA       GLN  15  -4.957   1.707   7.865
  103   1HB   GLN  15           HB1      GLN  15  -6.032   0.862   5.106
  104   2HB   GLN  15           HB2      GLN  15  -6.542   0.201   6.641
  105   1HG   GLN  15           HG2      GLN  15  -6.999   3.045   5.673
  106   2HG   GLN  15           HG1      GLN  15  -8.210   1.806   5.892
  107   1HE2  GLN  15          HE21      GLN  15  -7.447   2.222   9.648
  108   2HE2  GLN  15          HE22      GLN  15  -7.020   0.948   8.627
  109    H    LEU  16           HN       LEU  16  -4.175   0.315   4.631
  110    HA   LEU  16           HA       LEU  16  -2.706  -1.747   5.614
  111   1HB   LEU  16           HB1      LEU  16  -2.871  -0.511   3.021
  112   2HB   LEU  16           HB2      LEU  16  -1.259  -1.118   3.269
  113    HG   LEU  16           HG       LEU  16  -2.444  -3.025   2.361
  114   1HD1  LEU  16          HD12      LEU  16  -1.172  -3.827   4.148
  115   2HD1  LEU  16          HD11      LEU  16  -2.663  -3.800   5.063
  116   3HD1  LEU  16          HD13      LEU  16  -2.571  -4.763   3.659
  117   1HD2  LEU  16          HD22      LEU  16  -4.718  -2.294   4.235
  118   2HD2  LEU  16          HD21      LEU  16  -4.685  -2.051   2.515
  119   3HD2  LEU  16          HD23      LEU  16  -4.696  -3.676   3.154
  120    H    GLU  17           HN       GLU  17  -1.583   1.473   5.706
  121    HA   GLU  17           HA       GLU  17   1.264   0.979   5.675
  122   1HB   GLU  17           HB1      GLU  17   0.457   3.182   5.147
  123   2HB   GLU  17           HB2      GLU  17  -0.452   3.307   6.625
  124   1HG   GLU  17           HG2      GLU  17   1.707   4.668   6.537
  125   2HG   GLU  17           HG1      GLU  17   1.479   3.675   7.959
  126    H    ASN  18           HN       ASN  18  -1.127   0.395   7.914
  127    HA   ASN  18           HA       ASN  18   0.718   0.141  10.231
  128   1HB   ASN  18           HB1      ASN  18  -2.259   0.670   9.905
  129   2HB   ASN  18           HB2      ASN  18  -1.621   0.162  11.452
  130   1HD2  ASN  18          HD21      ASN  18  -1.025   3.969  10.200
  131   2HD2  ASN  18          HD22      ASN  18  -1.831   2.869   9.203
  132    OH   TYR  19           OH       TYR  19  -6.736  -1.044   8.879
  133    H    TYR  19           HN       TYR  19  -0.418  -1.471   7.752
  134    HA   TYR  19           HA       TYR  19  -0.900  -4.099   9.085
  135   1HB   TYR  19           HB1      TYR  19  -1.615  -2.988   6.423
  136   2HB   TYR  19           HB2      TYR  19  -2.116  -4.557   6.675
  137    HD1  TYR  19           HD1      TYR  19  -2.642  -2.708   9.823
  138    HD2  TYR  19           HD2      TYR  19  -4.164  -3.114   5.874
  139    HE1  TYR  19           HE1      TYR  19  -4.694  -1.567  10.468
  140    HE2  TYR  19           HE2      TYR  19  -6.099  -1.983   6.449
  141    HH   TYR  19           HH       TYR  19  -6.659  -0.765   9.794
  142    H    CYS  20           HN       CYS  20   1.297  -2.257   7.512
  143    HA   CYS  20           HA       CYS  20   2.833  -2.892   5.687
  144   1HB   CYS  20           HB1      CYS  20   3.856  -3.321   8.482
  145   2HB   CYS  20           HB2      CYS  20   4.876  -3.023   7.101
  146    H    ASN  21           HN       ASN  21   2.880  -5.355   8.122
  147    HA   ASN  21           HA       ASN  21   4.018  -7.326   6.170
  148   1HB   ASN  21           HB1      ASN  21   4.695  -8.621   8.215
  149   2HB   ASN  21           HB2      ASN  21   5.369  -6.999   8.218
  150   1HD2  ASN  21          HD21      ASN  21   2.930  -8.104  11.217
  151   2HD2  ASN  21          HD22      ASN  21   3.502  -9.201  10.055
  152   1H    PHE   1           HT1      PHE  22  -8.095  12.650  -6.236
  153   2H    PHE   1           HT3      PHE  22  -8.700  13.359  -4.818
  154   3H    PHE   1           HT2      PHE  22  -7.024  13.221  -5.050
  155    HA   PHE   1           HA       PHE  22  -6.987  11.273  -4.085
  156   1HB   PHE   1           HB1      PHE  22  -8.988  12.305  -2.857
  157   2HB   PHE   1           HB2      PHE  22 -10.043  11.471  -3.976
  158    HD1  PHE   1           HD1      PHE  22 -10.107   8.917  -3.950
  159    HD2  PHE   1           HD2      PHE  22  -7.966  11.161  -1.025
  160    HE1  PHE   1           HE1      PHE  22 -10.018   6.944  -2.488
  161    HE2  PHE   1           HE2      PHE  22  -7.884   9.188   0.426
  162    HZ   PHE   1           HZ       PHE  22  -8.909   7.075  -0.303
  163    H    VAL   2           HN       VAL  23  -7.408   8.966  -4.433
  164    HA   VAL   2           HA       VAL  23  -8.465   8.354  -7.163
  165    HB   VAL   2           HB       VAL  23  -6.692   6.502  -7.187
  166   1HG1  VAL   2          HG12      VAL  23  -6.395   8.630  -8.434
  167   2HG1  VAL   2          HG11      VAL  23  -5.691   9.384  -7.008
  168   3HG1  VAL   2          HG13      VAL  23  -4.856   8.058  -7.808
  169   1HG2  VAL   2          HG22      VAL  23  -5.549   8.085  -4.829
  170   2HG2  VAL   2          HG21      VAL  23  -6.172   6.445  -4.736
  171   3HG2  VAL   2          HG23      VAL  23  -4.734   6.785  -5.678
  172    H    ASN   3           HN       ASN  24  -9.930   6.911  -7.277
  173    HA   ASN   3           HA       ASN  24 -10.540   5.167  -4.932
  174   1HB   ASN   3           HB1      ASN  24 -12.413   6.427  -6.995
  175   2HB   ASN   3           HB2      ASN  24 -12.937   5.285  -5.764
  176   1HD2  ASN   3          HD21      ASN  24 -12.633   9.136  -4.776
  177   2HD2  ASN   3          HD22      ASN  24 -12.625   8.577  -6.379
  178    H    GLN   4           HN       GLN  25  -8.841   3.898  -6.031
  179    HA   GLN   4           HA       GLN  25 -10.010   2.141  -8.107
  180   1HB   GLN   4           HB1      GLN  25  -8.014   3.642  -8.789
  181   2HB   GLN   4           HB2      GLN  25  -7.050   2.767  -7.620
  182   1HG   GLN   4           HG2      GLN  25  -6.712   1.862  -9.893
  183   2HG   GLN   4           HG1      GLN  25  -7.425   0.635  -8.870
  184   1HE2  GLN   4          HE21      GLN  25 -10.233   0.307 -10.962
  185   2HE2  GLN   4          HE22      GLN  25  -9.259  -0.353  -9.737
  186    H    HIS   5           HN       HIS  26  -9.012   0.015  -8.038
  187    HA   HIS   5           HA       HIS  26  -8.825  -1.013  -5.262
  188   1HB   HIS   5           HB1      HIS  26  -9.616  -2.507  -7.803
  189   2HB   HIS   5           HB2      HIS  26  -9.643  -3.148  -6.170
  190    HD1  HIS   5           HD1      HIS  26 -11.335  -1.729  -4.575
  191    HD2  HIS   5           HD2      HIS  26 -12.016  -1.417  -8.580
  192    HE1  HIS   5           HE1      HIS  26 -13.661  -0.904  -4.825
  193    H    LEU   6           HN       LEU  27  -7.484  -2.563  -4.830
  194    HA   LEU   6           HA       LEU  27  -5.213  -3.293  -6.632
  195   1HB   LEU   6           HB1      LEU  27  -4.987  -2.196  -3.784
  196   2HB   LEU   6           HB2      LEU  27  -3.691  -3.073  -4.562
  197    HG   LEU   6           HG       LEU  27  -4.489  -1.076  -6.457
  198   1HD1  LEU   6          HD12      LEU  27  -5.611   0.133  -4.594
  199   2HD1  LEU   6          HD11      LEU  27  -4.109   0.110  -3.681
  200   3HD1  LEU   6          HD13      LEU  27  -4.213   1.018  -5.179
  201   1HD2  LEU   6          HD22      LEU  27  -2.081  -1.172  -4.587
  202   2HD2  LEU   6          HD21      LEU  27  -2.205  -1.989  -6.134
  203   3HD2  LEU   6          HD23      LEU  27  -2.191  -0.236  -6.069
  204    H    CYS   7           HN       CYS  28  -4.821  -5.431  -6.518
  205    HA   CYS   7           HA       CYS  28  -5.943  -6.994  -4.222
  206   1HB   CYS   7           HB1      CYS  28  -6.045  -7.740  -7.157
  207   2HB   CYS   7           HB2      CYS  28  -6.691  -8.681  -5.835
  208    H    GLY   8           HN       GLY  29  -5.109  -9.451  -4.827
  209   1HA   GLY   8           HA1      GLY  29  -3.239 -10.629  -3.981
  210   2HA   GLY   8           HA2      GLY  29  -3.025 -10.562  -5.708
  211    H    SER   9           HN       SER  30  -1.049 -10.492  -6.063
  212    HA   SER   9           HA       SER  30   1.119  -9.750  -4.484
  213   1HB   SER   9           HB1      SER  30   1.333 -10.977  -6.674
  214   2HB   SER   9           HB2      SER  30   0.954  -9.489  -7.550
  215    HG   SER   9           HG1      SER  30   3.286 -10.270  -6.471
  216    H    HIS  10           HN       HIS  31  -0.284  -7.731  -6.916
  217    HA   HIS  10           HA       HIS  31   1.128  -5.355  -6.747
  218   1HB   HIS  10           HB1      HIS  31  -1.950  -5.270  -6.652
  219   2HB   HIS  10           HB2      HIS  31  -0.870  -4.225  -7.562
  220    HD1  HIS  10           HD1      HIS  31   0.676  -5.974  -9.274
  221    HD2  HIS  10           HD2      HIS  31  -3.173  -6.995  -8.375
  222    HE1  HIS  10           HE1      HIS  31  -0.051  -7.552 -11.026
  223    H    LEU  11           HN       LEU  32  -1.607  -6.179  -4.670
  224    HA   LEU  11           HA       LEU  32  -1.445  -4.047  -2.875
  225   1HB   LEU  11           HB1      LEU  32  -2.611  -6.805  -2.746
  226   2HB   LEU  11           HB2      LEU  32  -2.230  -6.130  -1.184
  227    HG   LEU  11           HG       LEU  32  -3.987  -4.812  -3.288
  228   1HD1  LEU  11          HD12      LEU  32  -5.027  -6.842  -2.231
  229   2HD1  LEU  11          HD11      LEU  32  -4.693  -6.177  -0.643
  230   3HD1  LEU  11          HD13      LEU  32  -5.839  -5.379  -1.702
  231   1HD2  LEU  11          HD22      LEU  32  -3.460  -4.048  -0.369
  232   2HD2  LEU  11          HD21      LEU  32  -2.874  -3.133  -1.746
  233   3HD2  LEU  11          HD23      LEU  32  -4.592  -3.242  -1.440
  234    H    VAL  12           HN       VAL  33  -0.079  -7.299  -2.375
  235    HA   VAL  12           HA       VAL  33   1.296  -7.004  -0.014
  236    HB   VAL  12           HB       VAL  33   2.723  -8.116  -2.517
  237   1HG1  VAL  12          HG11      VAL  33   3.056  -8.830   0.424
  238   2HG1  VAL  12          HG13      VAL  33   3.909  -9.584  -0.913
  239   3HG1  VAL  12          HG12      VAL  33   4.191  -7.899  -0.538
  240   1HG2  VAL  12          HG22      VAL  33   0.872  -9.610  -0.647
  241   2HG2  VAL  12          HG21      VAL  33   0.524  -9.191  -2.315
  242   3HG2  VAL  12          HG23      VAL  33   1.812 -10.319  -1.950
  243    H    GLU  13           HN       GLU  34   2.528  -5.934  -3.096
  244    HA   GLU  13           HA       GLU  34   4.810  -4.640  -1.848
  245   1HB   GLU  13           HB1      GLU  34   3.614  -4.155  -4.625
  246   2HB   GLU  13           HB2      GLU  34   5.212  -3.670  -4.071
  247   1HG   GLU  13           HG2      GLU  34   5.735  -6.139  -3.678
  248   2HG   GLU  13           HG1      GLU  34   4.180  -6.536  -4.380
  249    H    ALA  14           HN       ALA  35   2.029  -3.152  -3.519
  250    HA   ALA  14           HA       ALA  35   2.420  -0.523  -2.940
  251   1HB   ALA  14           HB2      ALA  35   0.441  -1.411  -4.153
  252   2HB   ALA  14           HB1      ALA  35  -0.217  -2.046  -2.655
  253   3HB   ALA  14           HB3      ALA  35  -0.089  -0.310  -2.890
  254    H    LEU  15           HN       LEU  36   0.895  -2.729  -0.662
  255    HA   LEU  15           HA       LEU  36   0.629  -0.796   1.448
  256   1HB   LEU  15           HB1      LEU  36  -0.022  -2.821   2.786
  257   2HB   LEU  15           HB2      LEU  36  -0.729  -2.912   1.193
  258    HG   LEU  15           HG       LEU  36   1.420  -4.376   0.739
  259   1HD1  LEU  15          HD12      LEU  36   2.477  -3.992   3.020
  260   2HD1  LEU  15          HD11      LEU  36   1.059  -4.694   3.757
  261   3HD1  LEU  15          HD13      LEU  36   2.109  -5.683   2.762
  262   1HD2  LEU  15          HD22      LEU  36  -0.945  -5.357   2.391
  263   2HD2  LEU  15          HD21      LEU  36  -0.923  -5.202   0.645
  264   3HD2  LEU  15          HD23      LEU  36   0.086  -6.393   1.446
  265    OH   TYR  16           OH       TYR  37   8.171  -5.619  -3.075
  266    H    TYR  16           HN       TYR  37   3.091  -3.200   0.634
  267    HA   TYR  16           HA       TYR  37   4.680  -2.462   2.972
  268   1HB   TYR  16           HB1      TYR  37   5.919  -4.361   2.473
  269   2HB   TYR  16           HB2      TYR  37   4.453  -4.743   1.622
  270    HD1  TYR  16           HD2      TYR  37   6.921  -2.497  -0.205
  271    HD2  TYR  16           HD1      TYR  37   5.468  -6.456   0.472
  272    HE1  TYR  16           HE2      TYR  37   8.080  -3.113  -1.995
  273    HE2  TYR  16           HE1      TYR  37   6.645  -7.178  -1.516
  274    HH   TYR  16           HH       TYR  37   8.686  -4.870  -3.383
  275    H    LEU  17           HN       LEU  38   4.007  -1.016   0.072
  276    HA   LEU  17           HA       LEU  38   6.680   0.099  -0.463
  277   1HB   LEU  17           HB1      LEU  38   4.563  -0.483  -2.149
  278   2HB   LEU  17           HB2      LEU  38   4.187   1.182  -1.788
  279    HG   LEU  17           HG       LEU  38   6.889   0.179  -2.820
  280   1HD1  LEU  17          HD12      LEU  38   5.074  -0.135  -4.496
  281   2HD1  LEU  17          HD11      LEU  38   4.621   1.555  -4.333
  282   3HD1  LEU  17          HD13      LEU  38   6.192   1.125  -4.995
  283   1HD2  LEU  17          HD22      LEU  38   5.765   3.004  -2.578
  284   2HD2  LEU  17          HD21      LEU  38   7.046   2.323  -1.582
  285   3HD2  LEU  17          HD23      LEU  38   7.316   2.582  -3.291
  286    H    VAL  18           HN       VAL  39   3.427   1.027   0.699
  287    HA   VAL  18           HA       VAL  39   4.184   3.729   1.347
  288    HB   VAL  18           HB       VAL  39   2.093   1.994   2.823
  289   1HG1  VAL  18          HG12      VAL  39   2.792   4.266   3.895
  290   2HG1  VAL  18          HG11      VAL  39   2.307   5.037   2.409
  291   3HG1  VAL  18          HG13      VAL  39   1.115   4.220   3.399
  292   1HG2  VAL  18          HG22      VAL  39   1.730   3.819   0.413
  293   2HG2  VAL  18          HG21      VAL  39   1.567   2.075   0.412
  294   3HG2  VAL  18          HG23      VAL  39   0.431   3.055   1.315
  295    H    CYS  19           HN       CYS  40   4.453   0.627   2.817
  296    HA   CYS  19           HA       CYS  40   5.897   1.607   5.237
  297   1HB   CYS  19           HB1      CYS  40   5.003  -1.179   4.474
  298   2HB   CYS  19           HB2      CYS  40   5.764  -0.747   5.965
  299    H    GLY  20           HN       GLY  41   6.882   1.434   2.404
  300   1HA   GLY  20           HA1      GLY  41   9.353  -0.213   2.802
  301   2HA   GLY  20           HA2      GLY  41   8.634   0.030   1.188
  302    H    GLU  21           HN       GLU  42   7.918   2.576   1.438
  303    HA   GLU  21           HA       GLU  42   9.334   4.386   0.435
  304   1HB   GLU  21           HB1      GLU  42   7.161   4.400   2.232
  305   2HB   GLU  21           HB2      GLU  42   8.201   5.666   2.817
  306   1HG   GLU  21           HG2      GLU  42   6.627   6.628   1.255
  307   2HG   GLU  21           HG1      GLU  42   8.198   6.655   0.483
  308    NH1  ARG  22           NH1      ARG  43  11.907   9.940   1.112
  309    NH2  ARG  22           NH2      ARG  43  14.086   9.531   1.662
  310    H    ARG  22           HN       ARG  43   9.658   4.383   3.881
  311    HA   ARG  22           HA       ARG  43  12.388   5.594   3.601
  312   1HB   ARG  22           HB1      ARG  43  10.135   6.154   5.559
  313   2HB   ARG  22           HB2      ARG  43  11.775   6.635   5.933
  314   1HG   ARG  22           HG2      ARG  43  10.327   7.454   3.377
  315   2HG   ARG  22           HG1      ARG  43  10.381   8.443   4.822
  316   1HD   ARG  22           HD2      ARG  43  12.395   9.265   4.162
  317   2HD   ARG  22           HD1      ARG  43  13.104   7.668   4.308
  318    HE   ARG  22           HE       ARG  43  12.295   7.307   1.899
  319   1HH1  ARG  22          HH12      ARG  43  10.945   9.673   1.164
  320   2HH1  ARG  22          HH11      ARG  43  12.174  10.759   0.604
  321   1HH2  ARG  22          HH22      ARG  43  14.758   8.955   2.130
  322   2HH2  ARG  22          HH21      ARG  43  14.386  10.344   1.162
  323    H    GLY  23           HN       GLY  44  12.039   2.877   3.616
  324   1HA   GLY  23           HA1      GLY  44  13.354   2.078   6.171
  325   2HA   GLY  23           HA2      GLY  44  12.158   1.057   5.382
  326    H    GLY  24           HN       GLY  45  12.665   0.932   2.984
  327   1HA   GLY  24           HA1      GLY  45  15.456   0.712   2.270
  328   2HA   GLY  24           HA2      GLY  45  14.639  -0.854   2.431
  329    H    PHE  25           HN       PHE  46  12.627   0.926   1.519
  330    HA   PHE  25           HA       PHE  46  12.878   0.583  -1.475
  331   1HB   PHE  25           HB1      PHE  46  10.270   0.690   0.082
  332   2HB   PHE  25           HB2      PHE  46  10.454   0.320  -1.611
  333    HD1  PHE  25           HD2      PHE  46  11.108  -0.933   1.809
  334    HD2  PHE  25           HD1      PHE  46  11.110  -1.900  -2.341
  335    HE1  PHE  25           HE2      PHE  46  11.363  -3.303   2.366
  336    HE2  PHE  25           HE1      PHE  46  11.370  -4.274  -1.779
  337    HZ   PHE  25           HZ       PHE  46  11.497  -4.981   0.573
  338    OH   TYR  26           OH       TYR  47  18.227   2.675  -4.980
  339    H    TYR  26           HN       TYR  47  13.586   2.476  -2.096
  340    HA   TYR  26           HA       TYR  47  12.067   4.970  -1.415
  341   1HB   TYR  26           HB1      TYR  47  14.180   6.178  -1.971
  342   2HB   TYR  26           HB2      TYR  47  14.473   4.997  -0.711
  343    HD1  TYR  26           HD1      TYR  47  15.359   2.636  -1.498
  344    HD2  TYR  26           HD2      TYR  47  15.502   6.131  -3.929
  345    HE1  TYR  26           HE1      TYR  47  17.073   1.598  -2.892
  346    HE2  TYR  26           HE2      TYR  47  17.220   5.085  -5.324
  347    HH   TYR  26           HH       TYR  47  18.764   3.372  -5.358
  348    H    THR  27           HN       THR  48  12.856   6.559  -3.455
  349    HA   THR  27           HA       THR  48  11.583   5.246  -5.804
  350    HB   THR  27           HB       THR  48  10.367   7.257  -5.042
  351    HG1  THR  27           HG1      THR  48  11.661   7.052  -7.401
  352   1HG2  THR  27          HG22      THR  48  12.335   8.453  -3.893
  353   2HG2  THR  27          HG21      THR  48  12.966   8.841  -5.486
  354   3HG2  THR  27          HG23      THR  48  11.415   9.478  -4.979
  355    HA   PRO  28           HA       PRO  49  15.547   4.587  -7.202
  356   1HB   PRO  28           HB1      PRO  49  15.191   4.105  -9.878
  357   2HB   PRO  28           HB2      PRO  49  14.528   3.044  -8.631
  358   1HG   PRO  28           HG2      PRO  49  13.097   5.382 -10.011
  359   2HG   PRO  28           HG1      PRO  49  12.561   3.701  -9.910
  360   1HD   PRO  28           HD1      PRO  49  11.643   5.445  -8.107
  361   2HD   PRO  28           HD2      PRO  49  12.168   3.856  -7.512
  362    H    LYS  29           HN       LYS  50  16.523   6.499  -6.711
  363    HA   LYS  29           HA       LYS  50  16.851   8.518  -8.879
  364   1HB   LYS  29           HB1      LYS  50  15.798   9.275  -6.765
  365   2HB   LYS  29           HB2      LYS  50  17.208   8.755  -5.869
  366   1HG   LYS  29           HG2      LYS  50  18.602  10.412  -7.057
  367   2HG   LYS  29           HG1      LYS  50  17.233  10.879  -8.046
  368   1HD   LYS  29           HD2      LYS  50  16.002  11.661  -6.078
  369   2HD   LYS  29           HD1      LYS  50  17.226  11.031  -4.996
  370   1HE   LYS  29           HE2      LYS  50  17.473  13.479  -5.295
  371   2HE   LYS  29           HE1      LYS  50  18.883  12.631  -5.912
  372   1HZ   LYS  29           HZ1      LYS  50  17.000  12.846  -7.976
  373   2HZ   LYS  29           HZ3      LYS  50  17.179  14.376  -7.264
  374   3HZ   LYS  29           HZ2      LYS  50  18.538  13.557  -7.867
  375    H    THR  30           HN       THR  51  18.605   7.157  -6.209
  376    HA   THR  30           HA       THR  51  21.109   7.059  -7.872
  377    HB   THR  30           HB       THR  51  22.378   7.434  -5.654
  378    HG1  THR  30           HG1      THR  51  21.136   7.374  -3.973
  379   1HG2  THR  30          HG22      THR  51  21.857   9.375  -7.237
  380   2HG2  THR  30          HG21      THR  51  20.360   9.628  -6.355
  381   3HG2  THR  30          HG23      THR  51  21.901   9.860  -5.550
   
 Raw file had 381 H/Q atoms
  Start of MODEL    4
    1   1H    GLY   1           HT1      GLY   1 -12.313  -5.814  -8.889
    2   2H    GLY   1           HT3      GLY   1 -11.387  -6.524 -10.121
    3   3H    GLY   1           HT2      GLY   1 -12.670  -7.388  -9.419
    4   1HA   GLY   1           HA1      GLY   1 -11.317  -8.236  -7.914
    5   2HA   GLY   1           HA2      GLY   1  -9.986  -7.355  -8.663
    6    H    ILE   2           HN       ILE   2  -9.386  -7.446  -6.299
    7    HA   ILE   2           HA       ILE   2 -10.583  -5.223  -4.708
    8    HB   ILE   2           HB       ILE   2  -9.134  -6.326  -2.854
    9   1HG1  ILE   2          HG12      ILE   2  -8.671  -8.712  -3.053
   10   2HG1  ILE   2          HG11      ILE   2  -9.315  -8.766  -4.680
   11   1HG2  ILE   2          HG22      ILE   2 -11.576  -6.397  -2.874
   12   2HG2  ILE   2          HG21      ILE   2 -11.558  -7.767  -3.969
   13   3HG2  ILE   2          HG23      ILE   2 -10.941  -7.938  -2.334
   14   1HD1  ILE   2           HD1      ILE   2  -6.811  -7.250  -3.825
   15   2HD1  ILE   2           HD3      ILE   2  -6.849  -8.785  -4.675
   16   3HD1  ILE   2           HD2      ILE   2  -7.438  -7.345  -5.464
   17    H    VAL   3           HN       VAL   3  -8.151  -5.691  -6.769
   18    HA   VAL   3           HA       VAL   3  -6.219  -3.863  -5.407
   19    HB   VAL   3           HB       VAL   3  -5.588  -6.182  -6.357
   20   1HG1  VAL   3          HG12      VAL   3  -6.718  -6.142  -8.498
   21   2HG1  VAL   3          HG11      VAL   3  -5.735  -4.785  -9.037
   22   3HG1  VAL   3          HG13      VAL   3  -4.989  -6.338  -8.730
   23   1HG2  VAL   3          HG22      VAL   3  -4.048  -3.701  -7.258
   24   2HG2  VAL   3          HG21      VAL   3  -3.889  -4.501  -5.701
   25   3HG2  VAL   3          HG23      VAL   3  -3.351  -5.312  -7.162
   26    H    GLU   4           HN       GLU   4  -8.110  -4.567  -8.144
   27    HA   GLU   4           HA       GLU   4  -7.606  -1.960  -9.506
   28   1HB   GLU   4           HB1      GLU   4  -7.818  -4.207 -10.750
   29   2HB   GLU   4           HB2      GLU   4  -9.518  -4.192 -10.312
   30   1HG   GLU   4           HG2      GLU   4  -9.836  -2.035 -11.527
   31   2HG   GLU   4           HG1      GLU   4  -8.123  -1.969 -11.881
   32    H    GLN   5           HN       GLN   5  -8.590  -1.741  -7.030
   33    HA   GLN   5           HA       GLN   5 -11.427  -0.828  -7.325
   34   1HB   GLN   5           HB1      GLN   5 -10.941  -2.584  -5.495
   35   2HB   GLN   5           HB2      GLN   5  -9.825  -1.453  -4.756
   36   1HG   GLN   5           HG2      GLN   5 -11.726   0.206  -4.543
   37   2HG   GLN   5           HG1      GLN   5 -12.821  -1.005  -5.194
   38   1HE2  GLN   5          HE21      GLN   5 -12.208  -1.021  -1.302
   39   2HE2  GLN   5          HE22      GLN   5 -12.027   0.306  -2.353
   40    H    CYS   6           HN       CYS   6  -8.470  -0.356  -5.604
   41    HA   CYS   6           HA       CYS   6  -8.311   2.169  -4.780
   42   1HB   CYS   6           HB1      CYS   6  -6.166   0.702  -6.226
   43   2HB   CYS   6           HB2      CYS   6  -5.884   2.050  -5.144
   44    H    CYS   7           HN       CYS   7  -7.987   1.456  -8.221
   45    HA   CYS   7           HA       CYS   7  -7.441   4.355  -8.761
   46   1HB   CYS   7           HB1      CYS   7  -5.701   2.752  -9.544
   47   2HB   CYS   7           HB2      CYS   7  -6.905   1.871 -10.426
   48    H    THR   8           HN       THR   8  -9.174   1.519  -9.497
   49    HA   THR   8           HA       THR   8 -11.182   2.878 -11.214
   50    HB   THR   8           HB       THR   8 -10.566  -0.060 -10.554
   51    HG1  THR   8           HG1      THR   8  -9.099   0.260 -11.972
   52   1HG2  THR   8          HG21      THR   8 -12.210   1.125 -12.825
   53   2HG2  THR   8          HG23      THR   8 -11.915  -0.582 -12.537
   54   3HG2  THR   8          HG22      THR   8 -12.926   0.331 -11.433
   55    H    SER   9           HN       SER   9 -11.233   3.894  -9.037
   56    HA   SER   9           HA       SER   9 -13.186   4.542  -7.663
   57   1HB   SER   9           HB1      SER   9 -13.017   1.574  -6.759
   58   2HB   SER   9           HB2      SER   9 -14.017   2.786  -5.960
   59    HG   SER   9           HG1      SER   9 -14.521   1.456  -8.218
   60    H    ILE  10           HN       ILE  10 -12.831   3.726  -4.877
   61    HA   ILE  10           HA       ILE  10  -9.950   4.449  -4.435
   62    HB   ILE  10           HB       ILE  10 -12.401   5.245  -2.796
   63   1HG1  ILE  10          HG12      ILE  10 -12.248   6.486  -4.970
   64   2HG1  ILE  10          HG11      ILE  10 -12.101   7.524  -3.573
   65   1HG2  ILE  10          HG21      ILE  10  -9.469   5.974  -2.416
   66   2HG2  ILE  10          HG23      ILE  10 -10.803   6.680  -1.514
   67   3HG2  ILE  10          HG22      ILE  10 -10.435   4.977  -1.347
   68   1HD1  ILE  10           HD1      ILE  10  -9.764   6.513  -5.250
   69   2HD1  ILE  10           HD3      ILE  10 -10.443   8.134  -5.287
   70   3HD1  ILE  10           HD2      ILE  10  -9.639   7.567  -3.845
   71    H    CYS  11           HN       CYS  11  -8.975   3.546  -2.546
   72    HA   CYS  11           HA       CYS  11 -10.429   1.257  -1.275
   73   1HB   CYS  11           HB1      CYS  11  -8.548  -0.200  -1.508
   74   2HB   CYS  11           HB2      CYS  11  -8.923   0.429  -3.085
   75    H    SER  12           HN       SER  12  -8.730   0.332   0.432
   76    HA   SER  12           HA       SER  12  -7.896   2.598   2.201
   77   1HB   SER  12           HB1      SER  12  -8.529   1.130   4.113
   78   2HB   SER  12           HB2      SER  12  -9.906   1.170   3.007
   79    HG   SER  12           HG1      SER  12  -8.330  -0.901   3.691
   80    H    LEU  13           HN       LEU  13  -6.498   1.156   4.021
   81    HA   LEU  13           HA       LEU  13  -4.106   0.350   2.443
   82   1HB   LEU  13           HB1      LEU  13  -2.823   0.604   4.478
   83   2HB   LEU  13           HB2      LEU  13  -3.909   1.957   4.446
   84    HG   LEU  13           HG       LEU  13  -4.385  -0.525   6.184
   85   1HD1  LEU  13          HD11      LEU  13  -3.192   2.171   6.902
   86   2HD1  LEU  13          HD13      LEU  13  -3.576   0.884   8.034
   87   3HD1  LEU  13          HD12      LEU  13  -2.326   0.646   6.826
   88   1HD2  LEU  13          HD22      LEU  13  -5.627   2.278   6.304
   89   2HD2  LEU  13          HD21      LEU  13  -6.488   0.865   5.733
   90   3HD2  LEU  13          HD23      LEU  13  -5.972   0.950   7.395
   91    OH   TYR  14           OH       TYR  14  -9.545  -7.972   6.917
   92    H    TYR  14           HN       TYR  14  -6.116  -0.738   5.115
   93    HA   TYR  14           HA       TYR  14  -5.493  -3.206   5.812
   94   1HB   TYR  14           HB1      TYR  14  -7.598  -2.168   6.518
   95   2HB   TYR  14           HB2      TYR  14  -8.272  -2.321   4.907
   96    HD1  TYR  14           HD1      TYR  14  -6.757  -4.471   7.600
   97    HD2  TYR  14           HD2      TYR  14  -9.606  -4.188   4.443
   98    HE1  TYR  14           HE1      TYR  14  -7.592  -6.708   8.148
   99    HE2  TYR  14           HE2      TYR  14 -10.441  -6.421   4.999
  100    HH   TYR  14           HH       TYR  14  -9.162  -8.243   7.754
  101    H    GLN  15           HN       GLN  15  -7.486  -2.760   2.947
  102    HA   GLN  15           HA       GLN  15  -7.577  -5.327   1.917
  103   1HB   GLN  15           HB1      GLN  15  -7.226  -2.695   0.374
  104   2HB   GLN  15           HB2      GLN  15  -7.832  -4.184  -0.327
  105   1HG   GLN  15           HG2      GLN  15  -9.754  -4.205   1.173
  106   2HG   GLN  15           HG1      GLN  15  -9.176  -2.757   1.983
  107   1HE2  GLN  15          HE21      GLN  15 -10.571  -0.591  -0.358
  108   2HE2  GLN  15          HE22      GLN  15  -9.811  -0.844   1.146
  109    H    LEU  16           HN       LEU  16  -5.234  -3.010   0.585
  110    HA   LEU  16           HA       LEU  16  -3.560  -4.964  -0.521
  111   1HB   LEU  16           HB1      LEU  16  -3.349  -2.058   0.014
  112   2HB   LEU  16           HB2      LEU  16  -1.813  -2.869  -0.220
  113    HG   LEU  16           HG       LEU  16  -2.949  -4.060  -2.261
  114   1HD1  LEU  16          HD12      LEU  16  -5.315  -3.423  -1.676
  115   2HD1  LEU  16          HD11      LEU  16  -4.896  -1.746  -1.908
  116   3HD1  LEU  16          HD13      LEU  16  -4.867  -2.852  -3.269
  117   1HD2  LEU  16          HD21      LEU  16  -1.257  -2.359  -2.561
  118   2HD2  LEU  16          HD23      LEU  16  -2.508  -2.268  -3.786
  119   3HD2  LEU  16          HD22      LEU  16  -2.497  -1.130  -2.453
  120    H    GLU  17           HN       GLU  17  -3.576  -4.128   2.795
  121    HA   GLU  17           HA       GLU  17  -0.848  -4.841   3.419
  122   1HB   GLU  17           HB1      GLU  17  -3.262  -5.542   5.191
  123   2HB   GLU  17           HB2      GLU  17  -1.615  -5.270   5.720
  124   1HG   GLU  17           HG2      GLU  17  -1.931  -2.879   4.684
  125   2HG   GLU  17           HG1      GLU  17  -3.624  -3.272   4.715
  126    H    ASN  18           HN       ASN  18  -3.851  -6.491   3.270
  127    HA   ASN  18           HA       ASN  18  -2.956  -9.192   3.567
  128   1HB   ASN  18           HB1      ASN  18  -5.479  -8.185   2.126
  129   2HB   ASN  18           HB2      ASN  18  -5.229  -9.799   2.745
  130   1HD2  ASN  18          HD21      ASN  18  -6.717  -7.069   5.222
  131   2HD2  ASN  18          HD22      ASN  18  -6.667  -6.885   3.536
  132    OH   TYR  19           OH       TYR  19  -8.463  -6.908  -0.691
  133    H    TYR  19           HN       TYR  19  -2.825  -7.000   0.944
  134    HA   TYR  19           HA       TYR  19  -2.271  -9.186  -1.031
  135   1HB   TYR  19           HB1      TYR  19  -2.561  -6.196  -1.814
  136   2HB   TYR  19           HB2      TYR  19  -2.745  -7.646  -2.804
  137    HD1  TYR  19           HD1      TYR  19  -4.588  -9.267  -0.752
  138    HD2  TYR  19           HD2      TYR  19  -4.561  -5.289  -2.214
  139    HE1  TYR  19           HE1      TYR  19  -6.986  -9.060  -0.272
  140    HE2  TYR  19           HE2      TYR  19  -6.841  -5.036  -1.734
  141    HH   TYR  19           HH       TYR  19  -8.727  -6.016  -0.929
  142    H    CYS  20           HN       CYS  20  -0.395  -8.306   1.089
  143    HA   CYS  20           HA       CYS  20   1.910  -7.594  -0.679
  144   1HB   CYS  20           HB1      CYS  20   2.851  -6.212   0.953
  145   2HB   CYS  20           HB2      CYS  20   1.185  -5.760   0.926
  146    H    ASN  21           HN       ASN  21   1.003  -8.917   2.402
  147    HA   ASN  21           HA       ASN  21   2.715 -11.313   1.862
  148   1HB   ASN  21           HB1      ASN  21   4.014  -9.715   3.329
  149   2HB   ASN  21           HB2      ASN  21   2.744  -9.832   4.548
  150   1HD2  ASN  21          HD21      ASN  21   5.518 -12.738   4.281
  151   2HD2  ASN  21          HD22      ASN  21   5.610 -11.299   3.385
  152   1H    PHE   1           HT1      PHE  22  -0.403   6.472   0.266
  153   2H    PHE   1           HT3      PHE  22   0.100   8.032  -0.176
  154   3H    PHE   1           HT2      PHE  22   0.499   7.413   1.354
  155    HA   PHE   1           HA       PHE  22  -1.334   8.230   2.215
  156   1HB   PHE   1           HB1      PHE  22  -1.023  10.015   0.499
  157   2HB   PHE   1           HB2      PHE  22  -1.937   9.077  -0.664
  158    HD1  PHE   1           HD1      PHE  22  -4.392   8.751  -0.361
  159    HD2  PHE   1           HD2      PHE  22  -2.156  11.263   2.259
  160    HE1  PHE   1           HE1      PHE  22  -6.473   9.755   0.456
  161    HE2  PHE   1           HE2      PHE  22  -4.244  12.260   3.074
  162    HZ   PHE   1           HZ       PHE  22  -6.406  11.508   2.174
  163    H    VAL   2           HN       VAL  23  -3.621   7.890   2.494
  164    HA   VAL   2           HA       VAL  23  -4.711   5.520   1.032
  165    HB   VAL   2           HB       VAL  23  -5.671   4.768   3.250
  166   1HG1  VAL   2          HG12      VAL  23  -3.547   3.816   2.375
  167   2HG1  VAL   2          HG11      VAL  23  -2.636   5.102   3.157
  168   3HG1  VAL   2          HG13      VAL  23  -3.501   3.930   4.128
  169   1HG2  VAL   2          HG22      VAL  23  -3.846   6.933   4.411
  170   2HG2  VAL   2          HG21      VAL  23  -5.601   6.974   4.470
  171   3HG2  VAL   2          HG23      VAL  23  -4.728   5.732   5.335
  172    H    ASN   3           HN       ASN  24  -6.511   5.776   0.183
  173    HA   ASN   3           HA       ASN  24  -8.829   6.185  -0.027
  174   1HB   ASN   3           HB1      ASN  24  -8.436   8.701   1.715
  175   2HB   ASN   3           HB2      ASN  24  -9.954   8.105   1.085
  176   1HD2  ASN   3          HD21      ASN  24  -8.968   6.789   4.613
  177   2HD2  ASN   3          HD22      ASN  24  -8.523   8.274   3.919
  178    H    GLN   4           HN       GLN  25  -6.832   6.710  -1.772
  179    HA   GLN   4           HA       GLN  25  -7.867   9.050  -3.271
  180   1HB   GLN   4           HB1      GLN  25  -5.826   9.713  -1.997
  181   2HB   GLN   4           HB2      GLN  25  -4.926   8.403  -2.720
  182   1HG   GLN   4           HG2      GLN  25  -5.004   9.472  -4.913
  183   2HG   GLN   4           HG1      GLN  25  -6.169  10.669  -4.347
  184   1HE2  GLN   4          HE21      GLN  25  -3.595  12.804  -3.294
  185   2HE2  GLN   4          HE22      GLN  25  -5.192  12.615  -3.837
  186    H    HIS   5           HN       HIS  26  -6.618   8.872  -5.527
  187    HA   HIS   5           HA       HIS  26  -7.294   6.192  -6.592
  188   1HB   HIS   5           HB1      HIS  26  -6.787   8.877  -7.926
  189   2HB   HIS   5           HB2      HIS  26  -6.952   7.387  -8.846
  190    HD1  HIS   5           HD1      HIS  26  -9.305   6.053  -7.897
  191    HD2  HIS   5           HD2      HIS  26  -9.224  10.137  -7.788
  192    HE1  HIS   5           HE1      HIS  26 -11.647   6.788  -7.812
  193    H    LEU   6           HN       LEU  27  -5.641   4.961  -6.075
  194    HA   LEU   6           HA       LEU  27  -2.864   5.688  -6.902
  195   1HB   LEU   6           HB1      LEU  27  -4.003   3.689  -4.914
  196   2HB   LEU   6           HB2      LEU  27  -2.366   3.509  -5.485
  197    HG   LEU   6           HG       LEU  27  -1.995   5.970  -4.709
  198   1HD1  LEU   6          HD11      LEU  27  -4.595   5.438  -3.227
  199   2HD1  LEU   6          HD13      LEU  27  -3.513   6.798  -2.965
  200   3HD1  LEU   6          HD12      LEU  27  -4.368   6.645  -4.485
  201   1HD2  LEU   6          HD21      LEU  27  -1.123   4.022  -3.439
  202   2HD2  LEU   6          HD23      LEU  27  -1.661   5.288  -2.350
  203   3HD2  LEU   6          HD22      LEU  27  -2.663   3.867  -2.605
  204    H    CYS   7           HN       CYS  28  -2.292   4.963  -8.763
  205    HA   CYS   7           HA       CYS  28  -3.422   2.421  -9.866
  206   1HB   CYS   7           HB1      CYS  28  -2.438   4.803 -11.460
  207   2HB   CYS   7           HB2      CYS  28  -3.372   3.450 -12.045
  208    H    GLY   8           HN       GLY  29  -1.765   2.376 -12.064
  209   1HA   GLY   8           HA1      GLY  29   0.245   0.693 -11.708
  210   2HA   GLY   8           HA2      GLY  29   0.383   1.969 -12.889
  211    H    SER   9           HN       SER  30   1.387   0.828  -9.828
  212    HA   SER   9           HA       SER  30   3.739   1.069  -9.134
  213   1HB   SER   9           HB1      SER  30   4.320   3.056 -10.639
  214   2HB   SER   9           HB2      SER  30   3.313   4.096  -9.618
  215    HG   SER   9           HG1      SER  30   4.927   2.621  -8.072
  216    H    HIS  10           HN       HIS  31   1.548   3.668  -8.553
  217    HA   HIS  10           HA       HIS  31   1.825   4.318  -5.906
  218   1HB   HIS  10           HB1      HIS  31  -0.928   3.770  -7.089
  219   2HB   HIS  10           HB2      HIS  31  -0.512   4.913  -5.828
  220    HD1  HIS  10           HD1      HIS  31   0.600   4.481  -9.409
  221    HD2  HIS  10           HD2      HIS  31  -0.471   7.443  -6.815
  222    HE1  HIS  10           HE1      HIS  31   0.726   6.590 -10.678
  223    H    LEU  11           HN       LEU  32  -0.155   1.784  -7.132
  224    HA   LEU  11           HA       LEU  32  -1.047   0.550  -4.761
  225   1HB   LEU  11           HB1      LEU  32  -0.531  -0.675  -7.507
  226   2HB   LEU  11           HB2      LEU  32  -1.485  -1.446  -6.253
  227    HG   LEU  11           HG       LEU  32  -2.104   1.296  -7.466
  228   1HD1  LEU  11          HD11      LEU  32  -3.465  -1.396  -7.915
  229   2HD1  LEU  11          HD13      LEU  32  -3.999   0.148  -8.568
  230   3HD1  LEU  11          HD12      LEU  32  -2.475  -0.545  -9.092
  231   1HD2  LEU  11          HD22      LEU  32  -3.725  -0.462  -5.569
  232   2HD2  LEU  11          HD21      LEU  32  -2.943   1.043  -5.113
  233   3HD2  LEU  11          HD23      LEU  32  -4.229   1.060  -6.278
  234    H    VAL  12           HN       VAL  33   1.786  -0.343  -6.717
  235    HA   VAL  12           HA       VAL  33   2.550  -2.546  -5.044
  236    HB   VAL  12           HB       VAL  33   4.662  -0.678  -6.267
  237   1HG1  VAL  12          HG12      VAL  33   5.395  -2.641  -4.941
  238   2HG1  VAL  12          HG11      VAL  33   4.489  -3.702  -5.999
  239   3HG1  VAL  12          HG13      VAL  33   5.869  -2.814  -6.624
  240   1HG2  VAL  12          HG22      VAL  33   3.082  -2.716  -7.853
  241   2HG2  VAL  12          HG21      VAL  33   3.004  -0.974  -8.068
  242   3HG2  VAL  12          HG23      VAL  33   4.494  -1.835  -8.418
  243    H    GLU  13           HN       GLU  34   3.401   0.882  -4.981
  244    HA   GLU  13           HA       GLU  34   4.862   0.583  -2.484
  245   1HB   GLU  13           HB1      GLU  34   3.834   3.201  -3.659
  246   2HB   GLU  13           HB2      GLU  34   5.181   2.949  -2.551
  247   1HG   GLU  13           HG2      GLU  34   6.429   1.723  -4.319
  248   2HG   GLU  13           HG1      GLU  34   5.105   1.983  -5.436
  249    H    ALA  14           HN       ALA  35   1.875  -0.010  -2.642
  250    HA   ALA  14           HA       ALA  35   0.958   1.643  -0.320
  251   1HB   ALA  14           HB2      ALA  35  -0.533   1.727  -2.375
  252   2HB   ALA  14           HB1      ALA  35  -0.686  -0.019  -2.310
  253   3HB   ALA  14           HB3      ALA  35  -1.343   0.962  -1.017
  254    H    LEU  15           HN       LEU  36   0.805  -1.511  -1.836
  255    HA   LEU  15           HA       LEU  36   0.339  -2.925   0.662
  256   1HB   LEU  15           HB1      LEU  36   0.718  -4.992  -0.876
  257   2HB   LEU  15           HB2      LEU  36  -0.487  -3.922  -1.493
  258    HG   LEU  15           HG       LEU  36   1.733  -2.956  -2.782
  259   1HD1  LEU  15          HD12      LEU  36   3.238  -4.653  -1.678
  260   2HD1  LEU  15          HD11      LEU  36   2.244  -5.928  -2.346
  261   3HD1  LEU  15          HD13      LEU  36   3.160  -4.879  -3.411
  262   1HD2  LEU  15          HD21      LEU  36  -0.358  -3.777  -3.882
  263   2HD2  LEU  15          HD23      LEU  36   1.072  -4.373  -4.697
  264   3HD2  LEU  15          HD22      LEU  36   0.167  -5.430  -3.625
  265    OH   TYR  16           OH       TYR  37   8.861   1.854  -3.057
  266    H    TYR  16           HN       TYR  37   3.185  -2.212  -1.337
  267    HA   TYR  16           HA       TYR  37   4.927  -3.709   0.444
  268   1HB   TYR  16           HB1      TYR  37   6.447  -3.427  -1.221
  269   2HB   TYR  16           HB2      TYR  37   5.129  -2.844  -2.168
  270    HD1  TYR  16           HD2      TYR  37   6.503  -0.166   0.163
  271    HD2  TYR  16           HD1      TYR  37   6.828  -2.132  -3.621
  272    HE1  TYR  16           HE2      TYR  37   7.813   1.605  -0.623
  273    HE2  TYR  16           HE1      TYR  37   8.132  -0.296  -4.450
  274    HH   TYR  16           HH       TYR  37   8.288   2.560  -3.358
  275    H    LEU  17           HN       LEU  38   3.301  -0.710   0.506
  276    HA   LEU  17           HA       LEU  38   5.237   0.828   2.011
  277   1HB   LEU  17           HB1      LEU  38   2.786   1.477   0.962
  278   2HB   LEU  17           HB2      LEU  38   2.273   1.116   2.577
  279    HG   LEU  17           HG       LEU  38   4.395   3.178   1.854
  280   1HD1  LEU  17          HD11      LEU  38   1.555   3.492   2.907
  281   2HD1  LEU  17          HD13      LEU  38   2.688   4.808   2.645
  282   3HD1  LEU  17          HD12      LEU  38   2.098   3.877   1.279
  283   1HD2  LEU  17          HD22      LEU  38   3.233   2.477   4.590
  284   2HD2  LEU  17          HD21      LEU  38   4.889   2.182   4.070
  285   3HD2  LEU  17          HD23      LEU  38   4.314   3.822   4.252
  286    H    VAL  18           HN       VAL  39   2.432  -1.146   2.792
  287    HA   VAL  18           HA       VAL  39   2.832  -1.226   5.630
  288    HB   VAL  18           HB       VAL  39   1.297  -3.052   3.704
  289   1HG1  VAL  18          HG11      VAL  39   0.957  -2.716   6.731
  290   2HG1  VAL  18          HG13      VAL  39  -0.057  -3.695   5.685
  291   3HG1  VAL  18          HG12      VAL  39   1.614  -4.142   5.943
  292   1HG2  VAL  18          HG21      VAL  39   0.690  -0.611   3.656
  293   2HG2  VAL  18          HG23      VAL  39  -0.620  -1.529   4.333
  294   3HG2  VAL  18          HG22      VAL  39   0.448  -0.634   5.390
  295    H    CYS  19           HN       CYS  40   3.828  -3.248   3.007
  296    HA   CYS  19           HA       CYS  40   5.569  -4.891   4.814
  297   1HB   CYS  19           HB1      CYS  40   4.426  -5.415   2.061
  298   2HB   CYS  19           HB2      CYS  40   5.719  -6.361   2.718
  299    H    GLY  20           HN       GLY  41   6.539  -2.466   4.416
  300   1HA   GLY  20           HA1      GLY  41   8.684  -2.735   2.319
  301   2HA   GLY  20           HA2      GLY  41   7.979  -1.183   2.726
  302    H    GLU  21           HN       GLU  42   8.768  -3.707   4.913
  303    HA   GLU  21           HA       GLU  42  11.090  -2.168   5.979
  304   1HB   GLU  21           HB1      GLU  42   8.861  -1.914   7.345
  305   2HB   GLU  21           HB2      GLU  42   9.003  -3.618   7.717
  306   1HG   GLU  21           HG2      GLU  42   9.992  -2.201   9.523
  307   2HG   GLU  21           HG1      GLU  42  11.227  -3.206   8.786
  308    NH1  ARG  22           NH1      ARG  43   9.565  -3.910   0.416
  309    NH2  ARG  22           NH2      ARG  43   8.832  -5.809  -0.620
  310    H    ARG  22           HN       ARG  43  11.761  -3.782   4.291
  311    HA   ARG  22           HA       ARG  43  12.318  -6.454   5.530
  312   1HB   ARG  22           HB1      ARG  43  12.280  -5.848   2.547
  313   2HB   ARG  22           HB2      ARG  43  12.290  -7.415   3.330
  314   1HG   ARG  22           HG2      ARG  43  10.017  -7.113   4.159
  315   2HG   ARG  22           HG1      ARG  43   9.980  -5.442   3.621
  316   1HD   ARG  22           HD2      ARG  43  10.183  -7.865   1.780
  317   2HD   ARG  22           HD1      ARG  43   8.772  -6.837   2.014
  318    HE   ARG  22           HE       ARG  43  11.357  -5.826   0.878
  319   1HH1  ARG  22          HH12      ARG  43  10.160  -3.484   1.096
  320   2HH1  ARG  22          HH11      ARG  43   8.957  -3.344  -0.142
  321   1HH2  ARG  22          HH22      ARG  43   8.877  -6.805  -0.711
  322   2HH2  ARG  22          HH21      ARG  43   8.211  -5.280  -1.201
  323    H    GLY  23           HN       GLY  44  13.699  -4.819   2.799
  324   1HA   GLY  23           HA1      GLY  44  16.359  -4.605   4.143
  325   2HA   GLY  23           HA2      GLY  44  16.240  -5.423   2.599
  326    H    GLY  24           HN       GLY  45  15.146  -2.465   4.039
  327   1HA   GLY  24           HA1      GLY  45  16.125  -0.901   1.659
  328   2HA   GLY  24           HA2      GLY  45  14.593  -0.546   2.440
  329    H    PHE  25           HN       PHE  46  15.672   1.559   2.437
  330    HA   PHE  25           HA       PHE  46  17.531   2.034   4.733
  331   1HB   PHE  25           HB1      PHE  46  16.799   3.625   2.237
  332   2HB   PHE  25           HB2      PHE  46  17.655   4.378   3.568
  333    HD1  PHE  25           HD1      PHE  46  19.852   3.299   4.355
  334    HD2  PHE  25           HD2      PHE  46  18.044   2.351   0.611
  335    HE1  PHE  25           HE1      PHE  46  21.992   2.425   3.541
  336    HE2  PHE  25           HE2      PHE  46  20.192   1.479  -0.197
  337    HZ   PHE  25           HZ       PHE  46  22.168   1.514   1.265
  338    OH   TYR  26           OH       TYR  47   9.960   1.657   1.907
  339    H    TYR  26           HN       TYR  47  15.638   1.423   5.892
  340    HA   TYR  26           HA       TYR  47  13.606   3.574   6.261
  341   1HB   TYR  26           HB1      TYR  47  13.603   0.596   6.736
  342   2HB   TYR  26           HB2      TYR  47  12.409   1.621   7.520
  343    HD1  TYR  26           HD2      TYR  47  13.635   0.406   4.249
  344    HD2  TYR  26           HD1      TYR  47  10.668   2.704   6.251
  345    HE1  TYR  26           HE2      TYR  47  12.298   0.468   2.193
  346    HE2  TYR  26           HE1      TYR  47   9.326   2.762   4.206
  347    HH   TYR  26           HH       TYR  47  10.496   1.343   1.175
  348    H    THR  27           HN       THR  48  12.686   3.591   8.448
  349    HA   THR  27           HA       THR  48  14.775   3.549  10.586
  350    HB   THR  27           HB       THR  48  12.736   5.773   9.973
  351    HG1  THR  27           HG1      THR  48  15.186   5.098   9.087
  352   1HG2  THR  27          HG21      THR  48  15.128   5.747  11.892
  353   2HG2  THR  27          HG23      THR  48  14.014   7.083  11.623
  354   3HG2  THR  27          HG22      THR  48  13.462   5.641  12.447
  355    HA   PRO  28           HA       PRO  49  10.907   1.501  12.103
  356   1HB   PRO  28           HB1      PRO  49  11.560  -1.067  12.160
  357   2HB   PRO  28           HB2      PRO  49  11.219  -0.271  10.624
  358   1HG   PRO  28           HG2      PRO  49  13.981  -0.728  11.916
  359   2HG   PRO  28           HG1      PRO  49  13.484  -1.197  10.302
  360   1HD   PRO  28           HD1      PRO  49  14.778   1.220  10.799
  361   2HD   PRO  28           HD2      PRO  49  13.596   1.030   9.482
  362    H    LYS  29           HN       LYS  50  10.635   1.789  14.175
  363    HA   LYS  29           HA       LYS  50  12.721   0.947  16.141
  364   1HB   LYS  29           HB1      LYS  50  11.085   3.527  16.070
  365   2HB   LYS  29           HB2      LYS  50  11.804   2.940  17.557
  366   1HG   LYS  29           HG2      LYS  50  13.437   4.432  16.664
  367   2HG   LYS  29           HG1      LYS  50  14.051   2.836  16.309
  368   1HD   LYS  29           HD2      LYS  50  12.530   3.434  14.013
  369   2HD   LYS  29           HD1      LYS  50  13.132   4.986  14.501
  370   1HE   LYS  29           HE2      LYS  50  14.938   2.562  14.153
  371   2HE   LYS  29           HE1      LYS  50  14.681   3.764  12.910
  372   1HZ   LYS  29           HZ1      LYS  50  15.319   5.093  15.279
  373   2HZ   LYS  29           HZ3      LYS  50  16.453   3.849  15.050
  374   3HZ   LYS  29           HZ2      LYS  50  16.209   5.008  13.835
  375    H    THR  30           HN       THR  51   9.408   1.228  15.321
  376    HA   THR  30           HA       THR  51   8.603  -0.356  17.738
  377    HB   THR  30           HB       THR  51   6.861   1.498  16.000
  378    HG1  THR  30           HG1      THR  51   8.616   1.898  18.004
  379   1HG2  THR  30          HG21      THR  51   6.341   0.221  18.754
  380   2HG2  THR  30          HG23      THR  51   5.232   1.248  17.861
  381   3HG2  THR  30          HG22      THR  51   5.597  -0.365  17.274
   
 Raw file had 381 H/Q atoms
  Start of MODEL    5
    1   1H    GLY   1           HT1      GLY   1   4.051   5.444  13.475
    2   2H    GLY   1           HT3      GLY   1   5.095   4.184  13.905
    3   3H    GLY   1           HT2      GLY   1   5.635   5.791  13.984
    4   1HA   GLY   1           HA1      GLY   1   6.413   5.622  11.930
    5   2HA   GLY   1           HA2      GLY   1   5.744   3.991  11.819
    6    H    ILE   2           HN       ILE   2   5.483   4.790   9.543
    7    HA   ILE   2           HA       ILE   2   2.929   6.299   9.201
    8    HB   ILE   2           HB       ILE   2   3.851   7.375   7.328
    9   1HG1  ILE   2          HG12      ILE   2   5.229   4.774   6.527
   10   2HG1  ILE   2          HG11      ILE   2   3.732   5.379   5.903
   11   1HG2  ILE   2          HG22      ILE   2   5.650   7.685   9.004
   12   2HG2  ILE   2          HG21      ILE   2   6.469   6.246   8.420
   13   3HG2  ILE   2          HG23      ILE   2   6.326   7.660   7.391
   14   1HD1  ILE   2           HD2      ILE   2   4.901   7.336   4.896
   15   2HD1  ILE   2           HD1      ILE   2   6.434   6.724   5.499
   16   3HD1  ILE   2           HD3      ILE   2   5.533   5.808   4.310
   17    H    VAL   3           HN       VAL   3   4.804   3.602   8.322
   18    HA   VAL   3           HA       VAL   3   2.533   2.167   7.045
   19    HB   VAL   3           HB       VAL   3   4.862   2.656   6.059
   20   1HG1  VAL   3          HG12      VAL   3   6.294   1.982   7.862
   21   2HG1  VAL   3          HG11      VAL   3   5.701   0.329   7.740
   22   3HG1  VAL   3          HG13      VAL   3   6.634   1.023   6.433
   23   1HG2  VAL   3          HG21      VAL   3   3.240   1.125   4.965
   24   2HG2  VAL   3          HG23      VAL   3   4.855   0.451   4.814
   25   3HG2  VAL   3          HG22      VAL   3   3.752  -0.170   6.033
   26    H    GLU   4           HN       GLU   4   4.735   2.328   9.566
   27    HA   GLU   4           HA       GLU   4   3.834  -0.266  10.897
   28   1HB   GLU   4           HB1      GLU   4   6.116   1.663  11.597
   29   2HB   GLU   4           HB2      GLU   4   5.759   0.184  12.470
   30   1HG   GLU   4           HG2      GLU   4   6.668   0.408   9.572
   31   2HG   GLU   4           HG1      GLU   4   7.550  -0.303  10.907
   32    H    GLN   5           HN       GLN   5   2.249   1.871  10.442
   33    HA   GLN   5           HA       GLN   5   1.545   2.959  13.103
   34   1HB   GLN   5           HB1      GLN   5   1.976   4.452  11.019
   35   2HB   GLN   5           HB2      GLN   5   0.537   3.782  10.357
   36   1HG   GLN   5           HG2      GLN   5   0.078   5.972  11.505
   37   2HG   GLN   5           HG1      GLN   5  -0.857   4.649  12.184
   38   1HE2  GLN   5          HE21      GLN   5   0.383   5.391  15.385
   39   2HE2  GLN   5          HE22      GLN   5  -0.929   4.922  14.416
   40    H    CYS   6           HN       CYS   6   0.561   1.413  10.197
   41    HA   CYS   6           HA       CYS   6  -2.122   0.724  11.034
   42   1HB   CYS   6           HB1      CYS   6  -0.625  -0.511   8.736
   43   2HB   CYS   6           HB2      CYS   6  -2.339  -0.192   8.872
   44    H    CYS   7           HN       CYS   7   0.819  -0.784  11.701
   45    HA   CYS   7           HA       CYS   7  -0.512  -3.435  12.146
   46   1HB   CYS   7           HB1      CYS   7   1.520  -3.542  10.770
   47   2HB   CYS   7           HB2      CYS   7   2.423  -2.683  11.988
   48    H    THR   8           HN       THR   8   0.784  -0.690  13.615
   49    HA   THR   8           HA       THR   8   1.033  -1.918  16.307
   50    HB   THR   8           HB       THR   8   2.775  -0.226  15.147
   51    HG1  THR   8           HG1      THR   8   2.226   0.852  17.575
   52   1HG2  THR   8          HG21      THR   8   0.775   1.788  16.336
   53   2HG2  THR   8          HG23      THR   8   2.370   2.136  15.694
   54   3HG2  THR   8          HG22      THR   8   1.092   1.607  14.619
   55    H    SER   9           HN       SER   9  -0.610   0.474  14.433
   56    HA   SER   9           HA       SER   9  -2.990   0.561  16.237
   57   1HB   SER   9           HB1      SER   9  -1.611   2.755  16.225
   58   2HB   SER   9           HB2      SER   9  -1.938   2.902  14.495
   59    HG   SER   9           HG1      SER   9  -3.859   3.550  14.978
   60    H    ILE  10           HN       ILE  10  -4.333   2.099  13.998
   61    HA   ILE  10           HA       ILE  10  -4.593  -0.199  12.078
   62    HB   ILE  10           HB       ILE  10  -6.684   1.891  12.786
   63   1HG1  ILE  10          HG12      ILE  10  -6.270   0.347  14.685
   64   2HG1  ILE  10          HG11      ILE  10  -7.844   0.061  13.987
   65   1HG2  ILE  10          HG22      ILE  10  -6.921   1.049  10.460
   66   2HG2  ILE  10          HG21      ILE  10  -6.899  -0.603  11.028
   67   3HG2  ILE  10          HG23      ILE  10  -8.220   0.467  11.457
   68   1HD1  ILE  10           HD1      ILE  10  -5.363  -1.623  13.440
   69   2HD1  ILE  10           HD3      ILE  10  -6.690  -2.067  14.492
   70   3HD1  ILE  10           HD2      ILE  10  -6.957  -1.916  12.770
   71    H    CYS  11           HN       CYS  11  -5.056   3.294  12.040
   72    HA   CYS  11           HA       CYS  11  -4.252   4.915  10.521
   73   1HB   CYS  11           HB1      CYS  11  -3.749   2.718   8.432
   74   2HB   CYS  11           HB2      CYS  11  -3.235   4.364   8.374
   75    H    SER  12           HN       SER  12  -4.795   5.155   7.915
   76    HA   SER  12           HA       SER  12  -7.726   4.620   7.621
   77   1HB   SER  12           HB1      SER  12  -7.835   6.818   6.437
   78   2HB   SER  12           HB2      SER  12  -7.055   7.075   8.010
   79    HG   SER  12           HG1      SER  12  -6.009   7.231   5.507
   80    H    LEU  13           HN       LEU  13  -7.987   5.379   5.079
   81    HA   LEU  13           HA       LEU  13  -6.392   3.378   3.538
   82   1HB   LEU  13           HB1      LEU  13  -8.431   3.593   1.941
   83   2HB   LEU  13           HB2      LEU  13  -8.710   2.806   3.474
   84    HG   LEU  13           HG       LEU  13  -9.666   4.947   4.394
   85   1HD1  LEU  13          HD11      LEU  13  -9.394   5.978   1.535
   86   2HD1  LEU  13          HD13      LEU  13 -10.269   6.776   2.833
   87   3HD1  LEU  13          HD12      LEU  13  -8.534   6.610   2.934
   88   1HD2  LEU  13          HD22      LEU  13 -10.961   3.923   1.846
   89   2HD2  LEU  13          HD21      LEU  13 -11.150   3.232   3.453
   90   3HD2  LEU  13          HD23      LEU  13 -11.776   4.837   3.109
   91    OH   TYR  14           OH       TYR  14  -3.125  13.569   2.475
   92    H    TYR  14           HN       TYR  14  -5.970   6.313   4.283
   93    HA   TYR  14           HA       TYR  14  -5.455   7.465   1.605
   94   1HB   TYR  14           HB1      TYR  14  -6.977   8.842   2.859
   95   2HB   TYR  14           HB2      TYR  14  -6.119   8.604   4.363
   96    HD1  TYR  14           HD1      TYR  14  -5.677  10.154   0.974
   97    HD2  TYR  14           HD2      TYR  14  -4.611  10.208   5.097
   98    HE1  TYR  14           HE1      TYR  14  -4.441  12.238   0.631
   99    HE2  TYR  14           HE2      TYR  14  -3.378  12.292   4.752
  100    HH   TYR  14           HH       TYR  14  -3.115  13.759   1.535
  101    H    GLN  15           HN       GLN  15  -4.055   6.867   4.799
  102    HA   GLN  15           HA       GLN  15  -1.528   8.064   4.537
  103   1HB   GLN  15           HB1      GLN  15  -2.263   5.340   5.763
  104   2HB   GLN  15           HB2      GLN  15  -0.743   6.154   6.080
  105   1HG   GLN  15           HG2      GLN  15  -3.474   7.363   6.717
  106   2HG   GLN  15           HG1      GLN  15  -2.452   6.532   7.878
  107   1HE2  GLN  15          HE21      GLN  15  -1.718  10.392   6.990
  108   2HE2  GLN  15          HE22      GLN  15  -3.056   9.570   6.354
  109    H    LEU  16           HN       LEU  16  -1.913   4.563   3.870
  110    HA   LEU  16           HA       LEU  16   0.405   4.560   2.177
  111   1HB   LEU  16           HB1      LEU  16  -1.655   2.552   2.965
  112   2HB   LEU  16           HB2      LEU  16  -0.898   2.221   1.425
  113    HG   LEU  16           HG       LEU  16   1.364   2.699   2.643
  114   1HD1  LEU  16          HD12      LEU  16   0.252   3.670   4.724
  115   2HD1  LEU  16          HD11      LEU  16  -0.435   2.097   5.034
  116   3HD1  LEU  16          HD13      LEU  16   1.305   2.314   5.088
  117   1HD2  LEU  16          HD21      LEU  16   0.714   0.500   1.893
  118   2HD2  LEU  16          HD23      LEU  16   1.536   0.429   3.439
  119   3HD2  LEU  16          HD22      LEU  16  -0.206   0.263   3.358
  120    H    GLU  17           HN       GLU  17  -2.147   6.172   1.454
  121    HA   GLU  17           HA       GLU  17  -2.504   5.369  -1.380
  122   1HB   GLU  17           HB1      GLU  17  -4.368   6.060   0.417
  123   2HB   GLU  17           HB2      GLU  17  -3.876   7.696   0.005
  124   1HG   GLU  17           HG2      GLU  17  -4.437   7.253  -2.387
  125   2HG   GLU  17           HG1      GLU  17  -5.050   5.673  -1.890
  126    H    ASN  18           HN       ASN  18  -0.599   7.116   0.624
  127    HA   ASN  18           HA       ASN  18   0.267   9.198  -1.291
  128   1HB   ASN  18           HB1      ASN  18   0.502   8.969   1.746
  129   2HB   ASN  18           HB2      ASN  18   1.325  10.205   0.839
  130   1HD2  ASN  18          HD21      ASN  18  -2.255  11.052   2.104
  131   2HD2  ASN  18          HD22      ASN  18  -1.225   9.882   2.777
  132    OH   TYR  19           OH       TYR  19   1.362   8.076   5.948
  133    H    TYR  19           HN       TYR  19   1.044   6.457   0.612
  134    HA   TYR  19           HA       TYR  19   3.966   6.548   0.026
  135   1HB   TYR  19           HB1      TYR  19   2.543   4.175   1.500
  136   2HB   TYR  19           HB2      TYR  19   4.205   4.769   1.634
  137    HD1  TYR  19           HD1      TYR  19   3.534   7.842   1.977
  138    HD2  TYR  19           HD2      TYR  19   1.898   4.291   3.603
  139    HE1  TYR  19           HE1      TYR  19   2.711   9.089   3.921
  140    HE2  TYR  19           HE2      TYR  19   1.061   5.469   5.472
  141    HH   TYR  19           HH       TYR  19   1.438   9.015   5.764
  142    H    CYS  20           HN       CYS  20   2.874   6.612  -2.243
  143    HA   CYS  20           HA       CYS  20   2.110   4.085  -3.407
  144   1HB   CYS  20           HB1      CYS  20   1.092   6.197  -4.052
  145   2HB   CYS  20           HB2      CYS  20   2.640   6.867  -4.459
  146    H    ASN  21           HN       ASN  21   3.077   3.570  -5.413
  147    HA   ASN  21           HA       ASN  21   6.078   3.539  -5.373
  148   1HB   ASN  21           HB1      ASN  21   5.035   1.366  -4.633
  149   2HB   ASN  21           HB2      ASN  21   4.216   1.256  -6.182
  150   1HD2  ASN  21          HD21      ASN  21   7.945  -0.122  -5.883
  151   2HD2  ASN  21          HD22      ASN  21   6.950   0.228  -4.553
  152   1H    PHE   1           HT1      PHE  22 -17.346  -6.716   9.486
  153   2H    PHE   1           HT3      PHE  22 -17.354  -7.171   7.852
  154   3H    PHE   1           HT2      PHE  22 -16.801  -8.259   9.032
  155    HA   PHE   1           HA       PHE  22 -14.757  -7.510   8.826
  156   1HB   PHE   1           HB1      PHE  22 -15.277  -7.114   6.487
  157   2HB   PHE   1           HB2      PHE  22 -16.101  -5.614   6.854
  158    HD1  PHE   1           HD1      PHE  22 -14.805  -3.581   7.458
  159    HD2  PHE   1           HD2      PHE  22 -12.830  -7.201   6.373
  160    HE1  PHE   1           HE1      PHE  22 -12.710  -2.350   7.132
  161    HE2  PHE   1           HE2      PHE  22 -10.738  -5.963   6.050
  162    HZ   PHE   1           HZ       PHE  22 -10.674  -3.533   6.429
  163    H    VAL   2           HN       VAL  23 -13.345  -6.101   9.788
  164    HA   VAL   2           HA       VAL  23 -14.410  -3.633  11.067
  165    HB   VAL   2           HB       VAL  23 -13.199  -4.294  13.188
  166   1HG1  VAL   2          HG12      VAL  23 -15.608  -4.811  12.963
  167   2HG1  VAL   2          HG11      VAL  23 -15.221  -6.364  12.238
  168   3HG1  VAL   2          HG13      VAL  23 -14.778  -6.036  13.905
  169   1HG2  VAL   2          HG21      VAL  23 -11.499  -5.797  12.147
  170   2HG2  VAL   2          HG23      VAL  23 -12.370  -6.610  13.434
  171   3HG2  VAL   2          HG22      VAL  23 -12.759  -6.959  11.757
  172    H    ASN   3           HN       ASN  24 -12.388  -2.801  12.401
  173    HA   ASN   3           HA       ASN  24 -10.405  -1.933  10.386
  174   1HB   ASN   3           HB1      ASN  24 -11.129  -1.032  13.223
  175   2HB   ASN   3           HB2      ASN  24  -9.810  -0.313  12.327
  176   1HD2  ASN   3          HD21      ASN  24 -11.992   1.901  10.704
  177   2HD2  ASN   3          HD22      ASN  24 -10.450   1.592  11.343
  178    H    GLN   4           HN       GLN  25  -9.155  -3.703  10.167
  179    HA   GLN   4           HA       GLN  25  -7.858  -4.944  12.518
  180   1HB   GLN   4           HB1      GLN  25  -9.248  -6.272  10.856
  181   2HB   GLN   4           HB2      GLN  25  -8.075  -5.875   9.624
  182   1HG   GLN   4           HG2      GLN  25  -6.363  -7.205  10.685
  183   2HG   GLN   4           HG1      GLN  25  -7.294  -7.351  12.174
  184   1HE2  GLN   4          HE21      GLN  25  -8.872 -10.257  11.015
  185   2HE2  GLN   4          HE22      GLN  25  -8.376  -9.295  12.325
  186    H    HIS   5           HN       HIS  26  -5.647  -5.888  11.569
  187    HA   HIS   5           HA       HIS  26  -3.979  -3.541  10.937
  188   1HB   HIS   5           HB1      HIS  26  -3.249  -6.240  12.132
  189   2HB   HIS   5           HB2      HIS  26  -2.122  -4.920  11.878
  190    HD1  HIS   5           HD1      HIS  26  -3.041  -2.628  13.199
  191    HD2  HIS   5           HD2      HIS  26  -4.336  -6.220  14.642
  192    HE1  HIS   5           HE1      HIS  26  -3.806  -2.217  15.504
  193    H    LEU   6           HN       LEU  27  -2.121  -3.887   9.928
  194    HA   LEU   6           HA       LEU  27  -2.024  -5.720   7.566
  195   1HB   LEU   6           HB1      LEU  27  -1.380  -2.734   7.666
  196   2HB   LEU   6           HB2      LEU  27  -1.070  -3.745   6.271
  197    HG   LEU   6           HG       LEU  27  -3.872  -3.450   7.441
  198   1HD1  LEU   6          HD12      LEU  27  -2.990  -1.202   6.778
  199   2HD1  LEU   6          HD11      LEU  27  -2.567  -1.831   5.194
  200   3HD1  LEU   6          HD13      LEU  27  -4.253  -1.733   5.683
  201   1HD2  LEU   6          HD22      LEU  27  -2.821  -4.258   4.683
  202   2HD2  LEU   6          HD21      LEU  27  -3.434  -5.381   5.886
  203   3HD2  LEU   6          HD23      LEU  27  -4.511  -4.209   5.153
  204    H    CYS   7           HN       CYS  28  -0.462  -7.051   8.627
  205    HA   CYS   7           HA       CYS  28   2.149  -5.687   9.221
  206   1HB   CYS   7           HB1      CYS  28   1.064  -8.168  10.527
  207   2HB   CYS   7           HB2      CYS  28   2.564  -7.377  10.917
  208    H    GLY   8           HN       GLY  29   3.980  -6.476   8.492
  209   1HA   GLY   8           HA1      GLY  29   5.463  -8.225   7.722
  210   2HA   GLY   8           HA2      GLY  29   4.092  -9.098   7.077
  211    H    SER   9           HN       SER  30   3.288  -8.562   5.127
  212    HA   SER   9           HA       SER  30   4.861  -6.802   3.331
  213   1HB   SER   9           HB1      SER  30   3.445  -9.459   2.724
  214   2HB   SER   9           HB2      SER  30   4.285  -8.462   1.522
  215    HG   SER   9           HG1      SER  30   5.309 -10.158   3.316
  216    H    HIS  10           HN       HIS  31   1.894  -7.752   4.680
  217    HA   HIS  10           HA       HIS  31  -0.195  -7.089   3.083
  218   1HB   HIS  10           HB1      HIS  31   0.199  -6.014   5.918
  219   2HB   HIS  10           HB2      HIS  31  -1.351  -6.198   5.114
  220    HD1  HIS  10           HD1      HIS  31  -1.351  -7.727   7.491
  221    HD2  HIS  10           HD2      HIS  31   0.436  -9.376   4.208
  222    HE1  HIS  10           HE1      HIS  31  -1.270 -10.160   7.886
  223    H    LEU  11           HN       LEU  32   1.749  -4.867   4.849
  224    HA   LEU  11           HA       LEU  32   0.777  -2.353   4.198
  225   1HB   LEU  11           HB1      LEU  32   3.727  -3.162   4.390
  226   2HB   LEU  11           HB2      LEU  32   3.144  -1.525   4.451
  227    HG   LEU  11           HG       LEU  32   3.676  -2.145   6.674
  228   1HD1  LEU  11          HD12      LEU  32   1.600  -0.874   6.523
  229   2HD1  LEU  11          HD11      LEU  32   0.663  -2.353   6.405
  230   3HD1  LEU  11          HD13      LEU  32   1.530  -1.977   7.884
  231   1HD2  LEU  11          HD21      LEU  32   3.763  -4.596   6.437
  232   2HD2  LEU  11          HD23      LEU  32   2.890  -4.098   7.867
  233   3HD2  LEU  11          HD22      LEU  32   2.007  -4.671   6.478
  234    H    VAL  12           HN       VAL  33   3.459  -3.900   2.600
  235    HA   VAL  12           HA       VAL  33   3.886  -2.300   0.385
  236    HB   VAL  12           HB       VAL  33   3.898  -5.332   0.039
  237   1HG1  VAL  12          HG11      VAL  33   5.806  -3.152  -0.846
  238   2HG1  VAL  12          HG13      VAL  33   5.994  -4.861  -1.212
  239   3HG1  VAL  12          HG12      VAL  33   4.624  -3.972  -1.855
  240   1HG2  VAL  12          HG21      VAL  33   4.817  -5.023   2.317
  241   2HG2  VAL  12          HG23      VAL  33   6.034  -5.574   1.182
  242   3HG2  VAL  12          HG22      VAL  33   5.980  -3.885   1.665
  243    H    GLU  13           HN       GLU  34   1.760  -5.137   0.399
  244    HA   GLU  13           HA       GLU  34   0.738  -4.676  -2.218
  245   1HB   GLU  13           HB1      GLU  34  -0.846  -5.883   0.125
  246   2HB   GLU  13           HB2      GLU  34  -1.325  -5.903  -1.563
  247   1HG   GLU  13           HG2      GLU  34  -0.473  -8.087  -1.023
  248   2HG   GLU  13           HG1      GLU  34   0.649  -7.314  -2.115
  249    H    ALA  14           HN       ALA  35  -0.827  -3.760   0.843
  250    HA   ALA  14           HA       ALA  35  -3.009  -2.374  -0.050
  251   1HB   ALA  14           HB2      ALA  35  -2.429  -2.664   2.355
  252   2HB   ALA  14           HB1      ALA  35  -1.115  -1.512   2.197
  253   3HB   ALA  14           HB3      ALA  35  -2.778  -0.974   2.032
  254    H    LEU  15           HN       LEU  36   0.150  -0.791   0.381
  255    HA   LEU  15           HA       LEU  36  -0.810   1.648  -0.846
  256   1HB   LEU  15           HB1      LEU  36   1.687   2.091  -1.199
  257   2HB   LEU  15           HB2      LEU  36   1.207   2.000   0.465
  258    HG   LEU  15           HG       LEU  36   2.084  -0.573   0.004
  259   1HD1  LEU  15          HD12      LEU  36   2.678  -0.056  -2.421
  260   2HD1  LEU  15          HD11      LEU  36   3.749   1.197  -1.841
  261   3HD1  LEU  15          HD13      LEU  36   4.080  -0.487  -1.471
  262   1HD2  LEU  15          HD21      LEU  36   2.975   0.987   1.758
  263   2HD2  LEU  15          HD23      LEU  36   4.261   0.122   0.941
  264   3HD2  LEU  15          HD22      LEU  36   3.929   1.798   0.527
  265    OH   TYR  16           OH       TYR  37   1.072  -7.713  -4.522
  266    H    TYR  16           HN       TYR  37   0.812  -1.219  -2.135
  267    HA   TYR  16           HA       TYR  37   0.916  -0.038  -4.795
  268   1HB   TYR  16           HB1      TYR  37   2.328  -1.795  -5.239
  269   2HB   TYR  16           HB2      TYR  37   2.385  -1.904  -3.507
  270    HD1  TYR  16           HD2      TYR  37  -0.568  -3.626  -5.192
  271    HD2  TYR  16           HD1      TYR  37   3.398  -3.940  -3.620
  272    HE1  TYR  16           HE2      TYR  37  -0.757  -5.903  -5.295
  273    HE2  TYR  16           HE1      TYR  37   3.192  -6.353  -3.655
  274    HH   TYR  16           HH       TYR  37   0.177  -7.922  -4.802
  275    H    LEU  17           HN       LEU  38  -1.590  -1.116  -2.925
  276    HA   LEU  17           HA       LEU  38  -3.097  -2.560  -4.994
  277   1HB   LEU  17           HB1      LEU  38  -3.243  -2.633  -2.284
  278   2HB   LEU  17           HB2      LEU  38  -4.319  -1.273  -2.515
  279    HG   LEU  17           HG       LEU  38  -4.677  -3.963  -3.888
  280   1HD1  LEU  17          HD11      LEU  38  -6.010  -2.849  -1.373
  281   2HD1  LEU  17          HD13      LEU  38  -6.458  -4.354  -2.164
  282   3HD1  LEU  17          HD12      LEU  38  -4.873  -4.188  -1.429
  283   1HD2  LEU  17          HD22      LEU  38  -6.587  -1.601  -3.510
  284   2HD2  LEU  17          HD21      LEU  38  -5.823  -2.064  -5.024
  285   3HD2  LEU  17          HD23      LEU  38  -7.001  -3.124  -4.281
  286    H    VAL  18           HN       VAL  39  -2.851   0.521  -3.357
  287    HA   VAL  18           HA       VAL  39  -4.774   1.967  -4.941
  288    HB   VAL  18           HB       VAL  39  -2.340   3.026  -3.363
  289   1HG1  VAL  18          HG12      VAL  39  -3.409   4.740  -4.850
  290   2HG1  VAL  18          HG11      VAL  39  -4.950   4.470  -4.049
  291   3HG1  VAL  18          HG13      VAL  39  -3.582   5.125  -3.156
  292   1HG2  VAL  18          HG22      VAL  39  -5.204   2.569  -2.410
  293   2HG2  VAL  18          HG21      VAL  39  -3.806   1.629  -1.918
  294   3HG2  VAL  18          HG23      VAL  39  -3.928   3.319  -1.466
  295    H    CYS  19           HN       CYS  40  -1.382   1.377  -5.044
  296    HA   CYS  19           HA       CYS  40  -1.116   2.384  -7.847
  297   1HB   CYS  19           HB1      CYS  40   0.828   2.520  -5.535
  298   2HB   CYS  19           HB2      CYS  40   1.275   2.866  -7.186
  299    H    GLY  20           HN       GLY  41  -1.788  -0.004  -8.150
  300   1HA   GLY  20           HA1      GLY  41   0.678  -1.729  -8.319
  301   2HA   GLY  20           HA2      GLY  41  -0.906  -2.436  -8.047
  302    H    GLU  21           HN       GLU  42   0.727  -0.210 -10.118
  303    HA   GLU  21           HA       GLU  42  -0.574  -1.276 -12.605
  304   1HB   GLU  21           HB1      GLU  42  -1.007   1.172 -11.987
  305   2HB   GLU  21           HB2      GLU  42   0.712   1.469 -12.140
  306   1HG   GLU  21           HG2      GLU  42   0.555   0.627 -14.560
  307   2HG   GLU  21           HG1      GLU  42  -1.182   0.508 -14.344
  308    NH1  ARG  22           NH2      ARG  43   3.616  -4.093  -8.249
  309    NH2  ARG  22           NH1      ARG  43   3.729  -6.222  -7.433
  310    H    ARG  22           HN       ARG  43   1.022  -2.951 -12.329
  311    HA   ARG  22           HA       ARG  43   3.825  -2.208 -13.056
  312   1HB   ARG  22           HB1      ARG  43   4.456  -4.311 -11.996
  313   2HB   ARG  22           HB2      ARG  43   3.415  -3.413 -10.910
  314   1HG   ARG  22           HG2      ARG  43   1.517  -4.881 -12.268
  315   2HG   ARG  22           HG1      ARG  43   2.881  -5.970 -12.375
  316   1HD   ARG  22           HD2      ARG  43   1.581  -4.922  -9.836
  317   2HD   ARG  22           HD1      ARG  43   1.644  -6.582 -10.411
  318    HE   ARG  22           HE       ARG  43   4.189  -6.379 -10.051
  319   1HH1  ARG  22          HH22      ARG  43   3.518  -3.478  -9.031
  320   2HH1  ARG  22          HH21      ARG  43   3.723  -3.718  -7.328
  321   1HH2  ARG  22          HH12      ARG  43   3.717  -7.208  -7.607
  322   2HH2  ARG  22          HH11      ARG  43   3.838  -5.878  -6.500
  323    H    GLY  23           HN       GLY  44   1.259  -2.809 -14.675
  324   1HA   GLY  23           HA1      GLY  44   0.971  -4.837 -16.301
  325   2HA   GLY  23           HA2      GLY  44   1.108  -3.244 -17.000
  326    H    GLY  24           HN       GLY  45   3.407  -2.586 -17.245
  327   1HA   GLY  24           HA1      GLY  45   4.964  -4.721 -18.671
  328   2HA   GLY  24           HA2      GLY  45   4.900  -3.035 -19.184
  329    H    PHE  25           HN       PHE  46   7.323  -3.889 -18.962
  330    HA   PHE  25           HA       PHE  46   8.352  -2.717 -16.426
  331   1HB   PHE  25           HB1      PHE  46   9.373  -5.293 -17.697
  332   2HB   PHE  25           HB2      PHE  46  10.055  -4.520 -16.270
  333    HD1  PHE  25           HD1      PHE  46   8.129  -3.890 -14.423
  334    HD2  PHE  25           HD2      PHE  46   7.896  -7.064 -17.260
  335    HE1  PHE  25           HE1      PHE  46   6.493  -5.039 -13.010
  336    HE2  PHE  25           HE2      PHE  46   6.257  -8.207 -15.840
  337    HZ   PHE  25           HZ       PHE  46   5.551  -7.198 -13.711
  338    OH   TYR  26           OH       TYR  47  11.971  -8.230 -17.186
  339    H    TYR  26           HN       TYR  47   9.633  -4.046 -19.372
  340    HA   TYR  26           HA       TYR  47  11.334  -1.584 -19.707
  341   1HB   TYR  26           HB1      TYR  47  12.314  -3.793 -21.372
  342   2HB   TYR  26           HB2      TYR  47  13.129  -2.960 -20.076
  343    HD1  TYR  26           HD1      TYR  47  12.457  -3.750 -17.614
  344    HD2  TYR  26           HD2      TYR  47  11.845  -6.053 -21.142
  345    HE1  TYR  26           HE1      TYR  47  12.343  -5.791 -16.264
  346    HE2  TYR  26           HE2      TYR  47  11.738  -8.088 -19.794
  347    HH   TYR  26           HH       TYR  47  12.118  -7.995 -16.267
  348    H    THR  27           HN       THR  48   8.726  -1.700 -20.411
  349    HA   THR  27           HA       THR  48   8.780  -1.542 -23.392
  350    HB   THR  27           HB       THR  48   6.133  -2.032 -22.994
  351    HG1  THR  27           HG1      THR  48   5.823  -2.621 -21.001
  352   1HG2  THR  27          HG21      THR  48   8.247  -4.251 -22.782
  353   2HG2  THR  27          HG23      THR  48   6.583  -4.439 -23.313
  354   3HG2  THR  27          HG22      THR  48   7.717  -3.532 -24.293
  355    HA   PRO  28           HA       PRO  49   4.872   0.557 -21.159
  356   1HB   PRO  28           HB1      PRO  49   6.701   2.861 -20.452
  357   2HB   PRO  28           HB2      PRO  49   5.060   2.559 -19.864
  358   1HG   PRO  28           HG2      PRO  49   7.236   1.604 -18.494
  359   2HG   PRO  28           HG1      PRO  49   5.729   0.697 -18.545
  360   1HD   PRO  28           HD1      PRO  49   8.309  -0.006 -19.794
  361   2HD   PRO  28           HD2      PRO  49   6.838  -1.001 -19.728
  362    H    LYS  29           HN       LYS  50   4.446   3.357 -21.658
  363    HA   LYS  29           HA       LYS  50   4.624   3.440 -24.651
  364   1HB   LYS  29           HB1      LYS  50   2.276   4.260 -22.889
  365   2HB   LYS  29           HB2      LYS  50   2.360   4.517 -24.625
  366   1HG   LYS  29           HG2      LYS  50   2.745   1.957 -24.823
  367   2HG   LYS  29           HG1      LYS  50   2.238   1.867 -23.143
  368   1HD   LYS  29           HD2      LYS  50   0.090   3.001 -23.732
  369   2HD   LYS  29           HD1      LYS  50   0.586   3.091 -25.413
  370   1HE   LYS  29           HE2      LYS  50  -0.859   1.154 -25.169
  371   2HE   LYS  29           HE1      LYS  50   0.778   0.564 -25.425
  372   1HZ   LYS  29           HZ1      LYS  50   0.395   0.955 -22.684
  373   2HZ   LYS  29           HZ3      LYS  50  -0.919   0.060 -23.279
  374   3HZ   LYS  29           HZ2      LYS  50   0.667  -0.497 -23.522
  375    H    THR  30           HN       THR  51   3.674   5.829 -25.199
  376    HA   THR  30           HA       THR  51   5.520   7.752 -23.837
  377    HB   THR  30           HB       THR  51   5.546   8.958 -26.074
  378    HG1  THR  30           HG1      THR  51   3.415   7.333 -26.349
  379   1HG2  THR  30          HG22      THR  51   7.195   6.993 -25.770
  380   2HG2  THR  30          HG21      THR  51   5.983   5.936 -26.476
  381   3HG2  THR  30          HG23      THR  51   6.683   7.230 -27.432
   

 Raw file had 381 H/Q atoms
  Start of MODEL    6
    1   1H    GLY   1           HT1      GLY   1   9.774  10.278  -1.021
    2   2H    GLY   1           HT3      GLY   1   9.117  11.426  -2.086
    3   3H    GLY   1           HT2      GLY   1   9.940  11.935  -0.690
    4   1HA   GLY   1           HA1      GLY   1   8.072  11.944   0.455
    5   2HA   GLY   1           HA2      GLY   1   7.219  11.407  -0.993
    6    H    ILE   2           HN       ILE   2   6.271  10.574   1.321
    7    HA   ILE   2           HA       ILE   2   6.860   8.545   2.882
    8    HB   ILE   2           HB       ILE   2   4.585   7.691   2.805
    9   1HG1  ILE   2          HG12      ILE   2   4.322   9.037   0.073
   10   2HG1  ILE   2          HG11      ILE   2   4.286   7.319   0.380
   11   1HG2  ILE   2          HG22      ILE   2   4.935   9.962   3.736
   12   2HG2  ILE   2          HG21      ILE   2   4.631  10.683   2.166
   13   3HG2  ILE   2          HG23      ILE   2   3.349   9.840   3.012
   14   1HD1  ILE   2           HD2      ILE   2   2.243   7.508   1.693
   15   2HD1  ILE   2           HD1      ILE   2   2.179   9.233   1.367
   16   3HD1  ILE   2           HD3      ILE   2   2.038   8.090   0.046
   17    H    VAL   3           HN       VAL   3   6.045   7.820  -0.442
   18    HA   VAL   3           HA       VAL   3   6.043   5.156  -0.471
   19    HB   VAL   3           HB       VAL   3   6.141   7.296  -2.309
   20   1HG1  VAL   3          HG11      VAL   3   8.155   5.207  -3.234
   21   2HG1  VAL   3          HG13      VAL   3   7.523   6.526  -4.206
   22   3HG1  VAL   3          HG12      VAL   3   8.533   6.874  -2.813
   23   1HG2  VAL   3          HG22      VAL   3   5.747   4.298  -2.834
   24   2HG2  VAL   3          HG21      VAL   3   4.508   5.435  -2.313
   25   3HG2  VAL   3          HG23      VAL   3   5.220   5.587  -3.905
   26    H    GLU   4           HN       GLU   4   8.900   7.023  -0.277
   27    HA   GLU   4           HA       GLU   4  10.730   4.661  -0.511
   28   1HB   GLU   4           HB1      GLU   4  11.203   6.813  -1.773
   29   2HB   GLU   4           HB2      GLU   4  11.307   7.654  -0.240
   30   1HG   GLU   4           HG2      GLU   4  13.549   6.960  -1.233
   31   2HG   GLU   4           HG1      GLU   4  13.319   6.393   0.402
   32    H    GLN   5           HN       GLN   5   8.936   4.586   1.542
   33    HA   GLN   5           HA       GLN   5  10.642   5.079   3.943
   34   1HB   GLN   5           HB1      GLN   5   8.281   6.169   3.969
   35   2HB   GLN   5           HB2      GLN   5   7.612   4.555   3.904
   36   1HG   GLN   5           HG2      GLN   5   7.640   5.223   6.213
   37   2HG   GLN   5           HG1      GLN   5   8.855   3.977   6.002
   38   1HE2  GLN   5          HE21      GLN   5  10.898   7.441   5.991
   39   2HE2  GLN   5          HE22      GLN   5   9.981   6.933   4.658
   40    H    CYS   6           HN       CYS   6   8.052   2.975   2.753
   41    HA   CYS   6           HA       CYS   6   8.510   0.641   4.152
   42   1HB   CYS   6           HB1      CYS   6   7.902   0.743   1.217
   43   2HB   CYS   6           HB2      CYS   6   7.565  -0.601   2.273
   44    H    CYS   7           HN       CYS   7  10.456   1.780   1.484
   45    HA   CYS   7           HA       CYS   7  11.976  -0.766   1.339
   46   1HB   CYS   7           HB1      CYS   7  11.402   0.394  -0.730
   47   2HB   CYS   7           HB2      CYS   7  12.195   1.848  -0.208
   48    H    THR   8           HN       THR   8  13.136   2.627   1.393
   49    HA   THR   8           HA       THR   8  15.600   2.468   2.375
   50    HB   THR   8           HB       THR   8  14.374   4.677   1.984
   51    HG1  THR   8           HG1      THR   8  15.324   4.463   4.660
   52   1HG2  THR   8          HG22      THR   8  12.366   4.186   3.413
   53   2HG2  THR   8          HG21      THR   8  13.349   4.373   4.853
   54   3HG2  THR   8          HG23      THR   8  13.155   5.719   3.773
   55    H    SER   9           HN       SER   9  12.826   2.482   4.432
   56    HA   SER   9           HA       SER   9  14.119   0.956   6.594
   57   1HB   SER   9           HB1      SER   9  12.420   3.519   6.875
   58   2HB   SER   9           HB2      SER   9  13.161   2.624   8.210
   59    HG   SER   9           HG1      SER   9  14.611   3.763   6.016
   60    H    ILE  10           HN       ILE  10  11.310   1.443   7.895
   61    HA   ILE  10           HA       ILE  10   9.732  -0.244   5.969
   62    HB   ILE  10           HB       ILE  10   9.994  -0.538   9.002
   63   1HG1  ILE  10          HG12      ILE  10  10.829  -2.302   6.635
   64   2HG1  ILE  10          HG11      ILE  10  11.919  -1.374   7.644
   65   1HG2  ILE  10          HG21      ILE  10   8.269  -2.118   7.024
   66   2HG2  ILE  10          HG23      ILE  10   8.473  -2.522   8.721
   67   3HG2  ILE  10          HG22      ILE  10   7.661  -1.047   8.274
   68   1HD1  ILE  10           HD2      ILE  10  11.307  -2.728   9.612
   69   2HD1  ILE  10           HD1      ILE  10  10.225  -3.684   8.608
   70   3HD1  ILE  10           HD3      ILE  10  11.952  -3.717   8.311
   71    H    CYS  11           HN       CYS  11   7.439  -0.128   6.224
   72    HA   CYS  11           HA       CYS  11   6.444   2.496   7.266
   73   1HB   CYS  11           HB1      CYS  11   4.923   2.570   5.369
   74   2HB   CYS  11           HB2      CYS  11   6.570   2.431   4.834
   75    H    SER  12           HN       SER  12   3.844   2.277   6.895
   76    HA   SER  12           HA       SER  12   2.915   0.042   8.664
   77   1HB   SER  12           HB1      SER  12   1.311   1.642   9.628
   78   2HB   SER  12           HB2      SER  12   2.886   2.444   9.614
   79    HG   SER  12           HG1      SER  12   1.773   2.805   7.227
   80    H    LEU  13           HN       LEU  13   0.270   0.682   8.389
   81    HA   LEU  13           HA       LEU  13  -0.364  -0.455   5.718
   82   1HB   LEU  13           HB1      LEU  13  -2.581  -1.010   6.756
   83   2HB   LEU  13           HB2      LEU  13  -1.236  -1.751   7.585
   84    HG   LEU  13           HG       LEU  13  -2.176   0.937   8.650
   85   1HD1  LEU  13          HD11      LEU  13  -3.631  -1.707   9.163
   86   2HD1  LEU  13          HD13      LEU  13  -3.950  -0.187   9.984
   87   3HD1  LEU  13          HD12      LEU  13  -4.298  -0.347   8.273
   88   1HD2  LEU  13          HD21      LEU  13  -0.244  -0.347   9.720
   89   2HD2  LEU  13          HD23      LEU  13  -1.601  -0.149  10.808
   90   3HD2  LEU  13          HD22      LEU  13  -1.339  -1.683  10.000
   91    OH   TYR  14           OH       TYR  14  -4.024   9.639   5.681
   92    H    TYR  14           HN       TYR  14  -0.311   2.521   7.210
   93    HA   TYR  14           HA       TYR  14  -2.581   3.577   5.591
   94   1HB   TYR  14           HB1      TYR  14  -2.754   4.121   8.037
   95   2HB   TYR  14           HB2      TYR  14  -1.113   4.763   8.029
   96    HD1  TYR  14           HD1      TYR  14  -4.337   5.160   6.148
   97    HD2  TYR  14           HD2      TYR  14  -0.888   7.095   7.720
   98    HE1  TYR  14           HE1      TYR  14  -5.201   7.323   5.386
   99    HE2  TYR  14           HE2      TYR  14  -1.754   9.254   6.960
  100    HH   TYR  14           HH       TYR  14  -3.415  10.327   5.962
  101    H    GLN  15           HN       GLN  15   0.892   4.035   6.326
  102    HA   GLN  15           HA       GLN  15   1.329   6.344   4.716
  103   1HB   GLN  15           HB1      GLN  15   3.083   3.838   5.089
  104   2HB   GLN  15           HB2      GLN  15   3.689   5.347   4.424
  105   1HG   GLN  15           HG2      GLN  15   2.486   5.029   7.216
  106   2HG   GLN  15           HG1      GLN  15   4.201   5.164   6.862
  107   1HE2  GLN  15          HE21      GLN  15   1.991   8.495   7.166
  108   2HE2  GLN  15          HE22      GLN  15   1.415   6.962   7.607
  109    H    LEU  16           HN       LEU  16   1.775   2.997   3.791
  110    HA   LEU  16           HA       LEU  16   1.786   3.130   1.044
  111   1HB   LEU  16           HB1      LEU  16   1.562   1.044   2.856
  112   2HB   LEU  16           HB2      LEU  16   0.072   0.908   1.943
  113    HG   LEU  16           HG       LEU  16   1.756   1.453  -0.128
  114   1HD1  LEU  16          HD12      LEU  16   3.677   1.639   1.429
  115   2HD1  LEU  16          HD11      LEU  16   3.459  -0.032   1.890
  116   3HD1  LEU  16          HD13      LEU  16   3.926   0.362   0.242
  117   1HD2  LEU  16          HD21      LEU  16   0.300  -0.495   0.026
  118   2HD2  LEU  16          HD23      LEU  16   1.918  -0.882  -0.558
  119   3HD2  LEU  16          HD22      LEU  16   1.463  -1.258   1.091
  120    H    GLU  17           HN       GLU  17  -1.057   3.022   2.998
  121    HA   GLU  17           HA       GLU  17  -3.126   2.798   1.163
  122   1HB   GLU  17           HB1      GLU  17  -3.314   3.034   3.699
  123   2HB   GLU  17           HB2      GLU  17  -3.146   4.773   3.496
  124   1HG   GLU  17           HG2      GLU  17  -5.123   4.933   2.204
  125   2HG   GLU  17           HG1      GLU  17  -5.367   3.189   2.202
  126    H    ASN  18           HN       ASN  18  -1.098   5.476   1.744
  127    HA   ASN  18           HA       ASN  18  -2.495   7.311  -0.068
  128   1HB   ASN  18           HB1      ASN  18  -0.059   7.546   1.755
  129   2HB   ASN  18           HB2      ASN  18  -0.486   8.818   0.634
  130   1HD2  ASN  18          HD21      ASN  18  -2.688   8.337   4.012
  131   2HD2  ASN  18          HD22      ASN  18  -1.584   7.123   3.596
  132    OH   TYR  19           OH       TYR  19   6.154   3.836   2.352
  133    H    TYR  19           HN       TYR  19   0.539   5.641   0.210
  134    HA   TYR  19           HA       TYR  19   2.092   6.291  -1.952
  135   1HB   TYR  19           HB1      TYR  19   1.428   3.298  -1.303
  136   2HB   TYR  19           HB2      TYR  19   2.548   3.875  -2.532
  137    HD1  TYR  19           HD2      TYR  19   2.349   5.574   0.659
  138    HD2  TYR  19           HD1      TYR  19   4.315   2.567  -1.565
  139    HE1  TYR  19           HE2      TYR  19   3.997   5.403   2.405
  140    HE2  TYR  19           HE1      TYR  19   6.051   2.421   0.148
  141    HH   TYR  19           HH       TYR  19   5.867   4.335   3.120
  142    H    CYS  20           HN       CYS  20  -0.617   4.188  -2.155
  143    HA   CYS  20           HA       CYS  20  -1.319   3.119  -4.257
  144   1HB   CYS  20           HB1      CYS  20  -2.858   5.283  -2.935
  145   2HB   CYS  20           HB2      CYS  20  -3.569   4.508  -4.311
  146    H    ASN  21           HN       ASN  21  -2.415   3.221  -6.022
  147    HA   ASN  21           HA       ASN  21  -1.889   5.452  -7.964
  148   1HB   ASN  21           HB1      ASN  21  -1.682   2.441  -8.431
  149   2HB   ASN  21           HB2      ASN  21  -1.701   3.620  -9.738
  150   1HD2  ASN  21          HD21      ASN  21   1.785   2.819  -8.103
  151   2HD2  ASN  21          HD22      ASN  21   0.435   1.790  -8.089
  152   1H    PHE   1           HT1      PHE  22   2.854 -12.254  11.910
  153   2H    PHE   1           HT3      PHE  22   1.283 -11.644  12.107
  154   3H    PHE   1           HT2      PHE  22   1.732 -12.378  10.643
  155    HA   PHE   1           HA       PHE  22   2.390 -10.461   9.833
  156   1HB   PHE   1           HB1      PHE  22   0.644  -9.384  11.135
  157   2HB   PHE   1           HB2      PHE  22   1.592  -9.477  12.607
  158    HD1  PHE   1           HD1      PHE  22   1.866  -8.016   9.135
  159    HD2  PHE   1           HD2      PHE  22   2.735  -7.562  13.285
  160    HE1  PHE   1           HE1      PHE  22   2.830  -5.792   8.701
  161    HE2  PHE   1           HE2      PHE  22   3.681  -5.348  12.842
  162    HZ   PHE   1           HZ       PHE  22   3.728  -4.458  10.551
  163    H    VAL   2           HN       VAL  23   4.193  -9.255   9.529
  164    HA   VAL   2           HA       VAL  23   6.395  -9.334  11.510
  165    HB   VAL   2           HB       VAL  23   7.975  -9.821   9.561
  166   1HG1  VAL   2          HG12      VAL  23   7.283 -11.628  11.112
  167   2HG1  VAL   2          HG11      VAL  23   5.870 -11.962  10.121
  168   3HG1  VAL   2          HG13      VAL  23   7.481 -12.252   9.483
  169   1HG2  VAL   2          HG21      VAL  23   6.431  -9.142   7.706
  170   2HG2  VAL   2          HG23      VAL  23   7.009 -10.782   7.486
  171   3HG2  VAL   2          HG22      VAL  23   5.385 -10.501   8.086
  172    H    ASN   3           HN       ASN  24   8.049  -7.841  10.951
  173    HA   ASN   3           HA       ASN  24   7.049  -5.360   9.582
  174   1HB   ASN   3           HB1      ASN  24   8.951  -5.525  11.995
  175   2HB   ASN   3           HB2      ASN  24   8.251  -4.070  11.295
  176   1HD2  ASN   3          HD21      ASN  24   5.403  -4.276  13.338
  177   2HD2  ASN   3          HD22      ASN  24   6.448  -3.314  12.411
  178    H    GLN   4           HN       GLN  25   7.985  -6.299   7.695
  179    HA   GLN   4           HA       GLN  25  10.957  -6.267   7.578
  180   1HB   GLN   4           HB1      GLN  25   9.594  -8.480   7.271
  181   2HB   GLN   4           HB2      GLN  25   9.027  -7.779   5.782
  182   1HG   GLN   4           HG2      GLN  25  10.917  -9.400   5.516
  183   2HG   GLN   4           HG1      GLN  25  11.255  -7.851   4.789
  184   1HE2  GLN   4          HE21      GLN  25  13.563  -9.241   7.823
  185   2HE2  GLN   4          HE22      GLN  25  12.251 -10.134   7.224
  186    H    HIS   5           HN       HIS  26  11.375  -6.149   4.987
  187    HA   HIS   5           HA       HIS  26  10.428  -3.482   4.162
  188   1HB   HIS   5           HB1      HIS  26  12.771  -5.182   3.216
  189   2HB   HIS   5           HB2      HIS  26  12.381  -3.595   2.575
  190    HD1  HIS   5           HD1      HIS  26  12.326  -1.730   4.603
  191    HD2  HIS   5           HD2      HIS  26  14.537  -5.089   5.296
  192    HE1  HIS   5           HE1      HIS  26  13.893  -1.175   6.442
  193    H    LEU   6           HN       LEU  27   9.794  -3.151   2.201
  194    HA   LEU   6           HA       LEU  27   8.944  -5.417   0.440
  195   1HB   LEU   6           HB1      LEU  27   7.272  -3.064   1.427
  196   2HB   LEU   6           HB2      LEU  27   6.793  -3.993   0.021
  197    HG   LEU   6           HG       LEU  27   7.318  -5.285   2.743
  198   1HD1  LEU   6          HD11      LEU  27   4.671  -4.423   1.487
  199   2HD1  LEU   6          HD13      LEU  27   4.840  -5.338   2.977
  200   3HD1  LEU   6          HD12      LEU  27   5.415  -3.682   2.896
  201   1HD2  LEU   6          HD22      LEU  27   5.837  -6.256   0.241
  202   2HD2  LEU   6          HD21      LEU  27   7.419  -6.823   0.748
  203   3HD2  LEU   6          HD23      LEU  27   6.011  -7.163   1.733
  204    H    CYS   7           HN       CYS  28  11.077  -4.582  -0.438
  205    HA   CYS   7           HA       CYS  28  10.562  -2.348  -2.385
  206   1HB   CYS   7           HB1      CYS  28  12.379  -2.187  -0.505
  207   2HB   CYS   7           HB2      CYS  28  13.309  -3.233  -1.538
  208    H    GLY   8           HN       GLY  29  11.431  -2.565  -4.457
  209   1HA   GLY   8           HA1      GLY  29  12.501  -3.740  -6.261
  210   2HA   GLY   8           HA2      GLY  29  12.380  -5.243  -5.356
  211    H    SER   9           HN       SER  30  10.046  -2.767  -6.204
  212    HA   SER   9           HA       SER  30   8.240  -2.745  -7.737
  213   1HB   SER   9           HB1      SER  30   9.118  -4.901  -8.977
  214   2HB   SER   9           HB2      SER  30   8.271  -5.860  -7.752
  215    HG   SER   9           HG1      SER  30   6.650  -3.919  -8.575
  216    H    HIS  10           HN       HIS  31   8.619  -5.046  -5.234
  217    HA   HIS  10           HA       HIS  31   6.190  -5.755  -4.275
  218   1HB   HIS  10           HB1      HIS  31   8.459  -4.507  -2.663
  219   2HB   HIS  10           HB2      HIS  31   7.133  -5.399  -1.923
  220    HD1  HIS  10           HD1      HIS  31   9.585  -6.111  -4.707
  221    HD2  HIS  10           HD2      HIS  31   7.831  -8.023  -1.558
  222    HE1  HIS  10           HE1      HIS  31  10.493  -8.405  -4.696
  223    H    LEU  11           HN       LEU  32   7.688  -2.643  -3.707
  224    HA   LEU  11           HA       LEU  32   5.736  -1.233  -2.314
  225   1HB   LEU  11           HB1      LEU  32   7.436  -0.130  -4.615
  226   2HB   LEU  11           HB2      LEU  32   6.603   0.843  -3.427
  227    HG   LEU  11           HG       LEU  32   8.824  -1.132  -2.780
  228   1HD1  LEU  11          HD11      LEU  32   8.894   1.908  -3.073
  229   2HD1  LEU  11          HD13      LEU  32  10.233   0.914  -2.527
  230   3HD1  LEU  11          HD12      LEU  32   9.644   0.760  -4.170
  231   1HD2  LEU  11          HD21      LEU  32   7.259  -0.616  -0.866
  232   2HD2  LEU  11          HD23      LEU  32   8.858   0.052  -0.602
  233   3HD2  LEU  11          HD22      LEU  32   7.544   1.098  -1.118
  234    H    VAL  12           HN       VAL  33   6.190  -0.774  -5.763
  235    HA   VAL  12           HA       VAL  33   3.969   0.468  -6.621
  236    HB   VAL  12           HB       VAL  33   5.044  -2.033  -8.042
  237   1HG1  VAL  12          HG11      VAL  33   3.713   0.451  -9.181
  238   2HG1  VAL  12          HG13      VAL  33   4.383  -0.868 -10.128
  239   3HG1  VAL  12          HG12      VAL  33   3.000  -1.152  -9.099
  240   1HG2  VAL  12          HG22      VAL  33   6.078   0.808  -8.230
  241   2HG2  VAL  12          HG21      VAL  33   6.924  -0.537  -7.482
  242   3HG2  VAL  12          HG23      VAL  33   6.628  -0.546  -9.205
  243    H    GLU  13           HN       GLU  34   4.054  -2.979  -6.220
  244    HA   GLU  13           HA       GLU  34   1.264  -3.248  -6.899
  245   1HB   GLU  13           HB1      GLU  34   2.966  -5.292  -5.387
  246   2HB   GLU  13           HB2      GLU  34   1.521  -5.587  -6.351
  247   1HG   GLU  13           HG2      GLU  34   2.706  -4.932  -8.422
  248   2HG   GLU  13           HG1      GLU  34   4.115  -4.438  -7.513
  249    H    ALA  14           HN       ALA  35   2.826  -3.767  -3.729
  250    HA   ALA  14           HA       ALA  35   0.546  -4.216  -2.225
  251   1HB   ALA  14           HB1      ALA  35   3.012  -2.580  -1.464
  252   2HB   ALA  14           HB3      ALA  35   1.889  -3.288  -0.307
  253   3HB   ALA  14           HB2      ALA  35   2.866  -4.325  -1.334
  254    H    LEU  15           HN       LEU  36   1.892  -1.067  -3.052
  255    HA   LEU  15           HA       LEU  36  -0.209   0.433  -1.721
  256   1HB   LEU  15           HB1      LEU  36   0.820   2.346  -2.988
  257   2HB   LEU  15           HB2      LEU  36   2.033   1.404  -2.140
  258    HG   LEU  15           HG       LEU  36   2.098   0.250  -4.592
  259   1HD1  LEU  15          HD11      LEU  36   1.366   3.162  -5.052
  260   2HD1  LEU  15          HD13      LEU  36   1.943   2.026  -6.258
  261   3HD1  LEU  15          HD12      LEU  36   0.374   1.785  -5.505
  262   1HD2  LEU  15          HD21      LEU  36   4.055   1.278  -3.348
  263   2HD2  LEU  15          HD23      LEU  36   4.090   1.720  -5.042
  264   3HD2  LEU  15          HD22      LEU  36   3.546   2.870  -3.866
  265    OH   TYR  16           OH       TYR  37   0.498  -5.557  -9.633
  266    H    TYR  16           HN       TYR  37   0.267  -0.734  -5.029
  267    HA   TYR  16           HA       TYR  37  -2.260   0.535  -5.817
  268   1HB   TYR  16           HB1      TYR  37  -1.688  -0.074  -8.002
  269   2HB   TYR  16           HB2      TYR  37  -0.115  -0.046  -7.253
  270    HD1  TYR  16           HD2      TYR  37  -2.121  -3.267  -6.850
  271    HD2  TYR  16           HD1      TYR  37   0.844  -1.089  -9.030
  272    HE1  TYR  16           HE2      TYR  37  -1.488  -5.229  -7.843
  273    HE2  TYR  16           HE1      TYR  37   1.567  -3.157 -10.060
  274    HH   TYR  16           HH       TYR  37  -0.114  -6.243  -9.358
  275    H    LEU  17           HN       LEU  38  -1.555  -2.016  -3.851
  276    HA   LEU  17           HA       LEU  38  -3.697  -3.834  -4.784
  277   1HB   LEU  17           HB1      LEU  38  -1.282  -4.348  -3.539
  278   2HB   LEU  17           HB2      LEU  38  -2.331  -4.283  -2.144
  279    HG   LEU  17           HG       LEU  38  -2.758  -6.041  -4.597
  280   1HD1  LEU  17          HD11      LEU  38  -1.835  -6.773  -1.782
  281   2HD1  LEU  17          HD13      LEU  38  -2.174  -7.910  -3.080
  282   3HD1  LEU  17          HD12      LEU  38  -0.840  -6.779  -3.233
  283   1HD2  LEU  17          HD22      LEU  38  -4.258  -5.928  -1.959
  284   2HD2  LEU  17          HD21      LEU  38  -4.909  -5.453  -3.522
  285   3HD2  LEU  17          HD23      LEU  38  -4.515  -7.130  -3.220
  286    H    VAL  18           HN       VAL  39  -2.803  -1.746  -2.055
  287    HA   VAL  18           HA       VAL  39  -5.143  -2.001  -0.466
  288    HB   VAL  18           HB       VAL  39  -3.540   0.595  -1.022
  289   1HG1  VAL  18          HG11      VAL  39  -5.555  -0.046   1.192
  290   2HG1  VAL  18          HG13      VAL  39  -4.628   1.434   1.078
  291   3HG1  VAL  18          HG12      VAL  39  -5.835   1.070  -0.133
  292   1HG2  VAL  18          HG21      VAL  39  -2.171  -1.156   0.136
  293   2HG2  VAL  18          HG23      VAL  39  -2.472   0.220   1.182
  294   3HG2  VAL  18          HG22      VAL  39  -3.389  -1.264   1.397
  295    H    CYS  19           HN       CYS  40  -4.267  -0.133  -3.212
  296    HA   CYS  19           HA       CYS  40  -7.109   0.541  -3.875
  297   1HB   CYS  19           HB1      CYS  40  -4.526   1.796  -4.836
  298   2HB   CYS  19           HB2      CYS  40  -6.142   2.311  -5.228
  299    H    GLY  20           HN       GLY  41  -6.286  -1.944  -4.327
  300   1HA   GLY  20           HA1      GLY  41  -6.183  -2.251  -7.300
  301   2HA   GLY  20           HA2      GLY  41  -5.155  -3.295  -6.313
  302    H    GLU  21           HN       GLU  42  -6.767  -3.939  -4.265
  303    HA   GLU  21           HA       GLU  42  -8.970  -5.469  -5.575
  304   1HB   GLU  21           HB1      GLU  42  -8.591  -7.284  -4.109
  305   2HB   GLU  21           HB2      GLU  42  -6.963  -6.754  -4.465
  306   1HG   GLU  21           HG2      GLU  42  -6.873  -5.496  -2.293
  307   2HG   GLU  21           HG1      GLU  42  -8.519  -5.982  -1.937
  308    NH1  ARG  22           NH2      ARG  43  -9.976  -5.632   1.906
  309    NH2  ARG  22           NH1      ARG  43  -8.287  -5.878   3.418
  310    H    ARG  22           HN       ARG  43  -8.014  -3.609  -2.832
  311    HA   ARG  22           HA       ARG  43 -10.900  -3.399  -2.005
  312   1HB   ARG  22           HB1      ARG  43 -10.089  -3.083   0.287
  313   2HB   ARG  22           HB2      ARG  43  -9.485  -4.572  -0.398
  314   1HG   ARG  22           HG2      ARG  43  -7.334  -3.157  -0.985
  315   2HG   ARG  22           HG1      ARG  43  -7.961  -2.036   0.214
  316   1HD   ARG  22           HD2      ARG  43  -7.213  -4.953   0.645
  317   2HD   ARG  22           HD1      ARG  43  -6.497  -3.536   1.403
  318    HE   ARG  22           HE       ARG  43  -8.691  -3.214   2.597
  319   1HH1  ARG  22          HH22      ARG  43 -10.425  -5.083   1.202
  320   2HH1  ARG  22          HH21      ARG  43 -10.354  -6.521   2.164
  321   1HH2  ARG  22          HH12      ARG  43  -7.460  -5.513   3.845
  322   2HH2  ARG  22          HH11      ARG  43  -8.646  -6.767   3.700
  323    H    GLY  23           HN       GLY  44 -10.216  -1.952  -3.960
  324   1HA   GLY  23           HA1      GLY  44 -10.140   0.883  -3.007
  325   2HA   GLY  23           HA2      GLY  44  -9.317   0.359  -4.492
  326    H    GLY  24           HN       GLY  45 -10.763   1.809  -5.677
  327   1HA   GLY  24           HA1      GLY  45 -12.560   1.171  -7.358
  328   2HA   GLY  24           HA2      GLY  45 -13.558   0.747  -5.983
  329    H    PHE  25           HN       PHE  46 -14.811   2.190  -7.441
  330    HA   PHE  25           HA       PHE  46 -14.676   5.025  -6.519
  331   1HB   PHE  25           HB1      PHE  46 -15.874   5.519  -8.760
  332   2HB   PHE  25           HB2      PHE  46 -14.202   5.020  -8.899
  333    HD1  PHE  25           HD1      PHE  46 -13.777   2.441  -9.298
  334    HD2  PHE  25           HD2      PHE  46 -17.526   4.348 -10.013
  335    HE1  PHE  25           HE1      PHE  46 -14.444   0.594 -10.754
  336    HE2  PHE  25           HE2      PHE  46 -18.183   2.491 -11.473
  337    HZ   PHE  25           HZ       PHE  46 -16.644   0.611 -11.847
  338    OH   TYR  26           OH       TYR  47 -25.101   3.058  -6.041
  339    H    TYR  26           HN       TYR  47 -16.974   2.909  -8.019
  340    HA   TYR  26           HA       TYR  47 -18.936   3.278  -5.813
  341   1HB   TYR  26           HB1      TYR  47 -19.486   4.900  -7.706
  342   2HB   TYR  26           HB2      TYR  47 -19.620   3.529  -8.795
  343    HD1  TYR  26           HD1      TYR  47 -21.411   1.742  -8.304
  344    HD2  TYR  26           HD2      TYR  47 -21.272   5.455  -6.217
  345    HE1  TYR  26           HE1      TYR  47 -23.715   1.411  -7.553
  346    HE2  TYR  26           HE2      TYR  47 -23.577   5.119  -5.470
  347    HH   TYR  26           HH       TYR  47 -25.541   2.482  -6.671
  348    H    THR  27           HN       THR  48 -19.271   1.305  -5.118
  349    HA   THR  27           HA       THR  48 -19.300  -0.997  -7.040
  350    HB   THR  27           HB       THR  48 -18.455  -2.364  -5.023
  351    HG1  THR  27           HG1      THR  48 -18.880  -1.384  -3.224
  352   1HG2  THR  27          HG22      THR  48 -16.730  -1.150  -6.509
  353   2HG2  THR  27          HG21      THR  48 -16.811   0.212  -5.405
  354   3HG2  THR  27          HG23      THR  48 -16.208  -1.337  -4.845
  355    HA   PRO  28           HA       PRO  49 -23.323  -2.022  -5.232
  356   1HB   PRO  28           HB1      PRO  49 -23.284  -4.728  -5.042
  357   2HB   PRO  28           HB2      PRO  49 -23.337  -3.911  -6.609
  358   1HG   PRO  28           HG2      PRO  49 -20.844  -4.889  -5.099
  359   2HG   PRO  28           HG1      PRO  49 -21.343  -5.314  -6.743
  360   1HD   PRO  28           HD1      PRO  49 -19.585  -3.295  -6.395
  361   2HD   PRO  28           HD2      PRO  49 -20.890  -3.085  -7.581
  362    H    LYS  29           HN       LYS  50 -20.649  -1.770  -3.488
  363    HA   LYS  29           HA       LYS  50 -21.866  -2.826  -0.974
  364   1HB   LYS  29           HB1      LYS  50 -18.931  -2.427  -1.738
  365   2HB   LYS  29           HB2      LYS  50 -19.493  -2.939  -0.163
  366   1HG   LYS  29           HG2      LYS  50 -20.378  -5.018  -1.006
  367   2HG   LYS  29           HG1      LYS  50 -20.171  -4.526  -2.678
  368   1HD   LYS  29           HD2      LYS  50 -17.838  -4.771  -0.728
  369   2HD   LYS  29           HD1      LYS  50 -18.366  -6.100  -1.740
  370   1HE   LYS  29           HE2      LYS  50 -17.414  -5.216  -3.613
  371   2HE   LYS  29           HE1      LYS  50 -17.993  -3.594  -3.291
  372   1HZ   LYS  29           HZ1      LYS  50 -16.036  -4.238  -1.396
  373   2HZ   LYS  29           HZ3      LYS  50 -15.437  -4.620  -2.938
  374   3HZ   LYS  29           HZ2      LYS  50 -16.000  -3.052  -2.609
  375    H    THR  30           HN       THR  51 -22.771  -0.550  -1.958
  376    HA   THR  30           HA       THR  51 -21.499   1.597  -0.301
  377    HB   THR  30           HB       THR  51 -22.414   3.221  -2.069
  378    HG1  THR  30           HG1      THR  51 -22.572   1.182  -3.901
  379   1HG2  THR  30          HG21      THR  51 -20.511   1.054  -3.125
  380   2HG2  THR  30          HG23      THR  51 -20.699   2.657  -3.818
  381   3HG2  THR  30          HG22      THR  51 -20.026   2.467  -2.206
   
 Raw file had 381 H/Q atoms
  Start of MODEL    7
    1   1H    GLY   1           HT1      GLY   1   0.031  12.147  -4.352
    2   2H    GLY   1           HT3      GLY   1   1.716  12.279  -4.207
    3   3H    GLY   1           HT2      GLY   1   0.858  13.390  -5.162
    4   1HA   GLY   1           HA1      GLY   1   1.123  12.126  -6.930
    5   2HA   GLY   1           HA2      GLY   1   2.013  10.971  -5.937
    6    H    ILE   2           HN       ILE   2   0.879   9.680  -7.671
    7    HA   ILE   2           HA       ILE   2  -1.534   8.902  -8.264
    8    HB   ILE   2           HB       ILE   2  -0.911   6.509  -8.126
    9   1HG1  ILE   2          HG12      ILE   2   0.150   6.203  -5.998
   10   2HG1  ILE   2          HG11      ILE   2   1.244   5.773  -7.281
   11   1HG2  ILE   2          HG22      ILE   2  -0.026   7.857  -9.959
   12   2HG2  ILE   2          HG21      ILE   2   1.363   8.331  -8.998
   13   3HG2  ILE   2          HG23      ILE   2   1.163   6.659  -9.487
   14   1HD1  ILE   2           HD2      ILE   2   2.506   7.864  -7.015
   15   2HD1  ILE   2           HD1      ILE   2   1.442   8.359  -5.708
   16   3HD1  ILE   2           HD3      ILE   2   2.447   6.945  -5.524
   17    H    VAL   3           HN       VAL   3  -0.327   8.046  -5.118
   18    HA   VAL   3           HA       VAL   3  -1.988   6.538  -3.783
   19    HB   VAL   3           HB       VAL   3  -0.124   8.408  -3.111
   20   1HG1  VAL   3          HG11      VAL   3  -2.604   9.497  -1.765
   21   2HG1  VAL   3          HG13      VAL   3  -0.949   9.928  -1.379
   22   3HG1  VAL   3          HG12      VAL   3  -1.600  10.311  -2.959
   23   1HG2  VAL   3          HG22      VAL   3  -1.925   6.920  -1.210
   24   2HG2  VAL   3          HG21      VAL   3  -0.435   6.333  -1.931
   25   3HG2  VAL   3          HG23      VAL   3  -0.382   7.633  -0.756
   26    H    GLU   4           HN       GLU   4  -2.886   9.798  -4.562
   27    HA   GLU   4           HA       GLU   4  -5.160  10.598  -3.418
   28   1HB   GLU   4           HB1      GLU   4  -5.357  10.259  -6.430
   29   2HB   GLU   4           HB2      GLU   4  -5.991  11.551  -5.444
   30   1HG   GLU   4           HG2      GLU   4  -3.086  11.057  -6.132
   31   2HG   GLU   4           HG1      GLU   4  -4.098  12.316  -6.777
   32    H    GLN   5           HN       GLN   5  -5.241   8.161  -5.868
   33    HA   GLN   5           HA       GLN   5  -7.884   7.461  -6.059
   34   1HB   GLN   5           HB1      GLN   5  -5.512   6.474  -7.043
   35   2HB   GLN   5           HB2      GLN   5  -5.927   5.161  -5.969
   36   1HG   GLN   5           HG2      GLN   5  -7.854   6.262  -8.056
   37   2HG   GLN   5           HG1      GLN   5  -6.764   4.929  -8.366
   38   1HE2  GLN   5          HE21      GLN   5  -9.101   2.660  -7.137
   39   2HE2  GLN   5          HE22      GLN   5  -7.896   3.021  -8.282
   40    H    CYS   6           HN       CYS   6  -5.705   5.566  -3.999
   41    HA   CYS   6           HA       CYS   6  -7.473   4.064  -2.549
   42   1HB   CYS   6           HB1      CYS   6  -5.032   5.435  -1.414
   43   2HB   CYS   6           HB2      CYS   6  -5.810   4.021  -0.753
   44    H    CYS   7           HN       CYS   7  -6.771   7.438  -1.884
   45    HA   CYS   7           HA       CYS   7  -8.347   7.431   0.599
   46   1HB   CYS   7           HB1      CYS   7  -6.481   8.919   0.531
   47   2HB   CYS   7           HB2      CYS   7  -7.016   9.645  -0.962
   48    H    THR   8           HN       THR   8  -8.713   8.989  -2.539
   49    HA   THR   8           HA       THR   8 -11.258  10.167  -2.034
   50    HB   THR   8           HB       THR   8  -9.477  10.813  -3.848
   51    HG1  THR   8           HG1      THR   8 -12.189  10.829  -3.766
   52   1HG2  THR   8          HG22      THR   8  -9.391   8.540  -4.993
   53   2HG2  THR   8          HG21      THR   8 -11.057   8.770  -5.498
   54   3HG2  THR   8          HG23      THR   8  -9.810   9.857  -6.070
   55    H    SER   9           HN       SER   9 -10.385   7.220  -3.752
   56    HA   SER   9           HA       SER   9 -13.146   6.152  -3.487
   57   1HB   SER   9           HB1      SER   9 -12.593   6.924  -5.878
   58   2HB   SER   9           HB2      SER   9 -11.274   5.752  -5.903
   59    HG   SER   9           HG1      SER   9 -13.510   4.605  -4.951
   60    H    ILE  10           HN       ILE  10 -12.269   3.654  -4.609
   61    HA   ILE  10           HA       ILE  10 -10.551   2.623  -2.376
   62    HB   ILE  10           HB       ILE  10 -12.343   0.995  -4.230
   63   1HG1  ILE  10          HG12      ILE  10 -13.817   2.625  -3.116
   64   2HG1  ILE  10          HG11      ILE  10 -14.102   1.027  -2.475
   65   1HG2  ILE  10          HG22      ILE  10 -10.600  -0.238  -2.999
   66   2HG2  ILE  10          HG21      ILE  10 -11.170   0.393  -1.469
   67   3HG2  ILE  10          HG23      ILE  10 -12.183  -0.690  -2.417
   68   1HD1  ILE  10           HD1      ILE  10 -12.399   3.161  -1.127
   69   2HD1  ILE  10           HD3      ILE  10 -14.032   2.711  -0.669
   70   3HD1  ILE  10           HD2      ILE  10 -12.727   1.558  -0.494
   71    H    CYS  11           HN       CYS  11  -8.687   1.522  -2.907
   72    HA   CYS  11           HA       CYS  11  -7.971   1.353  -5.817
   73   1HB   CYS  11           HB1      CYS  11  -5.701   1.875  -5.248
   74   2HB   CYS  11           HB2      CYS  11  -6.723   3.079  -4.524
   75    H    SER  12           HN       SER  12  -5.571  -0.017  -5.480
   76    HA   SER  12           HA       SER  12  -6.523  -2.735  -4.751
   77   1HB   SER  12           HB1      SER  12  -4.821  -3.543  -6.377
   78   2HB   SER  12           HB2      SER  12  -5.766  -2.280  -7.182
   79    HG   SER  12           HG1      SER  12  -4.016  -1.153  -7.270
   80    H    LEU  13           HN       LEU  13  -4.475  -4.087  -4.390
   81    HA   LEU  13           HA       LEU  13  -2.936  -2.868  -2.116
   82   1HB   LEU  13           HB1      LEU  13  -3.540  -5.811  -2.754
   83   2HB   LEU  13           HB2      LEU  13  -2.609  -5.265  -1.382
   84    HG   LEU  13           HG       LEU  13  -4.779  -5.827  -0.574
   85   1HD1  LEU  13          HD12      LEU  13  -3.836  -3.832   0.470
   86   2HD1  LEU  13          HD11      LEU  13  -4.602  -2.800  -0.730
   87   3HD1  LEU  13          HD13      LEU  13  -5.585  -3.705   0.405
   88   1HD2  LEU  13          HD21      LEU  13  -6.092  -5.737  -2.653
   89   2HD2  LEU  13          HD23      LEU  13  -6.882  -4.848  -1.366
   90   3HD2  LEU  13          HD22      LEU  13  -6.056  -3.983  -2.635
   91    OH   TYR  14           OH       TYR  14   3.933  -5.030  -9.910
   92    H    TYR  14           HN       TYR  14  -2.463  -2.802  -5.118
   93    HA   TYR  14           HA       TYR  14   0.189  -4.136  -5.167
   94   1HB   TYR  14           HB1      TYR  14  -1.487  -4.725  -7.001
   95   2HB   TYR  14           HB2      TYR  14  -1.409  -3.051  -7.539
   96    HD1  TYR  14           HD1      TYR  14   0.949  -2.113  -8.162
   97    HD2  TYR  14           HD2      TYR  14   0.198  -6.274  -7.666
   98    HE1  TYR  14           HE1      TYR  14   3.003  -2.630  -9.380
   99    HE2  TYR  14           HE2      TYR  14   2.252  -6.789  -8.889
  100    HH   TYR  14           HH       TYR  14   4.028  -5.984  -9.962
  101    H    GLN  15           HN       GLN  15  -1.516  -1.187  -6.110
  102    HA   GLN  15           HA       GLN  15   0.420   0.539  -6.898
  103   1HB   GLN  15           HB1      GLN  15  -2.049   0.809  -5.243
  104   2HB   GLN  15           HB2      GLN  15  -1.002   2.192  -5.153
  105   1HG   GLN  15           HG2      GLN  15  -2.543   2.568  -6.986
  106   2HG   GLN  15           HG1      GLN  15  -0.974   2.251  -7.699
  107   1HE2  GLN  15          HE21      GLN  15  -4.027   0.046  -8.884
  108   2HE2  GLN  15          HE22      GLN  15  -4.145   1.560  -8.127
  109    H    LEU  16           HN       LEU  16  -0.310   0.685  -3.436
  110    HA   LEU  16           HA       LEU  16   2.181   1.913  -2.770
  111   1HB   LEU  16           HB1      LEU  16  -0.132   0.808  -1.252
  112   2HB   LEU  16           HB2      LEU  16   1.327   0.998  -0.327
  113    HG   LEU  16           HG       LEU  16   1.489   3.382  -1.380
  114   1HD1  LEU  16          HD12      LEU  16  -0.243   2.993  -3.177
  115   2HD1  LEU  16          HD11      LEU  16  -1.446   2.776  -1.925
  116   3HD1  LEU  16          HD13      LEU  16  -0.671   4.332  -2.137
  117   1HD2  LEU  16          HD21      LEU  16   0.913   3.063   0.959
  118   2HD2  LEU  16          HD23      LEU  16   0.001   4.377   0.237
  119   3HD2  LEU  16          HD22      LEU  16  -0.764   2.819   0.504
  120    H    GLU  17           HN       GLU  17   2.402  -0.906  -3.997
  121    HA   GLU  17           HA       GLU  17   4.106  -2.185  -1.929
  122   1HB   GLU  17           HB1      GLU  17   3.436  -3.113  -4.774
  123   2HB   GLU  17           HB2      GLU  17   4.304  -4.042  -3.576
  124   1HG   GLU  17           HG2      GLU  17   2.211  -3.944  -2.115
  125   2HG   GLU  17           HG1      GLU  17   1.356  -3.284  -3.479
  126    H    ASN  18           HN       ASN  18   4.039  -0.135  -4.634
  127    HA   ASN  18           HA       ASN  18   6.947  -0.325  -5.176
  128   1HB   ASN  18           HB1      ASN  18   5.341  -0.551  -7.099
  129   2HB   ASN  18           HB2      ASN  18   4.677   1.029  -6.707
  130   1HD2  ASN  18          HD21      ASN  18   7.075   2.680  -8.631
  131   2HD2  ASN  18          HD22      ASN  18   5.518   2.646  -7.957
  132    OH   TYR  19           OH       TYR  19   1.532   3.430  -7.827
  133    H    TYR  19           HN       TYR  19   4.731   1.372  -3.306
  134    HA   TYR  19           HA       TYR  19   6.365   3.893  -3.376
  135   1HB   TYR  19           HB1      TYR  19   3.525   3.697  -2.098
  136   2HB   TYR  19           HB2      TYR  19   4.412   5.120  -2.661
  137    HD1  TYR  19           HD1      TYR  19   5.324   4.081  -5.441
  138    HD2  TYR  19           HD2      TYR  19   1.645   3.797  -3.343
  139    HE1  TYR  19           HE1      TYR  19   4.125   3.785  -7.555
  140    HE2  TYR  19           HE2      TYR  19   0.465   3.464  -5.377
  141    HH   TYR  19           HH       TYR  19   2.168   3.492  -8.544
  142    H    CYS  20           HN       CYS  20   7.503   1.824  -2.201
  143    HA   CYS  20           HA       CYS  20   7.121   2.101   0.750
  144   1HB   CYS  20           HB1      CYS  20   8.397  -0.047  -0.941
  145   2HB   CYS  20           HB2      CYS  20   8.732   0.063   0.756
  146    H    ASN  21           HN       ASN  21   9.823   1.230  -1.225
  147    HA   ASN  21           HA       ASN  21  11.506   3.398  -0.025
  148   1HB   ASN  21           HB1      ASN  21  11.898   1.043   0.922
  149   2HB   ASN  21           HB2      ASN  21  12.475   0.574  -0.667
  150   1HD2  ASN  21          HD21      ASN  21  14.987   2.396   1.840
  151   2HD2  ASN  21          HD22      ASN  21  13.493   1.739   2.306
  152   1H    PHE   1           HT1      PHE  22 -12.162  -5.369   5.056
  153   2H    PHE   1           HT3      PHE  22 -10.728  -4.829   5.788
  154   3H    PHE   1           HT2      PHE  22 -12.167  -3.946   5.985
  155    HA   PHE   1           HA       PHE  22 -11.752  -2.753   4.208
  156   1HB   PHE   1           HB1      PHE  22  -9.311  -3.445   4.942
  157   2HB   PHE   1           HB2      PHE  22  -9.320  -4.508   3.553
  158    HD1  PHE   1           HD1      PHE  22 -10.332  -3.159   1.284
  159    HD2  PHE   1           HD2      PHE  22  -8.329  -1.391   4.613
  160    HE1  PHE   1           HE1      PHE  22  -9.718  -1.242  -0.097
  161    HE2  PHE   1           HE2      PHE  22  -7.721   0.522   3.217
  162    HZ   PHE   1           HZ       PHE  22  -8.407   0.605   0.860
  163    H    VAL   2           HN       VAL  23 -13.667  -3.679   3.389
  164    HA   VAL   2           HA       VAL  23 -13.318  -5.580   1.119
  165    HB   VAL   2           HB       VAL  23 -15.760  -4.801   2.660
  166   1HG1  VAL   2          HG11      VAL  23 -15.339  -7.241   0.849
  167   2HG1  VAL   2          HG13      VAL  23 -16.783  -7.000   1.815
  168   3HG1  VAL   2          HG12      VAL  23 -16.421  -5.900   0.510
  169   1HG2  VAL   2          HG22      VAL  23 -14.014  -7.269   3.116
  170   2HG2  VAL   2          HG21      VAL  23 -14.236  -5.933   4.238
  171   3HG2  VAL   2          HG23      VAL  23 -15.567  -7.023   3.901
  172    H    ASN   3           HN       ASN  24 -13.101  -2.812   1.514
  173    HA   ASN   3           HA       ASN  24 -13.049  -1.379  -0.655
  174   1HB   ASN   3           HB1      ASN  24 -15.303  -0.423  -1.276
  175   2HB   ASN   3           HB2      ASN  24 -15.249  -2.139  -1.555
  176   1HD2  ASN   3          HD21      ASN  24 -17.221  -1.884   1.909
  177   2HD2  ASN   3          HD22      ASN  24 -15.529  -1.852   1.793
  178    H    GLN   4           HN       GLN  25 -11.891  -0.641   1.311
  179    HA   GLN   4           HA       GLN  25 -13.316   1.575   2.661
  180   1HB   GLN   4           HB1      GLN  25 -12.616  -0.410   4.106
  181   2HB   GLN   4           HB2      GLN  25 -10.958  -0.112   3.647
  182   1HG   GLN   4           HG2      GLN  25 -11.500   0.817   5.891
  183   2HG   GLN   4           HG1      GLN  25 -10.980   2.083   4.804
  184   1HE2  GLN   4          HE21      GLN  25 -13.997   3.846   5.215
  185   2HE2  GLN   4          HE22      GLN  25 -12.355   3.872   4.783
  186    H    HIS   5           HN       HIS  26 -11.683   3.177   3.454
  187    HA   HIS   5           HA       HIS  26  -9.906   3.983   1.219
  188   1HB   HIS   5           HB1      HIS  26 -11.245   5.677   3.378
  189   2HB   HIS   5           HB2      HIS  26 -10.211   6.295   2.097
  190    HD1  HIS   5           HD1      HIS  26 -11.172   5.430  -0.362
  191    HD2  HIS   5           HD2      HIS  26 -13.904   5.802   2.645
  192    HE1  HIS   5           HE1      HIS  26 -13.395   5.599  -1.446
  193    H    LEU   6           HN       LEU  27  -8.205   5.270   1.795
  194    HA   LEU   6           HA       LEU  27  -6.768   4.616   4.329
  195   1HB   LEU   6           HB1      LEU  27  -5.626   4.511   1.493
  196   2HB   LEU   6           HB2      LEU  27  -4.649   4.390   2.938
  197    HG   LEU   6           HG       LEU  27  -6.908   2.442   2.271
  198   1HD1  LEU   6          HD11      LEU  27  -3.883   2.146   1.879
  199   2HD1  LEU   6          HD13      LEU  27  -5.078   0.886   1.616
  200   3HD1  LEU   6          HD12      LEU  27  -5.061   2.309   0.590
  201   1HD2  LEU   6          HD22      LEU  27  -4.607   2.317   4.290
  202   2HD2  LEU   6          HD21      LEU  27  -6.290   2.586   4.708
  203   3HD2  LEU   6          HD23      LEU  27  -5.788   1.050   4.037
  204    H    CYS   7           HN       CYS  28  -7.593   6.840   4.857
  205    HA   CYS   7           HA       CYS  28  -5.648   8.872   3.818
  206   1HB   CYS   7           HB1      CYS  28  -8.341   8.849   3.167
  207   2HB   CYS   7           HB2      CYS  28  -8.302   9.963   4.505
  208    H    GLY   8           HN       GLY  29  -4.377   9.327   5.458
  209   1HA   GLY   8           HA1      GLY  29  -4.198  10.806   7.457
  210   2HA   GLY   8           HA2      GLY  29  -5.573   9.961   8.146
  211    H    SER   9           HN       SER  30  -2.375   9.307   6.857
  212    HA   SER   9           HA       SER  30  -0.476   8.308   7.862
  213   1HB   SER   9           HB1      SER  30  -1.541   8.426  10.258
  214   2HB   SER   9           HB2      SER  30  -2.367   6.898   9.897
  215    HG   SER   9           HG1      SER  30   0.162   7.275  10.590
  216    H    HIS  10           HN       HIS  31  -3.488   6.728   7.591
  217    HA   HIS  10           HA       HIS  31  -3.172   4.111   7.123
  218   1HB   HIS  10           HB1      HIS  31  -4.623   6.048   5.296
  219   2HB   HIS  10           HB2      HIS  31  -4.913   4.314   5.343
  220    HD1  HIS  10           HD1      HIS  31  -7.278   5.829   6.067
  221    HD2  HIS  10           HD2      HIS  31  -4.496   5.038   8.950
  222    HE1  HIS  10           HE1      HIS  31  -8.440   6.032   8.234
  223    H    LEU  11           HN       LEU  32  -2.268   6.589   4.804
  224    HA   LEU  11           HA       LEU  32  -1.384   4.887   2.699
  225   1HB   LEU  11           HB1      LEU  32  -0.337   7.669   3.420
  226   2HB   LEU  11           HB2      LEU  32  -0.034   6.852   1.914
  227    HG   LEU  11           HG       LEU  32  -1.720   8.356   1.369
  228   1HD1  LEU  11          HD12      LEU  32  -2.281   6.076   0.590
  229   2HD1  LEU  11          HD11      LEU  32  -3.237   5.808   2.025
  230   3HD1  LEU  11          HD13      LEU  32  -3.730   7.026   0.865
  231   1HD2  LEU  11          HD21      LEU  32  -2.292   9.113   3.640
  232   2HD2  LEU  11          HD23      LEU  32  -3.729   8.833   2.680
  233   3HD2  LEU  11          HD22      LEU  32  -3.265   7.677   3.908
  234    H    VAL  12           HN       VAL  33   0.632   6.681   5.022
  235    HA   VAL  12           HA       VAL  33   3.125   5.536   4.417
  236    HB   VAL  12           HB       VAL  33   2.268   5.983   7.337
  237   1HG1  VAL  12          HG12      VAL  33   4.559   5.120   6.959
  238   2HG1  VAL  12          HG11      VAL  33   4.916   6.479   5.911
  239   3HG1  VAL  12          HG13      VAL  33   4.608   6.742   7.618
  240   1HG2  VAL  12          HG22      VAL  33   3.033   8.197   5.419
  241   2HG2  VAL  12          HG21      VAL  33   1.443   7.955   6.134
  242   3HG2  VAL  12          HG23      VAL  33   2.808   8.360   7.156
  243    H    GLU  13           HN       GLU  34   0.713   4.389   6.670
  244    HA   GLU  13           HA       GLU  34   2.170   2.054   7.439
  245   1HB   GLU  13           HB1      GLU  34  -0.882   2.265   7.323
  246   2HB   GLU  13           HB2      GLU  34   0.115   1.199   8.321
  247   1HG   GLU  13           HG2      GLU  34   0.921   3.046   9.655
  248   2HG   GLU  13           HG1      GLU  34   0.278   4.245   8.553
  249    H    ALA  14           HN       ALA  35  -0.662   2.099   5.247
  250    HA   ALA  14           HA       ALA  35  -0.627  -0.402   4.255
  251   1HB   ALA  14           HB1      ALA  35  -0.867   2.175   2.626
  252   2HB   ALA  14           HB3      ALA  35  -1.432   0.608   2.068
  253   3HB   ALA  14           HB2      ALA  35  -2.178   1.368   3.463
  254    H    LEU  15           HN       LEU  36   1.449   2.102   2.802
  255    HA   LEU  15           HA       LEU  36   2.757   0.163   1.122
  256   1HB   LEU  15           HB1      LEU  36   4.506   2.018   0.879
  257   2HB   LEU  15           HB2      LEU  36   2.902   2.528   0.454
  258    HG   LEU  15           HG       LEU  36   3.066   3.237   3.115
  259   1HD1  LEU  15          HD12      LEU  36   5.487   2.494   3.222
  260   2HD1  LEU  15          HD11      LEU  36   5.851   3.610   1.928
  261   3HD1  LEU  15          HD13      LEU  36   5.305   4.216   3.478
  262   1HD2  LEU  15          HD22      LEU  36   4.026   4.916   0.761
  263   2HD2  LEU  15          HD21      LEU  36   2.358   4.746   1.277
  264   3HD2  LEU  15          HD23      LEU  36   3.521   5.542   2.317
  265    OH   TYR  16           OH       TYR  37   2.400   1.458  11.068
  266    H    TYR  16           HN       TYR  37   3.653   1.555   4.303
  267    HA   TYR  16           HA       TYR  37   6.040  -0.061   4.473
  268   1HB   TYR  16           HB1      TYR  37   6.416   1.110   6.445
  269   2HB   TYR  16           HB2      TYR  37   5.216   2.159   5.746
  270    HD1  TYR  16           HD2      TYR  37   3.870  -0.899   7.607
  271    HD2  TYR  16           HD1      TYR  37   4.930   3.240   7.765
  272    HE1  TYR  16           HE2      TYR  37   2.744  -0.766   9.558
  273    HE2  TYR  16           HE1      TYR  37   3.687   3.434   9.837
  274    HH   TYR  16           HH       TYR  37   2.026   0.596  11.264
  275    H    LEU  17           HN       LEU  38   2.782  -0.881   4.597
  276    HA   LEU  17           HA       LEU  38   2.958  -2.999   6.618
  277   1HB   LEU  17           HB1      LEU  38   0.872  -1.494   5.802
  278   2HB   LEU  17           HB2      LEU  38   0.742  -2.698   4.539
  279    HG   LEU  17           HG       LEU  38   0.711  -3.359   7.508
  280   1HD1  LEU  17          HD12      LEU  38  -1.253  -1.979   6.834
  281   2HD1  LEU  17          HD11      LEU  38  -1.594  -3.094   5.521
  282   3HD1  LEU  17          HD13      LEU  38  -1.743  -3.624   7.190
  283   1HD2  LEU  17          HD22      LEU  38  -0.029  -5.003   5.043
  284   2HD2  LEU  17          HD21      LEU  38   1.408  -5.240   6.026
  285   3HD2  LEU  17          HD23      LEU  38  -0.178  -5.528   6.715
  286    H    VAL  18           HN       VAL  39   2.593  -2.599   3.116
  287    HA   VAL  18           HA       VAL  39   2.887  -5.280   2.287
  288    HB   VAL  18           HB       VAL  39   4.021  -2.757   0.938
  289   1HG1  VAL  18          HG12      VAL  39   5.059  -4.873   0.072
  290   2HG1  VAL  18          HG11      VAL  39   3.462  -5.534  -0.241
  291   3HG1  VAL  18          HG13      VAL  39   4.042  -4.145  -1.142
  292   1HG2  VAL  18          HG21      VAL  39   1.551  -2.707   1.300
  293   2HG2  VAL  18          HG23      VAL  39   1.926  -2.825  -0.404
  294   3HG2  VAL  18          HG22      VAL  39   1.393  -4.250   0.479
  295    H    CYS  19           HN       CYS  40   5.167  -2.799   2.977
  296    HA   CYS  19           HA       CYS  40   7.460  -4.697   3.107
  297   1HB   CYS  19           HB1      CYS  40   7.410  -1.668   3.053
  298   2HB   CYS  19           HB2      CYS  40   8.808  -2.704   2.949
  299    H    GLY  20           HN       GLY  41   5.586  -4.749   5.060
  300   1HA   GLY  20           HA1      GLY  41   6.982  -3.778   7.542
  301   2HA   GLY  20           HA2      GLY  41   5.213  -3.822   7.460
  302    H    GLU  21           HN       GLU  42   7.590  -5.916   6.172
  303    HA   GLU  21           HA       GLU  42   7.449  -8.311   5.970
  304   1HB   GLU  21           HB1      GLU  42   8.880  -7.403   8.483
  305   2HB   GLU  21           HB2      GLU  42   9.011  -9.041   7.879
  306   1HG   GLU  21           HG2      GLU  42  10.893  -7.659   7.052
  307   2HG   GLU  21           HG1      GLU  42   9.915  -8.241   5.725
  308    NH1  ARG  22           NH2      ARG  43  -0.547  -8.117   5.578
  309    NH2  ARG  22           NH1      ARG  43  -0.655 -10.161   6.581
  310    H    ARG  22           HN       ARG  43   5.534  -9.254   6.071
  311    HA   ARG  22           HA       ARG  43   4.538 -10.244   8.709
  312   1HB   ARG  22           HB1      ARG  43   3.011  -9.554   6.181
  313   2HB   ARG  22           HB2      ARG  43   2.288 -10.337   7.576
  314   1HG   ARG  22           HG2      ARG  43   2.781  -8.405   9.002
  315   2HG   ARG  22           HG1      ARG  43   3.735  -7.662   7.732
  316   1HD   ARG  22           HD2      ARG  43   1.465  -6.660   7.882
  317   2HD   ARG  22           HD1      ARG  43   1.763  -7.407   6.314
  318    HE   ARG  22           HE       ARG  43   0.171  -8.718   8.496
  319   1HH1  ARG  22          HH22      ARG  43  -0.232  -7.169   5.595
  320   2HH1  ARG  22          HH21      ARG  43  -1.080  -8.453   4.802
  321   1HH2  ARG  22          HH12      ARG  43  -0.425 -10.753   7.354
  322   2HH2  ARG  22          HH11      ARG  43  -1.189 -10.522   5.816
  323    H    GLY  23           HN       GLY  44   4.366 -11.042   5.336
  324   1HA   GLY  23           HA1      GLY  44   4.609 -13.964   5.986
  325   2HA   GLY  23           HA2      GLY  44   3.665 -13.352   4.643
  326    H    GLY  24           HN       GLY  45   5.091 -11.786   3.340
  327   1HA   GLY  24           HA1      GLY  45   7.584 -13.253   2.522
  328   2HA   GLY  24           HA2      GLY  45   6.499 -12.467   1.384
  329    H    PHE  25           HN       PHE  46   8.797 -11.811   0.916
  330    HA   PHE  25           HA       PHE  46   9.438  -9.175   2.193
  331   1HB   PHE  25           HB1      PHE  46  11.408 -10.912   0.641
  332   2HB   PHE  25           HB2      PHE  46  11.766  -9.583   1.731
  333    HD1  PHE  25           HD1      PHE  46  11.032  -9.903   4.236
  334    HD2  PHE  25           HD2      PHE  46  11.474 -13.115   1.469
  335    HE1  PHE  25           HE1      PHE  46  11.234 -11.487   6.100
  336    HE2  PHE  25           HE2      PHE  46  11.675 -14.694   3.333
  337    HZ   PHE  25           HZ       PHE  46  11.555 -13.884   5.652
  338    OH   TYR  26           OH       TYR  47  15.098  -3.765   0.038
  339    H    TYR  26           HN       TYR  47  11.047  -8.144   0.279
  340    HA   TYR  26           HA       TYR  47   9.316  -8.059  -2.178
  341   1HB   TYR  26           HB1      TYR  47   9.798  -5.700  -2.357
  342   2HB   TYR  26           HB2      TYR  47   9.406  -5.962  -0.674
  343    HD1  TYR  26           HD1      TYR  47  11.664  -6.595   0.839
  344    HD2  TYR  26           HD2      TYR  47  11.603  -4.332  -2.776
  345    HE1  TYR  26           HE1      TYR  47  13.785  -5.556   1.446
  346    HE2  TYR  26           HE2      TYR  47  13.726  -3.292  -2.156
  347    HH   TYR  26           HH       TYR  47  15.278  -3.052  -0.581
  348    H    THR  27           HN       THR  48  11.212  -9.946  -1.717
  349    HA   THR  27           HA       THR  48  13.389  -9.284  -3.659
  350    HB   THR  27           HB       THR  48  14.815 -10.945  -2.346
  351    HG1  THR  27           HG1      THR  48  13.235 -11.011  -0.193
  352   1HG2  THR  27          HG21      THR  48  13.473  -8.875  -0.504
  353   2HG2  THR  27          HG23      THR  48  15.052  -9.607  -0.275
  354   3HG2  THR  27          HG22      THR  48  14.792  -8.478  -1.595
  355    HA   PRO  28           HA       PRO  49  11.983 -12.251  -6.244
  356   1HB   PRO  28           HB1      PRO  49   9.409 -12.199  -6.954
  357   2HB   PRO  28           HB2      PRO  49   9.927 -13.244  -5.629
  358   1HG   PRO  28           HG2      PRO  49   8.542 -10.543  -5.477
  359   2HG   PRO  28           HG1      PRO  49   8.283 -11.967  -4.473
  360   1HD   PRO  28           HD1      PRO  49   9.970  -9.751  -3.836
  361   2HD   PRO  28           HD2      PRO  49   9.956 -11.301  -2.961
  362    H    LYS  29           HN       LYS  50  11.082  -9.148  -5.255
  363    HA   LYS  29           HA       LYS  50  11.399  -8.005  -8.006
  364   1HB   LYS  29           HB1      LYS  50   9.989  -6.805  -5.580
  365   2HB   LYS  29           HB2      LYS  50  10.135  -6.028  -7.142
  366   1HG   LYS  29           HG2      LYS  50   8.890  -8.063  -8.128
  367   2HG   LYS  29           HG1      LYS  50   8.587  -8.563  -6.475
  368   1HD   LYS  29           HD2      LYS  50   6.641  -7.319  -7.049
  369   2HD   LYS  29           HD1      LYS  50   7.592  -6.193  -6.104
  370   1HE   LYS  29           HE2      LYS  50   8.494  -5.235  -8.290
  371   2HE   LYS  29           HE1      LYS  50   7.382  -6.286  -9.152
  372   1HZ   LYS  29           HZ1      LYS  50   6.015  -4.911  -7.113
  373   2HZ   LYS  29           HZ3      LYS  50   6.872  -3.798  -8.061
  374   3HZ   LYS  29           HZ2      LYS  50   5.744  -4.850  -8.777
  375    H    THR  30           HN       THR  51  11.977  -5.489  -7.469
  376    HA   THR  30           HA       THR  51  14.558  -5.559  -5.956
  377    HB   THR  30           HB       THR  51  14.867  -5.272  -8.423
  378    HG1  THR  30           HG1      THR  51  15.385  -2.733  -7.762
  379   1HG2  THR  30          HG22      THR  51  12.614  -4.111  -8.887
  380   2HG2  THR  30          HG21      THR  51  13.224  -2.688  -8.055
  381   3HG2  THR  30          HG23      THR  51  13.988  -3.233  -9.539
   
 Raw file had 381 H/Q atoms
  Start of MODEL    8
    1   1H    GLY   1           HT1      GLY   1  -3.218  -2.818  17.132
    2   2H    GLY   1           HT3      GLY   1  -2.109  -4.036  16.719
    3   3H    GLY   1           HT2      GLY   1  -1.553  -2.554  17.329
    4   1HA   GLY   1           HA1      GLY   1  -1.393  -1.736  15.310
    5   2HA   GLY   1           HA2      GLY   1  -1.966  -3.277  14.671
    6    H    ILE   2           HN       ILE   2  -2.612  -1.154  13.283
    7    HA   ILE   2           HA       ILE   2  -5.418  -0.419  13.969
    8    HB   ILE   2           HB       ILE   2  -4.725   1.284  11.881
    9   1HG1  ILE   2          HG12      ILE   2  -2.550   2.353  12.467
   10   2HG1  ILE   2          HG11      ILE   2  -2.199   1.061  13.584
   11   1HG2  ILE   2          HG22      ILE   2  -5.859   1.887  13.962
   12   2HG2  ILE   2          HG21      ILE   2  -4.357   1.728  14.861
   13   3HG2  ILE   2          HG23      ILE   2  -4.535   3.000  13.660
   14   1HD1  ILE   2           HD1      ILE   2  -2.502   0.707  10.573
   15   2HD1  ILE   2           HD3      ILE   2  -0.984   0.824  11.440
   16   3HD1  ILE   2           HD2      ILE   2  -2.019  -0.548  11.707
   17    H    VAL   3           HN       VAL   3  -3.497  -1.105  11.127
   18    HA   VAL   3           HA       VAL   3  -4.985  -1.343   8.996
   19    HB   VAL   3           HB       VAL   3  -2.593  -2.394   9.841
   20   1HG1  VAL   3          HG12      VAL   3  -3.530  -4.567  10.556
   21   2HG1  VAL   3          HG11      VAL   3  -4.180  -4.820   8.940
   22   3HG1  VAL   3          HG13      VAL   3  -2.445  -4.743   9.189
   23   1HG2  VAL   3          HG21      VAL   3  -3.083  -1.419   7.642
   24   2HG2  VAL   3          HG23      VAL   3  -2.239  -2.943   7.468
   25   3HG2  VAL   3          HG22      VAL   3  -3.978  -2.856   7.182
   26    H    GLU   4           HN       GLU   4  -5.246  -3.735  11.511
   27    HA   GLU   4           HA       GLU   4  -6.742  -5.841  10.913
   28   1HB   GLU   4           HB1      GLU   4  -6.320  -5.057  13.196
   29   2HB   GLU   4           HB2      GLU   4  -7.572  -3.841  13.033
   30   1HG   GLU   4           HG2      GLU   4  -9.267  -5.633  12.681
   31   2HG   GLU   4           HG1      GLU   4  -8.021  -6.860  12.837
   32    H    GLN   5           HN       GLN   5  -8.419  -2.797  11.199
   33    HA   GLN   5           HA       GLN   5 -11.021  -3.313  10.635
   34   1HB   GLN   5           HB1      GLN   5  -9.777  -1.051  10.938
   35   2HB   GLN   5           HB2      GLN   5  -9.537  -1.056   9.208
   36   1HG   GLN   5           HG2      GLN   5 -12.307  -1.317  10.437
   37   2HG   GLN   5           HG1      GLN   5 -11.578   0.247  10.160
   38   1HE2  GLN   5          HE21      GLN   5 -12.625   0.345   6.839
   39   2HE2  GLN   5          HE22      GLN   5 -12.097   1.180   8.221
   40    H    CYS   6           HN       CYS   6  -8.681  -2.671   8.154
   41    HA   CYS   6           HA       CYS   6  -9.961  -3.028   5.786
   42   1HB   CYS   6           HB1      CYS   6  -7.198  -4.037   6.411
   43   2HB   CYS   6           HB2      CYS   6  -7.791  -3.488   4.861
   44    H    CYS   7           HN       CYS   7  -9.294  -5.628   7.925
   45    HA   CYS   7           HA       CYS   7 -10.127  -7.636   5.843
   46   1HB   CYS   7           HB1      CYS   7  -7.804  -8.000   6.677
   47   2HB   CYS   7           HB2      CYS   7  -8.400  -8.030   8.316
   48    H    THR   8           HN       THR   8 -10.255  -6.496   9.034
   49    HA   THR   8           HA       THR   8 -12.527  -8.138   9.962
   50    HB   THR   8           HB       THR   8 -10.824  -6.008  11.400
   51    HG1  THR   8           HG1      THR   8  -9.308  -7.411  11.112
   52   1HG2  THR   8          HG21      THR   8 -12.204  -8.515  12.458
   53   2HG2  THR   8          HG23      THR   8 -11.322  -7.330  13.411
   54   3HG2  THR   8          HG22      THR   8 -12.843  -6.890  12.652
   55    H    SER   9           HN       SER   9 -13.229  -6.834   7.946
   56    HA   SER   9           HA       SER   9 -15.332  -5.627   7.559
   57   1HB   SER   9           HB1      SER   9 -15.204  -4.164   9.737
   58   2HB   SER   9           HB2      SER   9 -13.885  -3.259   8.977
   59    HG   SER   9           HG1      SER   9 -16.513  -3.049   8.623
   60    H    ILE  10           HN       ILE  10 -14.861  -3.109   6.270
   61    HA   ILE  10           HA       ILE  10 -12.400  -3.699   4.648
   62    HB   ILE  10           HB       ILE  10 -15.198  -2.946   3.736
   63   1HG1  ILE  10          HG12      ILE  10 -13.295  -5.250   3.090
   64   2HG1  ILE  10          HG11      ILE  10 -14.635  -5.359   4.210
   65   1HG2  ILE  10          HG22      ILE  10 -13.553  -1.567   2.430
   66   2HG2  ILE  10          HG21      ILE  10 -12.667  -3.028   2.024
   67   3HG2  ILE  10          HG23      ILE  10 -14.314  -2.792   1.452
   68   1HD1  ILE  10           HD1      ILE  10 -14.904  -4.813   1.230
   69   2HD1  ILE  10           HD3      ILE  10 -15.252  -6.326   2.041
   70   3HD1  ILE  10           HD2      ILE  10 -16.235  -4.906   2.373
   71    H    CYS  11           HN       CYS  11 -11.101  -2.171   4.122
   72    HA   CYS  11           HA       CYS  11 -11.728   0.690   4.750
   73   1HB   CYS  11           HB1      CYS  11  -9.698   0.983   5.861
   74   2HB   CYS  11           HB2      CYS  11 -10.057  -0.654   6.336
   75    H    SER  12           HN       SER  12  -9.240   1.637   3.835
   76    HA   SER  12           HA       SER  12  -9.248   1.029   0.915
   77   1HB   SER  12           HB1      SER  12  -8.720   3.464   0.594
   78   2HB   SER  12           HB2      SER  12 -10.193   3.353   1.575
   79    HG   SER  12           HG1      SER  12  -9.115   4.201   3.140
   80    H    LEU  13           HN       LEU  13  -7.069   1.990   0.072
   81    HA   LEU  13           HA       LEU  13  -4.900   0.937   1.870
   82   1HB   LEU  13           HB1      LEU  13  -3.539   0.709  -0.277
   83   2HB   LEU  13           HB2      LEU  13  -4.879  -0.377  -0.120
   84    HG   LEU  13           HG       LEU  13  -4.463   0.498  -2.422
   85   1HD1  LEU  13          HD12      LEU  13  -6.650  -0.466  -1.809
   86   2HD1  LEU  13          HD11      LEU  13  -7.261   1.118  -1.373
   87   3HD1  LEU  13          HD13      LEU  13  -6.798   0.779  -3.023
   88   1HD2  LEU  13          HD21      LEU  13  -3.880   2.812  -1.935
   89   2HD2  LEU  13          HD23      LEU  13  -5.245   2.766  -3.029
   90   3HD2  LEU  13          HD22      LEU  13  -5.501   3.140  -1.336
   91    OH   TYR  14           OH       TYR  14  -5.043  11.463   2.982
   92    H    TYR  14           HN       TYR  14  -6.141   3.368   2.132
   93    HA   TYR  14           HA       TYR  14  -4.173   5.468   1.401
   94   1HB   TYR  14           HB1      TYR  14  -6.575   5.915   0.800
   95   2HB   TYR  14           HB2      TYR  14  -7.025   5.675   2.481
   96    HD1  TYR  14           HD1      TYR  14  -5.822   7.202   4.253
   97    HD2  TYR  14           HD2      TYR  14  -5.932   8.090   0.088
   98    HE1  TYR  14           HE1      TYR  14  -5.306   9.530   4.741
   99    HE2  TYR  14           HE2      TYR  14  -5.428  10.434   0.586
  100    HH   TYR  14           HH       TYR  14  -5.032  11.960   2.161
  101    H    GLN  15           HN       GLN  15  -6.110   3.934   3.898
  102    HA   GLN  15           HA       GLN  15  -5.228   5.239   6.227
  103   1HB   GLN  15           HB1      GLN  15  -5.505   2.185   6.138
  104   2HB   GLN  15           HB2      GLN  15  -5.984   3.260   7.430
  105   1HG   GLN  15           HG2      GLN  15  -7.390   2.875   4.752
  106   2HG   GLN  15           HG1      GLN  15  -7.979   2.443   6.338
  107   1HE2  GLN  15          HE21      GLN  15  -9.588   5.513   6.753
  108   2HE2  GLN  15          HE22      GLN  15  -9.491   3.860   7.136
  109    H    LEU  16           HN       LEU  16  -3.814   2.195   5.035
  110    HA   LEU  16           HA       LEU  16  -1.279   2.930   6.322
  111   1HB   LEU  16           HB1      LEU  16  -2.514   0.565   6.401
  112   2HB   LEU  16           HB2      LEU  16  -1.905   0.355   4.799
  113    HG   LEU  16           HG       LEU  16  -0.338  -0.794   6.055
  114   1HD1  LEU  16          HD11      LEU  16   1.020   1.881   5.937
  115   2HD1  LEU  16          HD13      LEU  16   1.801   0.397   6.421
  116   3HD1  LEU  16          HD12      LEU  16   1.120   0.554   4.830
  117   1HD2  LEU  16          HD21      LEU  16  -1.096  -0.711   8.233
  118   2HD2  LEU  16          HD23      LEU  16   0.637  -0.508   8.182
  119   3HD2  LEU  16          HD22      LEU  16  -0.370   0.846   8.543
  120    H    GLU  17           HN       GLU  17  -1.815   4.562   4.521
  121    HA   GLU  17           HA       GLU  17   0.070   4.172   2.237
  122   1HB   GLU  17           HB1      GLU  17  -2.403   4.775   1.803
  123   2HB   GLU  17           HB2      GLU  17  -2.045   6.338   2.545
  124   1HG   GLU  17           HG2      GLU  17  -0.357   6.834   0.865
  125   2HG   GLU  17           HG1      GLU  17  -0.671   5.289   0.081
  126    H    ASN  18           HN       ASN  18  -1.117   5.856   4.966
  127    HA   ASN  18           HA       ASN  18   0.965   7.926   5.056
  128   1HB   ASN  18           HB1      ASN  18  -1.382   8.505   5.756
  129   2HB   ASN  18           HB2      ASN  18  -1.319   7.241   6.976
  130   1HD2  ASN  18          HD21      ASN  18   0.246   9.308   9.325
  131   2HD2  ASN  18          HD22      ASN  18  -0.626   7.889   8.996
  132    OH   TYR  19           OH       TYR  19  -4.634   3.959  10.488
  133    H    TYR  19           HN       TYR  19  -0.247   5.273   6.938
  134    HA   TYR  19           HA       TYR  19   1.520   5.038   9.064
  135   1HB   TYR  19           HB1      TYR  19   0.370   2.972   7.271
  136   2HB   TYR  19           HB2      TYR  19   1.098   2.353   8.685
  137    HD1  TYR  19           HD1      TYR  19  -0.222   5.038  10.319
  138    HD2  TYR  19           HD2      TYR  19  -1.738   1.948   7.810
  139    HE1  TYR  19           HE1      TYR  19  -2.488   5.318  11.217
  140    HE2  TYR  19           HE2      TYR  19  -3.832   2.224   8.547
  141    HH   TYR  19           HH       TYR  19  -5.157   3.204  10.210
  142    H    CYS  20           HN       CYS  20   2.195   4.226   5.683
  143    HA   CYS  20           HA       CYS  20   5.083   3.784   6.334
  144   1HB   CYS  20           HB1      CYS  20   5.274   2.277   4.541
  145   2HB   CYS  20           HB2      CYS  20   3.659   1.892   5.058
  146    H    ASN  21           HN       ASN  21   6.448   4.961   5.021
  147    HA   ASN  21           HA       ASN  21   5.233   7.063   3.257
  148   1HB   ASN  21           HB1      ASN  21   6.847   8.720   4.238
  149   2HB   ASN  21           HB2      ASN  21   5.724   8.102   5.435
  150   1HD2  ASN  21          HD21      ASN  21   8.280   6.928   7.503
  151   2HD2  ASN  21          HD22      ASN  21   6.662   7.412   7.323
  152   1H    PHE   1           HT1      PHE  22 -10.709   3.414  -6.424
  153   2H    PHE   1           HT3      PHE  22  -9.619   4.509  -5.727
  154   3H    PHE   1           HT2      PHE  22  -9.223   3.729  -7.180
  155    HA   PHE   1           HA       PHE  22  -8.283   2.079  -6.099
  156   1HB   PHE   1           HB1      PHE  22  -7.904   2.342  -3.675
  157   2HB   PHE   1           HB2      PHE  22  -7.787   3.907  -4.437
  158    HD1  PHE   1           HD2      PHE  22  -9.597   5.596  -4.126
  159    HD2  PHE   1           HD1      PHE  22  -9.700   1.836  -2.129
  160    HE1  PHE   1           HE2      PHE  22 -11.297   6.459  -2.584
  161    HE2  PHE   1           HE1      PHE  22 -11.397   2.702  -0.592
  162    HZ   PHE   1           HZ       PHE  22 -12.204   5.012  -0.814
  163    H    VAL   2           HN       VAL  23  -8.846   0.394  -4.055
  164    HA   VAL   2           HA       VAL  23 -11.600  -0.559  -4.628
  165    HB   VAL   2           HB       VAL  23 -10.482  -2.313  -5.577
  166   1HG1  VAL   2          HG11      VAL  23  -7.983  -1.641  -3.957
  167   2HG1  VAL   2          HG13      VAL  23  -8.079  -2.859  -5.219
  168   3HG1  VAL   2          HG12      VAL  23  -8.300  -1.171  -5.621
  169   1HG2  VAL   2          HG21      VAL  23 -11.268  -3.465  -3.511
  170   2HG2  VAL   2          HG23      VAL  23  -9.770  -4.163  -4.092
  171   3HG2  VAL   2          HG22      VAL  23  -9.748  -3.081  -2.715
  172    H    ASN   3           HN       ASN  24 -12.680  -1.559  -3.232
  173    HA   ASN   3           HA       ASN  24 -12.088  -1.331  -0.307
  174   1HB   ASN   3           HB1      ASN  24 -14.661  -0.645  -1.802
  175   2HB   ASN   3           HB2      ASN  24 -14.603  -0.854  -0.056
  176   1HD2  ASN   3          HD21      ASN  24 -13.396   2.623  -1.621
  177   2HD2  ASN   3          HD22      ASN  24 -14.179   1.429  -2.538
  178    H    GLN   4           HN       GLN  25 -11.352  -3.540  -0.771
  179    HA   GLN   4           HA       GLN  25 -13.559  -5.509  -0.433
  180   1HB   GLN   4           HB1      GLN  25 -12.554  -5.676  -2.720
  181   2HB   GLN   4           HB2      GLN  25 -10.952  -5.748  -2.029
  182   1HG   GLN   4           HG2      GLN  25 -11.753  -7.967  -2.806
  183   2HG   GLN   4           HG1      GLN  25 -11.385  -8.000  -1.107
  184   1HE2  GLN   4          HE21      GLN  25 -14.979  -9.189  -2.298
  185   2HE2  GLN   4          HE22      GLN  25 -13.603  -9.090  -3.287
  186    H    HIS   5           HN       HIS  26 -12.287  -7.606   0.428
  187    HA   HIS   5           HA       HIS  26 -11.107  -6.776   2.981
  188   1HB   HIS   5           HB1      HIS  26 -12.162  -9.361   1.795
  189   2HB   HIS   5           HB2      HIS  26 -10.995  -9.496   3.103
  190    HD1  HIS   5           HD1      HIS  26 -14.278  -9.862   3.178
  191    HD2  HIS   5           HD2      HIS  26 -12.034  -6.938   4.907
  192    HE1  HIS   5           HE1      HIS  26 -15.626  -8.951   5.045
  193    H    LEU   6           HN       LEU  27  -9.165  -6.237   2.991
  194    HA   LEU   6           HA       LEU  27  -7.140  -7.475   1.175
  195   1HB   LEU   6           HB1      LEU  27  -6.851  -4.962   2.903
  196   2HB   LEU   6           HB2      LEU  27  -5.806  -5.459   1.588
  197    HG   LEU   6           HG       LEU  27  -8.707  -4.538   1.344
  198   1HD1  LEU   6          HD11      LEU  27  -6.110  -3.239   0.429
  199   2HD1  LEU   6          HD13      LEU  27  -7.722  -2.608   0.125
  200   3HD1  LEU   6          HD12      LEU  27  -7.114  -2.704   1.767
  201   1HD2  LEU   6          HD21      LEU  27  -8.210  -6.275  -0.382
  202   2HD2  LEU   6          HD23      LEU  27  -8.405  -4.695  -1.108
  203   3HD2  LEU   6          HD22      LEU  27  -6.795  -5.364  -0.889
  204    H    CYS   7           HN       CYS  28  -6.883  -9.336   2.292
  205    HA   CYS   7           HA       CYS  28  -5.616  -9.135   4.993
  206   1HB   CYS   7           HB1      CYS  28  -8.073 -10.231   4.508
  207   2HB   CYS   7           HB2      CYS  28  -7.052 -11.637   4.336
  208    H    GLY   8           HN       GLY  29  -4.601 -11.360   5.470
  209   1HA   GLY   8           HA1      GLY  29  -2.368 -12.177   5.042
  210   2HA   GLY   8           HA2      GLY  29  -3.477 -13.328   4.354
  211    H    SER   9           HN       SER  30  -1.379 -10.685   3.620
  212    HA   SER   9           HA       SER  30   0.364 -10.719   1.984
  213   1HB   SER   9           HB1      SER  30  -1.668 -12.149   0.109
  214   2HB   SER   9           HB2      SER  30  -0.024 -11.687  -0.325
  215    HG   SER   9           HG1      SER  30  -0.834 -13.825   1.048
  216    H    HIS  10           HN       HIS  31  -2.947 -10.196   1.163
  217    HA   HIS  10           HA       HIS  31  -2.707  -8.177  -0.793
  218   1HB   HIS  10           HB1      HIS  31  -4.711  -8.298   1.540
  219   2HB   HIS  10           HB2      HIS  31  -4.932  -7.340   0.082
  220    HD1  HIS  10           HD1      HIS  31  -7.088  -9.281   0.278
  221    HD2  HIS  10           HD2      HIS  31  -3.500 -10.506  -1.254
  222    HE1  HIS  10           HE1      HIS  31  -7.542 -11.308  -1.020
  223    H    LEU  11           HN       LEU  32  -2.610  -7.997   2.733
  224    HA   LEU  11           HA       LEU  32  -2.223  -5.256   3.114
  225   1HB   LEU  11           HB1      LEU  32  -1.002  -7.642   4.581
  226   2HB   LEU  11           HB2      LEU  32  -0.546  -6.021   5.032
  227    HG   LEU  11           HG       LEU  32  -2.246  -6.898   6.532
  228   1HD1  LEU  11          HD12      LEU  32  -2.250  -4.481   6.084
  229   2HD1  LEU  11          HD11      LEU  32  -3.381  -4.695   4.757
  230   3HD1  LEU  11          HD13      LEU  32  -3.881  -5.059   6.399
  231   1HD2  LEU  11          HD21      LEU  32  -3.362  -8.447   5.005
  232   2HD2  LEU  11          HD23      LEU  32  -4.519  -7.364   5.765
  233   3HD2  LEU  11          HD22      LEU  32  -4.025  -7.097   4.094
  234    H    VAL  12           HN       VAL  33   0.497  -7.494   3.234
  235    HA   VAL  12           HA       VAL  33   2.658  -5.959   2.970
  236    HB   VAL  12           HB       VAL  33   2.195  -8.468   1.275
  237   1HG1  VAL  12          HG11      VAL  33   4.803  -7.215   2.233
  238   2HG1  VAL  12          HG13      VAL  33   4.661  -8.754   1.398
  239   3HG1  VAL  12          HG12      VAL  33   4.244  -7.272   0.569
  240   1HG2  VAL  12          HG22      VAL  33   3.331  -8.150   4.084
  241   2HG2  VAL  12          HG21      VAL  33   1.765  -8.847   3.704
  242   3HG2  VAL  12          HG23      VAL  33   3.230  -9.660   3.193
  243    H    GLU  13           HN       GLU  34   1.009  -7.037   0.047
  244    HA   GLU  13           HA       GLU  34   2.612  -5.330  -1.639
  245   1HB   GLU  13           HB1      GLU  34  -0.132  -6.507  -2.312
  246   2HB   GLU  13           HB2      GLU  34   1.113  -5.958  -3.427
  247   1HG   GLU  13           HG2      GLU  34   2.651  -7.771  -2.489
  248   2HG   GLU  13           HG1      GLU  34   1.313  -8.336  -1.513
  249    H    ALA  14           HN       ALA  35  -0.796  -4.901  -0.570
  250    HA   ALA  14           HA       ALA  35  -1.336  -2.527  -1.901
  251   1HB   ALA  14           HB2      ALA  35  -2.992  -3.768  -0.475
  252   2HB   ALA  14           HB1      ALA  35  -2.123  -3.268   0.968
  253   3HB   ALA  14           HB3      ALA  35  -2.944  -2.072  -0.025
  254    H    LEU  15           HN       LEU  36   0.319  -2.973   1.145
  255    HA   LEU  15           HA       LEU  36   0.821  -0.146   1.578
  256   1HB   LEU  15           HB1      LEU  36   2.622  -2.422   2.614
  257   2HB   LEU  15           HB2      LEU  36   2.352  -0.871   3.371
  258    HG   LEU  15           HG       LEU  36   0.575  -3.278   3.321
  259   1HD1  LEU  15          HD11      LEU  36   1.690  -1.649   5.578
  260   2HD1  LEU  15          HD13      LEU  36   0.569  -2.989   5.757
  261   3HD1  LEU  15          HD12      LEU  36   2.163  -3.258   5.079
  262   1HD2  LEU  15          HD22      LEU  36  -0.321  -0.471   3.945
  263   2HD2  LEU  15          HD21      LEU  36  -0.973  -1.530   2.735
  264   3HD2  LEU  15          HD23      LEU  36  -1.222  -1.916   4.420
  265    OH   TYR  16           OH       TYR  37   4.441  -7.367  -4.318
  266    H    TYR  16           HN       TYR  37   2.842  -2.777   0.306
  267    HA   TYR  16           HA       TYR  37   4.890  -0.846  -0.338
  268   1HB   TYR  16           HB1      TYR  37   6.153  -2.767  -0.719
  269   2HB   TYR  16           HB2      TYR  37   4.857  -3.437   0.224
  270    HD1  TYR  16           HD2      TYR  37   4.314  -2.991  -3.475
  271    HD2  TYR  16           HD1      TYR  37   5.366  -5.587  -0.267
  272    HE1  TYR  16           HE2      TYR  37   4.120  -4.767  -4.905
  273    HE2  TYR  16           HE1      TYR  37   5.105  -7.493  -1.755
  274    HH   TYR  16           HH       TYR  37   4.161  -7.031  -5.172
  275    H    LEU  17           HN       LEU  38   1.854  -1.269  -1.624
  276    HA   LEU  17           HA       LEU  38   2.589  -0.987  -4.452
  277   1HB   LEU  17           HB1      LEU  38   0.192  -1.640  -3.116
  278   2HB   LEU  17           HB2      LEU  38  -0.103   0.022  -3.578
  279    HG   LEU  17           HG       LEU  38   0.715  -2.258  -5.444
  280   1HD1  LEU  17          HD12      LEU  38  -1.637  -2.391  -4.703
  281   2HD1  LEU  17          HD11      LEU  38  -1.902  -0.725  -5.201
  282   3HD1  LEU  17          HD13      LEU  38  -1.556  -1.960  -6.401
  283   1HD2  LEU  17          HD22      LEU  38   0.054   0.639  -6.137
  284   2HD2  LEU  17          HD21      LEU  38   1.647  -0.093  -6.261
  285   3HD2  LEU  17          HD23      LEU  38   0.351  -0.646  -7.298
  286    H    VAL  18           HN       VAL  39   2.162   0.812  -1.536
  287    HA   VAL  18           HA       VAL  39   2.304   3.461  -2.847
  288    HB   VAL  18           HB       VAL  39   2.082   2.661   0.110
  289   1HG1  VAL  18          HG12      VAL  39   2.972   4.980  -0.259
  290   2HG1  VAL  18          HG11      VAL  39   1.559   5.349  -1.238
  291   3HG1  VAL  18          HG13      VAL  39   1.387   5.002   0.477
  292   1HG2  VAL  18          HG21      VAL  39   0.106   1.904  -1.201
  293   2HG2  VAL  18          HG23      VAL  39  -0.321   3.196  -0.103
  294   3HG2  VAL  18          HG22      VAL  39  -0.110   3.535  -1.817
  295    H    CYS  19           HN       CYS  40   3.930   1.483  -0.516
  296    HA   CYS  19           HA       CYS  40   6.530   2.887  -0.925
  297   1HB   CYS  19           HB1      CYS  40   5.656   1.288   1.493
  298   2HB   CYS  19           HB2      CYS  40   7.110   2.219   1.284
  299    H    GLY  20           HN       GLY  41   6.017   0.908  -2.735
  300   1HA   GLY  20           HA1      GLY  41   8.135  -1.131  -2.158
  301   2HA   GLY  20           HA2      GLY  41   6.576  -1.740  -2.745
  302    H    GLU  21           HN       GLU  42   5.804  -0.296  -4.546
  303    HA   GLU  21           HA       GLU  42   7.682  -0.649  -6.809
  304   1HB   GLU  21           HB1      GLU  42   4.687  -0.120  -6.724
  305   2HB   GLU  21           HB2      GLU  42   5.595  -0.457  -8.189
  306   1HG   GLU  21           HG2      GLU  42   6.209  -2.686  -7.363
  307   2HG   GLU  21           HG1      GLU  42   5.457  -2.374  -5.811
  308    NH1  ARG  22           NH2      ARG  43   9.272   6.059  -1.500
  309    NH2  ARG  22           NH1      ARG  43   7.117   5.596  -2.057
  310    H    ARG  22           HN       ARG  43   8.856   1.237  -5.991
  311    HA   ARG  22           HA       ARG  43   7.810   3.793  -7.147
  312   1HB   ARG  22           HB1      ARG  43   9.214   4.918  -5.338
  313   2HB   ARG  22           HB2      ARG  43   7.836   4.013  -4.751
  314   1HG   ARG  22           HG2      ARG  43   9.274   2.104  -4.139
  315   2HG   ARG  22           HG1      ARG  43  10.675   2.882  -4.850
  316   1HD   ARG  22           HD2      ARG  43  10.627   3.142  -2.367
  317   2HD   ARG  22           HD1      ARG  43  10.527   4.702  -3.170
  318    HE   ARG  22           HE       ARG  43   8.117   3.266  -2.090
  319   1HH1  ARG  22          HH22      ARG  43  10.223   5.760  -1.423
  320   2HH1  ARG  22          HH21      ARG  43   9.015   6.988  -1.233
  321   1HH2  ARG  22          HH12      ARG  43   6.422   4.956  -2.379
  322   2HH2  ARG  22          HH11      ARG  43   6.851   6.528  -1.813
  323    H    GLY  23           HN       GLY  44   9.039   2.096  -8.718
  324   1HA   GLY  23           HA1      GLY  44  11.082   1.440  -9.794
  325   2HA   GLY  23           HA2      GLY  44  10.531   2.903 -10.544
  326    H    GLY  24           HN       GLY  45  12.527   3.188 -11.409
  327   1HA   GLY  24           HA1      GLY  45  14.681   4.178  -9.567
  328   2HA   GLY  24           HA2      GLY  45  15.034   3.320 -11.060
  329    H    PHE  25           HN       PHE  46  16.276   5.506 -10.878
  330    HA   PHE  25           HA       PHE  46  14.877   7.407 -12.689
  331   1HB   PHE  25           HB1      PHE  46  14.915   8.435 -10.477
  332   2HB   PHE  25           HB2      PHE  46  16.628   8.080 -10.296
  333    HD1  PHE  25           HD1      PHE  46  14.300   9.815 -12.699
  334    HD2  PHE  25           HD2      PHE  46  18.158   9.748 -10.884
  335    HE1  PHE  25           HE1      PHE  46  14.878  11.911 -13.835
  336    HE2  PHE  25           HE2      PHE  46  18.728  11.841 -12.022
  337    HZ   PHE  25           HZ       PHE  46  17.091  12.928 -13.500
  338    OH   TYR  26           OH       TYR  47  25.502   7.487 -14.722
  339    H    TYR  26           HN       TYR  47  17.974   6.504 -11.440
  340    HA   TYR  26           HA       TYR  47  19.337   7.424 -13.915
  341   1HB   TYR  26           HB1      TYR  47  20.225   8.081 -11.653
  342   2HB   TYR  26           HB2      TYR  47  20.515   6.388 -11.294
  343    HD1  TYR  26           HD1      TYR  47  21.236   8.833 -14.065
  344    HD2  TYR  26           HD2      TYR  47  22.709   5.626 -11.682
  345    HE1  TYR  26           HE1      TYR  47  23.401   8.987 -15.193
  346    HE2  TYR  26           HE2      TYR  47  24.874   5.782 -12.812
  347    HH   TYR  26           HH       TYR  47  26.006   6.694 -14.528
  348    H    THR  27           HN       THR  48  17.953   5.624 -14.739
  349    HA   THR  27           HA       THR  48  19.510   3.085 -14.932
  350    HB   THR  27           HB       THR  48  17.155   2.036 -15.448
  351    HG1  THR  27           HG1      THR  48  15.906   3.908 -13.974
  352   1HG2  THR  27          HG21      THR  48  17.553   3.323 -12.684
  353   2HG2  THR  27          HG23      THR  48  16.547   1.928 -13.042
  354   3HG2  THR  27          HG22      THR  48  18.295   1.807 -13.171
  355    HA   PRO  28           HA       PRO  49  19.546   5.223 -18.849
  356   1HB   PRO  28           HB1      PRO  49  18.021   7.309 -19.555
  357   2HB   PRO  28           HB2      PRO  49  17.396   5.672 -19.793
  358   1HG   PRO  28           HG2      PRO  49  16.831   7.575 -17.467
  359   2HG   PRO  28           HG1      PRO  49  15.674   6.652 -18.428
  360   1HD   PRO  28           HD1      PRO  49  16.700   5.786 -15.989
  361   2HD   PRO  28           HD2      PRO  49  16.077   4.660 -17.216
  362    H    LYS  29           HN       LYS  50  19.975   7.991 -19.041
  363    HA   LYS  29           HA       LYS  50  21.120   8.621 -16.339
  364   1HB   LYS  29           HB1      LYS  50  22.182   9.327 -19.100
  365   2HB   LYS  29           HB2      LYS  50  22.923   9.818 -17.584
  366   1HG   LYS  29           HG2      LYS  50  23.025   7.317 -16.971
  367   2HG   LYS  29           HG1      LYS  50  22.539   6.982 -18.621
  368   1HD   LYS  29           HD2      LYS  50  24.530   8.181 -19.478
  369   2HD   LYS  29           HD1      LYS  50  25.020   8.555 -17.832
  370   1HE   LYS  29           HE2      LYS  50  25.136   6.093 -17.333
  371   2HE   LYS  29           HE1      LYS  50  24.711   5.751 -19.005
  372   1HZ   LYS  29           HZ1      LYS  50  26.849   7.550 -18.988
  373   2HZ   LYS  29           HZ3      LYS  50  27.220   6.274 -17.932
  374   3HZ   LYS  29           HZ2      LYS  50  26.806   5.945 -19.546
  375    H    THR  30           HN       THR  51  21.791  11.034 -16.339
  376    HA   THR  30           HA       THR  51  19.325  12.636 -16.889
  377    HB   THR  30           HB       THR  51  19.904  12.321 -14.446
  378    HG1  THR  30           HG1      THR  51  19.573  14.595 -15.822
  379   1HG2  THR  30          HG22      THR  51  22.459  12.252 -14.748
  380   2HG2  THR  30          HG21      THR  51  22.413  13.956 -15.165
  381   3HG2  THR  30          HG23      THR  51  21.944  13.434 -13.559
   
   
  No H/Q in entry =         381