*HEADER    HYDROLASE(ACTING ON ACID ANHYDRIDES)    20-FEB-91   1APS      1APS   2
*SOURCE    HORSE (EQUUS $CABALLUS) MUSCLE                                1APS   4
*AUTHOR    V.SAUDEK,A.PASTORE,G.RAMPONI,R.J.P.WILLIAMS                   1APS   6
*REVDAT   1   15-JUL-92 1APS    0                                        1APS   7
 1 SER
 2 THR
        HA       2 THR  QG      3.3
        QG      84 LYS  HA      3.8
        HB       4 ARG  QB      4.2
 3 ALA
        HN       3 ALA  HA      2.7
        HA       4 ARG  HN      2.7
        QB       4 ARG  HN      4.6 
 4 ARG
        HN       4 ARG  QB      3.8
        HA       4 ARG  QB      4.3
        QD       4 ARG  HE      3.8
        QB       4 ARG  HE      4.6
        HA       4 ARG  QD      4.6
        QD       4 ARG  QB      4.4
        HA       5 PRO  QD      3.3 
 5 PRO
        HA       6 LEU  HN      2.7
        QB       6 LEU  HN      4.2
 6 LEU
        HN       6 LEU  QB      3.8
        HA       7 LYS  HN      3.2
        QB       6 LEU  HA      3.8
        HG       6 LEU  HN      2.7
        QQD      6 LEU  HN      5.9
        HA       6 LEU  QQD     4.4
        QB       6 LEU  QQD     5.0
        QB       6 LEU  QQD     4.0
        QQD      7 LYS  HN      5.6
        QQD      7 LYS  QB      6.6 
 7 LYS 
        HN       7 LYS  HA      4.0
        HN       7 LYS  QB      4.6
        HA       8 SER  HN      2.7
        HN       8 SER  HN      4.0
        QB       8 SER  HN      4.6
        HA       7 LYS  QB      4.2
        HA      86 ILE  QG2     5.0
        HA      86 ILE  QG1     6.5
        HA      86 ILE  QD      5.0
        HA      85 THR  HA      2.7
        HA      85 THR  HB      4.0
        HA      85 THR  QG      4.6
        HA      86 ILE  HN      3.2
        QB      85 THR  HA      6.1
        HN      53 GLY  HN      4.0
        O       53 GLY  HN      3.0  
        HA      58 VAL  QQG     7.9
        HA      55 GLU  QB      6.5
        HA      55 GLU  QG      5.0
 8 SER
        HN       8 SER  HA      4.0
        HN       8 SER  QB      4.2
        HA       9 VAL  HN      2.7
        QB       9 VAL  HN      4.6
        HA       8 SER  QB      3.3
        HA      86 ILE  QG2     5.0
        HA      86 ILE  QD      5.0
        HA      86 ILE  QG1     5.0
        HA      86 ILE  HN      4.0
        QB      86 ILE  QG2     4.7
        QB      86 ILE  QG1     7.5
        QB      84 LYS  QG      5.6
        QB      84 LYS  QD      5.6
        HN      86 ILE  HN      4.0
        HN      85 THR  HA      4.0
        HN      86 ILE  QG2     5.0
        HN      86 ILE  QD      5.0
        HN      84 LYS  QG      5.0
        HN      84 LYS  O       3.0
        HA      52 GLN  HA      2.7
        HA      52 GLN  QB      4.2
        HA      52 GLN  QG      4.2
        HA      52 GLN  QE      5.0  
        HA      52 GLN  HA      3.7
        QB      52 GLN  HA      4.2
        QB      52 GLN  QB      5.2
        QB      52 GLN  QG      5.2
        QB      52 GLN  QE      5.2
        HA      58 VAL  QQG     6.4
        QB      89 LEU  QB      6.0
         
 9 VAL
        HN       9 VAL  HB      4.0
        HA      10 ASP  HN      4.0
        HB      10 ASP  HN      4.0
        HA       9 VAL  HB      2.7
        HN       9 VAL  QQG     3.6
        HA       9 VAL  QQG     3.6
        QQG     80 PHE  CG1     7.1
        QQG     11 TYR  HA      7.5
        QQG     83 GLU  HA      6.6
        QQG     80 PHE  QB     13.9
        QQG     80 PHE  CZ4     9.2
        QQG     83 GLU  QB      7.6           
        HA      83 GLU  HA      2.7
        HA      83 GLU  QB      4.6
        HA      83 GLU  QG      4.2
        HB      83 GLU  QB      3.7
        HN      52 GLN  HN      4.0
        HN      51 VAL  O       3.0  
10 ASP  
        HN      10 ASP  QB      3.8
        HA      11 TYR  HN      2.7
        QB      11 TYR  HN      4.8   
        HA      10 ASP  QB      3.3
        HA      11 TYR  CG1     5.6
        HN      81 SER  HN      4.0
        O       81 SER  HN      3.0
        HA      50 GLN  HA      2.7
        HA      49 GLY  HN      4.0
        HA      51 VAL  HN      3.2
        HA      50 GLN  QG      4.2 
11 TYR
        HN      11 TYR  HA      3.6
        QB      11 TYR  HN      5.7
        HA      12 GLU  HN      2.7
        HN      12 GLU  HN      4.0
        QB      12 GLU  HN      4.8
        QB      11 TYR  HA      3.3
        CG1     11 TYR  HA      5.6
        CG1     11 TYR  HN      5.6
        CZ4     11 TYR  QB      7.0
        CG1     12 GLU  HN      5.6
        CG1     13 VAL  HN      6.0
        CG1     80 PHE  CG1     7.0
        CG1     80 PHE  CZ4     7.6
        CG1     78 THR  QG      6.6
        CG1     82 ASN  QB      7.0
        CG1     80 PHE  CZ4     8.0
        CZ4     78 THR  QG      7.0
        QB      80 PHE  HA      5.0
        QB      80 PHE  CG1     5.7
        QB      80 PHE  CZ4     6.6
        QB      78 THR  QG      5.8
        HA      80 PHE  HA      2.7
        HA      78 THR  QG      4.6
        HA      80 PHE  QB      5.0
        CG1     51 VAL  HN      6.0
        CG1     48 THR  HA      6.0
        CG1     51 VAL  QQG     5.1 
        CG1     47 VAL  QQG     9.9 
        CZ4     51 VAL  HN      5.2
        CZ4     49 GLY  C       6.2
        CZ4     50 GLN  HN      5.2
        CZ4     50 GLN  HA      5.2
        CZ4     51 VAL  QQG     8.1
        CZ4     47 VAL  QQG     9.9
        HA      51 VAL  QQG     6.4
        HN      50 GLN  HA      4.0
        HN      49 GLY  HN      3.2
        O       49 GLY  HN      3.0
        OH      39 VAL  HA      2.7
        OH      39 VAL  HB      2.7
        OH      39 VAL  QQG     6.0
        OH      50 GLN  HN      3.2
        CG1     65 LEU  QQD     7.4
        CG1     65 LEU  HG      6.0
        CG1     64 TRP  HZ5     7.0
        CZ4     65 LEU  QQD     7.4             
        CZ4     65 LEU  HG      6.2
        CZ4     64 TRP  HZ7     6.0
        CZ4     61 MET  QB      8.5
        QB      65 LEU  QQD     8.2
        HA      65 LEU  QQD     6.5
        CG1     39 VAL  QQG     8.2
        CZ4     39 VAL  QQG     8.2            
12 GLU
        HA      12 GLU  HN      4.0
        HN      12 GLU  QB      4.2
        HA      13 VAL  HN      2.7
        HN      13 VAL  HN      4.0
        QB      13 VAL  HN      4.4
        HA      12 GLU  QB      3.8
        HA      12 GLU  QG      3.8
        QB      79 ASN  QD      5.8
        HN      80 PHE  CZ4     6.0
        HN      80 PHE  CG1     6.0
        HN      79 ASN  HN      3.2
        HN      80 PHE  HA      4.0
        O       79 ASN  HN      3.0
        HA      48 THR  QG      5.0
        HA      48 THR  HB      3.2
        QB      48 THR  HA      4.8
        QB      46 THR  QG      6.0
        HN      46 THR  HB      4.0
        HN      48 THR  HB      4.0
        QG      46 THR  QG      6.0
13 VAL
        HN      13 VAL  HB      3.2
        HA      14 PHE  HN      4.0
        HB      13 VAL  HA      2.7
        HA      13 VAL  QQG     3.8
        HA      78 THR  HA      2.7
        HA      78 THR  QG      5.0
        HA      14 PHE  CG1     5.2  
        QQG     78 THR  HA      6.0
        QQG     78 THR  HB      6.4
        QQG     14 PHE  HN      7.5
        HN      47 VAL  HN      4.0
        HB      47 VAL  HN      3.2
        HN      48 THR  HB      4.0
        HN      47 VAL  QQG     7.9
        HN      47 VAL  O       2.7
        O       47 VAL  HN      2.7
        HN      78 THR  QG      5.0
        QQG     22 PHE  CG1     7.6
        QQG     20 VAL  QQG     8.5 
14 PHE
        HN      14 PHE  HA      4.0
        HN      14 PHE  QB      4.2
        HA      14 PHE  QB      4.2
        CG1     14 PHE  HN      5.6
        CG1     14 PHE  HA      5.7
        CZ4     14 PHE  HN      6.0
        HN      78 THR  HA      3.2
        HN      77 ARG  QD      5.0
        HN      77 ARG  HN      4.0
        CG1     78 THR  HA      5.2
        CG1     77 ARG  QD      5.7
        CG1     77 ARG  QB      6.2
        CG1     79 ASN  HN      6.0
        CG1     77 ARG  QD      7.0
        CZ4     79 ASN  HN      6.0
        CZ4     79 ASN  QD      6.2
        HZ4     79 ASN  QB      4.2
        QB      77 ARG  QB      7.5
        HZ4     79 ASN  QD      6.5
        QB      77 ARG  HN      4.2
        O       77 ARG  HN      3.0
        HA      46 THR  QG      3.7
        QB      46 THR  QG      6.0 
        HA      20 VAL  QQG     6.2
15 GLY
16 ARG
17 VAL
18 GLN
19 GLY  C       20 VAL  HN      5.2   
20 VAL
        HA      20 VAL  HN      4.0
        HN      20 VAL  HB      3.2
        HA      21 CYS  HN      3.2
        HA      20 VAL  HB      2.7
        QQG     20 VAL  HN      5.5
        HA      20 VAL  QQG     3.3
        HA      22 PHE  CG1     5.7
        HA      22 PHE  QB      6.5
        HA      75 ILE  QD      5.0
        HA      75 ILE  QG2     4.2
        HB      22 PHE  CG1     5.7
        HB      47 VAL  QQG     7.1
        QQG     22 PHE  CG1     7.1
        QQG     21 CYS  QB      6.6
        QQG     21 CYS  HA      5.2
        QQG     47 VAL  QQG     8.0
        QQG     75 ILE  HA      6.2
        QQG     46 THR  HA      6.4
        QQG     22 PHE  CZ4     8.4
        QQG     14 PHE  HA      6.4
        QQG     47 VAL  HN      6.6
21 CYS
        HN      21 CYS  HA      4.0
        HN      21 CYS  QB      3.8
        HA      21 CYS  QB      3.3
        HA      22 PHE  CG1     5.2
        QB      22 PHE  CG1     6.2
        HN      23 ARG  QG      5.0 
22 PHE
        HA      22 PHE  QB      3.3
        CG1     22 PHE  HA      3.7    
        CZ4     22 PHE  HA      6.0
        QB      23 ARG  HN      4.6
        CG1     23 ARG  QD      5.7
        CG1     23 ARG  QG      6.2
        CG1     23 ARG  HN      4.0
        HA      25 TYR  QB      4.0
        O       26 ALA  N       3.0
        CZ4     65 LEU  QQD     8.6 
        CZ4     64 TRP  HZ5     6.0
        QB      75 ILE  QG2     6.0
        QB      75 ILE  QG1     7.5
        CG1     47 VAL  HB      6.0
        CG1     47 VAL  QQG     7.1
        CG1     75 ILE  QG2     6.2
        CG1     75 ILE  QD      6.1
        CG1     75 ILE  QG1     7.0
        CG1     75 ILE  HB      5.7
        CG1     39 VAL  QQG     8.2
        CZ4     75 ILE  QD      7.0      
23 ARG
        HN      23 ARG  HA      3.2
        HN      23 ARG  QB      3.8
        HA      23 ARG  QB      3.8
        HN      23 ARG  QG      4.2
        HN      23 ARG  QD      5.0
        QG      23 ARG  QB      5.2
        QG      23 ARG  QD      3.9
        HA      23 ARG  QG      3.3 
        HA      24 MET  HN      4.0
        HN      24 MET  HN      2.7
        QG      24 MET  HN      5.0
        HA      26 ALA  QB      3.7
        HN      27 GLU  QB      5.7
        NE      27 GLU  QB      5.0        
        O       27 GLU  N       3.0  
        HA      64 TRP  HZ7     4.0
        HA      39 VAL  QQG     5.6 
        QD      75 ILE  QD      5.2
        QD      75 ILE  QG2     6.0
        QD      39 VAL  QQG     7.4
24 MET  
        HN      24 MET  HA      3.2
        HN      24 MET  QB      3.8
        HA      24 MET  QB      3.3
        HA      24 MET  QG      4.6
        HN      24 MET  QG      5.0
        HN      25 TYR  HN      4.0
        QB      25 TYR  HN      4.6
        HA      27 GLU  HN      3.2
        HA      27 GLU  QG      3.8
        O       28 ASP  N       3.0
25 TYR
        HN      25 TYR  HA      2.7
        HN      25 TYR  QB      4.6
        HA      25 TYR  QB      3.8
        HN      25 TYR  CG1     6.0
        HA      25 TYR  CG1     3.7
        HA      25 TYR  CZ4     4.6        
        HA      26 ALA  HN      3.2
        HN      26 ALA  HN      2.7
        HA      28 ASP  QB      4.2
        CG1     30 ALA  HA      5.2
        O       29 GLU  N       3.0
        QB      64 TRP  HZ7     3.7
        QB      64 TRP  HH6     6.0
        CG1     65 LEU  QQD     8.5
        CG1     65 LEU  QB      8.5
        CZ4     64 TRP  QB      6.5
        CZ4     65 LEU  QQD     7.7
        HN      64 TRP  HH6     4.0
        HA      64 TRP  HZ7     4.2
        HA      64 TRP  HH6     4.0
26 ALA 
        HN      26 ALA  HA      2.7
        HN      26 ALA  QB      3.3
        HA      26 ALA  QB      3.3
        HN      27 GLU  HN      2.7
        QB      27 GLU  HN      3.7
        HA      29 GLU  HN      4.0
        HA      29 GLU  QB      4.2
        HA      30 ALA  HN      4.0
        O       30 ALA  N       3.0
        HA      64 TRP  HH6     3.7
        QB      64 TRP  HZ5     3.2
        QB      64 TRP  HH6     2.7
        HN      64 TRP  HZ5     4.0
        HN      64 TRP  HH6     4.0
        HN      64 TRP  HZ7     3.6  
        QB      39 VAL  QQG     8.9 
27 GLU
        HN      27 GLU  HA      2.7
        HN      27 GLU  QB      3.3
        HA      27 GLU  QB      4.2
        QB      27 GLU  QG      4.4
        HA      27 GLU  QG      4.6
        HA      28 ASP  HN      4.0
        QB      28 ASP  HN      4.2
        HN      28 ASP  HN      2.7 
        HA      30 ALA  HN      4.0
        HA      30 ALA  QB      3.7
        HA      31 ARG  QD      5.0
        O       31 ARG  N       3.0 
28 ASP 
        HN      28 ASP  HA      3.2
        HN      28 ASP  QB      3.3
        HA      28 ASP  QB      3.3
        HA      29 GLU  HN      4.0
        QB      29 GLU  HN      4.2
        HA      31 ARG  QD      5.0
        HA      31 ARG  QB      4.3
        HN      29 GLU  HN      2.7
        O       32 LYS  N       3.0        
29 GLU
        HN      29 GLU  HA      2.7
        HN      29 GLU  QB      3.3
        HA      29 GLU  QB      3.8
        HA      29 GLU  QG      4.6
        HN      29 GLU  QG      5.0
        QB      29 GLU  QG      5.2
        HA      30 ALA  HN      4.0
        QB      30 ALA  HN      5.0
        QG      30 ALA  HN      4.2
        HN      30 ALA  HN      2.7      
        HA      32 LYS  HN      3.2
        HA      32 LYS  QB      4.0
        HA      33 ILE  HN      4.0
        O       33 ILE  N       3.0
30 ALA 
        HN      30 ALA  HA      2.7
        HN      30 ALA  QB      3.3
        HA      30 ALA  QB      3.3
        HN      31 ARG  QG      5.0
        HA      31 ARG  HN      4.0
        HN      31 ARG  HN      3.2
        QB      31 ARG  HN      5.0
        QB      31 ARG  QB      5.2
        HA      33 ILE  HN      4.0
        HA      33 ILE  HB      3.2
        HA      33 ILE  QG1     4.6
        HA      33 ILE  QG2     5.0
        QB      33 ILE  QG1     6.0
        HA      34 GLY  HN      4.0
        HA      35 VAL  QQG     5.1
        HA      35 VAL  HN      4.0
        HA      35 VAL  HB      4.0  
        QB      35 VAL  HB      5.0
        QB      35 VAL  HN      4.2
        QB      35 VAL  QQG     6.1
        HN      35 VAL  QQG     5.6
        O       34 GLY  N       3.0
        QB      36 VAL  HA      3.2 
        QB      94 PHE  CG1     5.7
        QB      94 PHE  HZ4     5.0
        QB      94 PHE  HA      4.2
        QB      94 PHE  QB      5.0
        QB      94 PHE  HN      4.2
31 ARG 
        HN      31 ARG  HA      2.7
        HN      31 ARG  QB      3.8
        HA      31 ARG  QB      3.8
        HA      31 ARG  QG      3.3
        HN      31 ARG  QG      4.2
        QG      31 ARG  QD      3.3
        NE      31 ARG  QB      3.1
        NE      31 ARG  QG      3.6
        QD      32 LYS  HN      5.0
        HA      32 LYS  HN      4.0
        QB      32 LYS  HN      3.7
        HA      33 ILE  HN      4.0
        HN      32 LYS  HN      2.7
        HA      34 GLY  HN      4.0
        O       35 VAL  N       3.0 
32 LYS  
        HN      32 LYS  HA      2.7
        HN      32 LYS  QB      3.3
        HA      32 LYS  QB      3.8
        HN      33 ILE  HN      3.2
        QB      32 LYS  QG      4.2
        QB      32 LYS  QD      4.9
        HA      33 ILE  QD      3.7
        CD      33 ILE  HN      4.7
        QG      93 ASN  HA      4.2
        QD      93 ASN  HA      4.2
33 ILE
        HN      33 ILE  HA      3.2
        HN      33 ILE  HB      2.7
        HA      33 ILE  HB      2.7
        HA      33 ILE  QG1     3.3
        HA      33 ILE  QG2     3.3
        HA      33 ILE  QD      4.2        
        HN      33 ILE  QG1     4.2
        HN      33 ILE  QG2     4.2
        HN      33 ILE  QD      4.2
        HB      33 ILE  QG1     3.6
        QG1     33 ILE  QD      4.2
        QG2     33 ILE  QD      5.7
        HN      34 GLY  HN      2.7
        HB      34 GLY  HN      2.7
        QD      35 VAL  QQG     7.4
        HB      61 MET  QG      4.2
        HB      61 MET  QB      4.7
        QG1     61 MET  QG      6.2
        QG1     61 MET  QB      6.7
        QG1     65 LEU  QQD     6.2
        QG2     61 MET  QG      6.0
34 GLY
        HN      34 GLY  C       3.3
        C       35 VAL  HN      4.2
        C       35 VAL  QQG     8.9
        HN      35 VAL  HN      2.7  
35 VAL  
        HN      35 VAL  HA      3.2
        HN      35 VAL  HB      4.0
        HN      36 VAL  HN      2.7
        HB      36 VAL  HN      2.7
        HA      35 VAL  HB      2.7
        HA      35 VAL  QQG     3.3
        HN      35 VAL  QQG     4.4
        HN      36 VAL  HN      2.7
        QQG     52 GLN  HN      6.4
        QQG     36 VAL  HN      5.6
        QQG     62 LYS  HN      5.6
        QQG     53 GLY  HN      6.4
        QQG     51 VAL  HA      6.4
        HA      53 GLY  C       4.6
        HA      36 VAL  QQG     5.5
        HB      51 VAL  HA      4.0
        HA      54 PRO  QD      6.5  
        QQG     94 PHE  CG1     7.1
        QQG     94 PHE  CZ4     7.6
        HA      89 LEU  QQD     4.8
36 VAL
        HN      36 VAL  HA      3.0
        HA      37 GLY  HN      4.0
        HB      37 GLY  HN      2.7
        HA      36 VAL  HB      2.7
        HN      36 VAL  QQG     5.4
        HA      36 VAL  QQG     3.3
        QQG     37 GLY  HN      5.6
        QQG     52 GLN  HA      6.4
        O       52 GLN  N       3.0
        HN      51 VAL  HA      4.0 
        HN      52 GLN  HN      3.2
        QQG     54 PRO  HA      7.1
        HB      94 PHE  HA      3.2
        HB      93 ASN  HA      3.2
        HB      91 TYR  CG1     5.2
        HB      94 PHE  HN      4.0
        HB      91 TYR  QB      4.2
        HA      94 PHE  QB      3.7
        HA      94 PHE  HA      2.7
        HA      94 PHE  CG1     7.6
        HA      94 PHE  CZ4     6.0
        HA      91 TYR  QB      5.0
        QQG     91 TYR  CG1     8.6
        QQG     91 TYR  CZ4     8.6
        QQG     91 TYR  QB      6.4
        QQG     91 TYR  HN      7.1      
37 GLY
        HN      37 GLY  C       6.5
        C       38 TRP  HN      3.7
        C       38 TRP  HD2     4.2
        C       38 TRP  HZ7     6.5
        C       51 VAL  HA      5.7
        C       94 PHE  CG1     6.2
        C       94 PHE  CZ4     7.0
        C       91 TYR  CG1     6.2
        C       91 TYR  CZ4     7.7
        HN      94 PHE  CG1     6.0
        HN      94 PHE  CZ4     6.0
        HN      91 TYR  CG1     6.0
        HN      95 SER  HN      3.2
        HN      94 PHE  HN      4.0
        HN      91 TYR  QB      5.0
38 TRP
        HA      39 VAL  HN      2.7
        QB      39 VAL  HN      4.2
        HA      38 TRP  QB      3.3
        HE1     38 TRP  QB      6.1
        HD2     38 TRP  QB      3.7
        HE4     38 TRP  HA      4.0
        HE4     38 TRP  QB      4.2
        HD2     38 TRP  HN      3.2
        HA      39 VAL  QQG     6.0
        HN      50 GLN  QB      4.2
        HE1     49 GLY  C       5.0
        HH6     50 GLN  QB      4.2
        HD2     50 GLN  QB      4.2
        HE4     40 LYS  HN      4.2
        HE4     49 GLY  C       5.0
        HE4     39 VAL  HN      4.0
        HE4     39 VAL  HA      3.2
        HE4     50 GLN  QB      4.2
        HE4     40 LYS  HA      4.0
        HE4     40 LYS  QB      4.2
        HE4     49 GLY  C       5.0
        HZ5     40 LYS  HN      4.0
        HZ5     49 GLY  C       5.0
        HZ5     39 VAL  HA      4.0
        HZ5     48 THR  QG      3.7
        HZ5     40 LYS  HA      4.0
        HZ5     40 LYS  QB      4.2
        HH6     48 THR  QG      3.7
        HZ7     50 GLN  QG      4.2 
        HZ7     50 GLN  QB      5.0
        HZ7     50 GLN  QE      6.5
        HZ7     49 GLY  C       5.0
        HN      50 GLN  HN      3.2
        O       50 GLN  HN      3.0
        HA      95 SER  HN      2.7
        HA      94 PHE  HA      4.0
        HA      94 PHE  CZ4     6.0
        HN      94 PHE  CG1     6.0
        HN      94 PHE  CZ4     5.2
        HN      91 TYR  CG1     6.0
        HE1     91 TYR  CZ4     7.2
        HD2     91 TYR  CG1     5.2
        HD2     91 TYR  CZ4     4.7
        HE4     97 ARG  QB      4.0
        HE4     97 ARG  QG      4.2
        HE4     97 ARG  QD      4.8
        HZ5     97 ARG  QB      5.7
        HN      91 TYR  CG1     6.0
        HN      94 PHE  CZ4     6.0
39 VAL  
        HN      39 VAL  HA      4.0
        HN      39 VAL  HB      3.2
        HA      40 LYS  HN      2.7
        HB      40 LYS  HN      3.2
        HA      39 VAL  HB      2.7
        HA      39 VAL  QQG     3.7
        HA      49 GLY  C       3.7
        QQG     40 LYS  HN      5.6
        QQG     51 VAL  QQG     9.5
        HA      94 PHE  HZ4     4.0
        HA      94 PHE  CZ4     6.0
        HB      94 PHE  HA      3.2
        HB      94 PHE  CZ4     4.7
        HB      94 PHE  HZ4     2.7
        QQG     94 PHE  CZ4     7.4
        QQG     94 PHE  HZ4     5.6
        QQG     96 VAL  HA      5.6
        HN      94 PHE  CG1     6.0
        HN      98 TYR  CZ4     5.2
        HN      97 ARG  HN      4.0
        HN      96 VAL  HA      4.0
40 LYS
        HN      40 LYS  HA      4.0
        HN      40 LYS  QB      4.6
        HA      40 LYS  QB      4.2
        HN      49 GLY  C       6.5
        O       48 THR  HN      3.0
        HN      98 TYR  CG1     6.0
41 ASN        
        HN      41 ASN  QB      3.3
        HA      42 THR  HN      2.7
        HN      41 ASN  QB      3.6
        HA      41 ASN  QB      4.2
        QB      41 ASN  QD      4.8
        HA      47 VAL  QQG     5.6
        HA      47 VAL  HA      2.7
        HA      42 THR  QG      5.0
        QB      42 THR  HA      5.0
        QB      47 VAL  HA      5.0
        QB      47 VAL  QQG     6.4
42 THR
        HA      42 THR  HN      4.0
        HA      42 THR  HB      2.7
        HA      42 THR  QG      3.3
        QG      47 VAL  HA      4.2 
        QG      48 THR  HB      3.7
        HA      48 THR  QG      5.0
        HB      46 THR  QG      5.0
43 SER
44 LYS
45 GLY
46 THR
        HA      47 VAL  HN      4.0
        HB      47 VAL  HN      3.2
        HA      46 THR  HB      2.7
        HN      46 THR  QG      4.2
47 VAL   
        HN      47 VAL  HA      4.0
        HN      47 VAL  HB      3.2
        HA      48 THR  HN      2.7
        HB      48 THR  HN      4.0
        HA      47 VAL  HB      3.2
        HN      47 VAL  QQG     4.6
        HA      47 VAL  QQG     3.3
        QQG     48 THR  HN      5.0
48 THR
        HN      48 THR  HB      3.2
        HA      49 GLY  HN      2.7
        HB      49 GLY  HN      2.7
        HB      48 THR  HA      2.7
        QG      48 THR  HN      3.3
        QG      49 GLY  HN      4.2
        QG      50 GLN  QE      7.1
49 GLY
        HN      49 GLY  C       4.2
        C       50 GLN  HN      2.7
50 GLN  
        HN      50 GLN  HA      3.2
        HN      50 GLN  QB      5.0
        HA      51 VAL  HN      2.7
        QB      51 VAL  HN      5.0
        HA      50 GLN  QB      3.8
        HA      50 GLN  QG      4.2
        QB      50 GLN  QG      5.0
        QE      50 GLN  QG      4.2
        QG      51 VAL  HN      4.2
51 VAL
        HN      51 VAL  HB      3.2
        HA      52 GLN  HN      2.7
        HA      51 VAL  HB      3.2
        HN      51 VAL  QQG     3.1
        HA      51 VAL  QQG     3.1
        QQG     52 GLN  HN      5.1                 
        QQG     65 LEU  QQD     9.0
        QQG     61 MET  QB      6.4
        QQG     61 MET  QG      7.4
        HA      94 PHE  CZ4     5.2
        QQG     94 PHE  CG1     7.1
        QQG     94 PHE  CZ4     7.1
        QQG     94 PHE  CZ4     5.6
52 GLN
        HN      52 GLN  HA      3.2
        HN      52 GLN  QB      4.6
        HA      53 GLY  HN      2.7
        QB      53 GLY  HN      4.2
        HA      52 GLN  QB      3.8
        HA      52 GLN  QG      3.8 
        QB      52 GLN  QG      3.9
        QE      52 GLN  QB      4.2
        HA      52 GLN  QE      4.6
        QE      52 GLN  QG      4.4
        QG      53 GLY  HN      4.2
        HA      89 LEU  QQD     5.0
        HN      94 PHE  CZ4     6.0
        HN      91 TYR  QB      6.5
        HA      86 ILE  QG1     6.5
        HA      86 ILE  QG2     5.0
        QB      86 ILE  QG1     6.0
        QB      86 ILE  QG2     6.0
        QG      86 ILE  QG1     7.5
        QG      86 ILE  QG2     6.0
53 GLY
        HN      53 GLY  C       5.0
        C       54 PRO  QD      5.8
        C       58 VAL  QQG     6.6
        HN      58 VAL  QQG     5.6
        C       89 LEU  QQD     5.9
        C       89 LEU  HG      8.9
        C       89 LEU  QB      5.2
        HN      89 LEU  QQD     6.6
54 PRO
        HA      55 GLU  HN      4.0
        QB      55 GLU  HN      5.7
55 GLU
        HN      55 GLU  HA      2.7
        HN      55 GLU  QB      3.3
        HA      55 GLU  QB      3.6
        HA      56 GLU  HN      2.7
        HA      55 GLU  QG      3.8
        QB      55 GLU  QG      5.2
        HN      55 GLU  QG      3.8        
        HA      58 VAL  HN      4.0
        HA      59 ASN  HN      4.0
        HN      56 GLU  HN      3.2
        QB      56 GLU  HN      4.6
        HA      58 VAL  HB      3.2
        HA      58 VAL  QQG     5.6
        O       59 ASN  HN      3.0
        HA      85 THR  QG      4.2
        QB      85 THR  QG      5.2
56 GLU  
        HN      56 GLU  HA      2.7
        HN      56 GLU  QB      3.6
        HA      56 GLU  QB      3.6
        HA      57 LYS  HN      4.0
        HA      59 ASN  HN      3.2
        HN      57 LYS  HN      2.7
        QB      57 LYS  HN      4.0
        HA      59 ASN  QB      3.7
        HA      56 GLU  QG      4.6
        HN      58 VAL  HN      4.0
        QB      56 GLU  QG      5.2
        HN      56 GLU  QG      4.6
        O       60 SER  HN      3.0
        QB      84 LYS  HA      6.5
57 LYS
        HN      57 LYS  HA      3.2
        HN      57 LYS  QB      4.2
        HA      57 LYS  QB      3.8
        HN      58 VAL  HN      3.2
        HA      60 SER  QB      3.7
        O       61 MET  HN      3.0
58 VAL
        HN      58 VAL  HA      2.7
        HN      58 VAL  HB      3.2
        HA      58 VAL  HB      3.2
        HA      59 ASN  HN      3.2
        HA      60 SER  HN      4.0
        HA      62 LYS  HN      4.0
        HN      59 ASN  HN      3.2
        HB      59 ASN  HN      2.7
        HA      61 MET  QB      4.2
        HN      58 VAL  QQG     4.4
        HA      58 VAL  QQG     3.3
        HB      58 VAL  QQG     3.3
        QQG     61 MET  HA      6.6
        HA      61 MET  QG      5.0
        O       62 LYS  HN      3.0
        HA      89 LEU  QQD     7.1
        HB      89 LEU  QQD     7.6
        QQG     89 LEU  QQD     8.2
59 ASN
        HN      59 ASN  HA      3.2
        HN      59 ASN  QB      3.3
        HA      59 ASN  QB      3.3
        HA      62 LYS  HN      3.2
        HN      60 SER  HN      3.2
        QB      60 SER  HN      4.2
        ND2     56 GLU  HA      4.2
        ND2     56 GLU  QB      5.0
        O       63 SER  HN      3.0
60 SER
        HN      60 SER  HA      3.2
        HN      60 SER  QB      3.3
        HA      60 SER  QB      3.3
        HN      61 MET  HN      3.2
        QB      61 MET  HN      4.2
        HA      63 SER  QB      3.7
        O       64 TRP  HN      3.0
61 MET 
        HN      61 MET  QB      3.3
        HA      61 MET  QB      4.2
        HA      61 MET  QG      4.6
        HA      64 TRP  HN      3.2
        HN      62 LYS  HN      3.2
        QB      62 LYS  HN      4.2
        HA      64 TRP  QB      5.0
        HN      64 TRP  HH6     4.0
        QB      65 LEU  QQD     6.0
        QG      65 LEU  QQD     7.4
        O       65 LEU  HN      3.0
62 LYS
        HN      62 LYS  HA      2.7
        HN      62 LYS  QB      3.8
        HA      62 LYS  QB      3.8
        HA      63 SER  HN      4.0
        HN      63 SER  HN      3.2
        QB      63 SER  HN      4.6
        HA      65 LEU  QB      4.2       
        HA      65 LEU  QQD     5.6
        HN      65 LEU  QQD     5.1
        HN      62 LYS  QG      3.8
        QG      62 LYS  HA      3.8
        QB      62 LYS  QG      4.8
        O       66 SER  HN      3.0
        HA      80 PHE  CG1     4.7
        HA      80 PHE  CZ4     5.2
        QB      80 PHE  CZ4     6.2
        QB      80 PHE  HZ4     5.0
        QG      80 PHE  CG1     7.0    
        QG      80 PHE  CZ4     7.0    
        QG      80 PHE  HZ4     5.0    
63 SER
        HN      63 SER  HA      3.2
        HN      63 SER  QB      3.3
        HA      63 SER  QB      3.3
        HN      64 TRP  HN      3.2
        QB      64 TRP  HN      3.7
64 TRP
        HN      64 TRP  HA      3.2
        HN      64 TRP  QB      3.3
        HA      64 TRP  QB      3.3
        HD2     64 TRP  QB      3.7
        HA      66 SER  HN      4.0
        HN      65 LEU  HN      3.2
        QB      65 LEU  HN      4.2
        HD2     64 TRP  HN      4.0
        HE4     65 LEU  HN      4.0
        HA      68 VAL  QQG     6.1
        HA      68 VAL  HB      3.2
        HA      80 PHE  HZ4     4.0
        QB      80 PHE  CZ4     6.8
        NE1     68 VAL  HB      4.0
        NE1     68 VAL  QQG     5.6
        NE1     75 ILE  HB      4.0
        HD2     68 VAL  HA      4.0
        HD2     75 ILE  HB      4.0
        HD2     68 VAL  HB      2.7
        HD2     68 VAL  QQG     6.1
        HE4     80 PHE  CG1     6.0
        HZ7     68 VAL  QQG     7.9
65 LEU
        HN      65 LEU  HA      2.7
        HN      65 LEU  QB      3.8
        HA      65 LEU  QB      3.8
        HN      66 SER  HN      2.7
        QB      66 SER  HN      5.0
        HN      65 LEU  HG      3.2
        HN      65 LEU  QQD     6.1
        HA      65 LEU  HG      3.2
        HA      65 LEU  QQD     5.1
        QB      65 LEU  QQD     5.7
        HG      65 LEU  QQD     5.1
        QQD     66 SER  HN      6.4
        HG      66 SER  HN      4.0
        QB      80 PHE  HZ4     4.8
        QB      80 PHE  CZ4     6.8
        QQD     80 PHE  CZ4     8.6
        QQD     80 PHE  CG1     8.5
        QQD     80 PHE  HZ4     7.7 
66 SER
        HN      66 SER  HA      4.0
        HN      66 SER  QB      3.8
        HA      66 SER  QB      4.6
        HN      67 LYS  HN      2.7
        HA      67 LYS  HN      4.0
67 LYS
        HN      67 LYS  QB      3.8
        HA      67 LYS  QB      4.8
68 VAL
        HN      68 VAL  HA      2.7
        HN      68 VAL  HB      3.2
        QQG     68 VAL  HN      4.9
        HA      68 VAL  QQG     3.3
        HA      68 VAL  HB      4.0
        HN      75 ILE  QD      4.2 
69 GLY
70 SER
71 PRO
72 SER
73 SER
74 ARG
75 ILE
        HA      75 ILE  HN      4.0
        HN      75 ILE  HB      3.2
        HA      76 ASP  HN      2.7
        HA      75 ILE  HB      2.7
        HA      75 ILE  QG1     4.0
        HA      75 ILE  QD      3.7
        HB      75 ILE  QG2     4.2
        HB      75 ILE  QD      4.2
        QG1     75 ILE  QD      6.2
        QG1     75 ILE  QD      5.2
        QD      75 ILE  HN      5.0
        HA      77 ARG  HN      3.2
        QG1     78 THR  HB      5.7
        QG1     78 THR  HA      6.5
        QG2     76 ASP  HN      4.2
        QG2     78 HB   HB      4.2
        QD      76 ASP  HN      5.0       
76 ASP       
        HN      76 ASP  QB      3.8
        HN      77 ARG  HN      3.2
        QB      77 ARG  HN      4.2
        QB      76 ARG  HA      3.3
        HN      77 ARG  QG      4.2  
77 ARG
        HA      77 ARG  HN      3.2
        HN      77 ARG  QB      3.3
        HA      78 THR  HN      2.7
        HN      78 THR  HN      4.0
        QB      78 THR  HN      5.3
        HA      77 ARG  QB      4.4 
        HN      77 ARG  QG      4.2
        QD      77 ARG  QB      5.0
        QG      77 ARG  QD      4.0
        HA      77 ARG  QG      3.3
        HE      77 ARG  QB      3.8
        QB      77 ARG  QG      4.2
        HE      77 ARG  QD      3.3
        HA      77 ARG  QD      4.6
        QB      79 ASN  HN      6.5
        QG      78 THR  HN      3.7
        QD      79 ASN  HN      5.0
78 THR  
        HN      78 THR  HA      3.2
        HN      78 THR  HB      2.7
        HA      79 ASN  HN      2.7
        HB      79 ASN  HN      4.0
        HA      78 THR  HB      2.7
        HN      78 THR  QG      3.3
        HA      78 THR  QG      3.3
        HA      80 PHE  CZ4     6.0
        HB      80 PHE  CZ4     6.2
        HB      80 PHE  HZ4     4.0
        QG      79 ASN  HN      3.7
        QG      80 PHE  CZ4     5.7
        QG      80 PHE  CG1     5.7
        QG      80 PHE  HZ4     3.7
        QG      80 PHE  HA      5.0
79 ASN  
        HN      79 ASN  HA      3.2
        HN      79 ASN  QB      3.8
        HA      80 PHE  HN      2.7
        QB      80 PHE  HN      4.8
        HA      79 ASN  QB      3.3
        QB      79 ASN  QD      4.4
        HA      80 PHE  CG1     6.0
        HA      80 PHE  CZ4     6.0
80 PHE 
        HA      80 PHE  HN      3.2
        HN      80 PHE  QB      4.4    
        HA      81 SER  HN      2.7
        QB      81 SER  HN      4.8
        QB      80 PHE  HA      3.3
        CG1     80 PHE  HA      4.7
        CZ4     80 PHE  HA      6.0
        CG1     80 PHE  HN      5.2
        CZ4     80 PHE  QB      6.5
        CG1     81 SER  HN      5.2
81 SER
        HN      81 SER  QB      4.6
        HA      82 ASN  HN      2.7
        QB      82 ASN  HN      3.7
        HA      81 SER  QB      3.7
        HA      83 GLU  HN      4.0
        QB      83 GLU  HN      5.0
        HA      82 ASN  QD      6.5
        QB      82 ASN  QD      9.0 
82 ASN
        HA      82 ASN  HN      2.7
        HN      82 ASN  QB      3.8
        HA      83 GLU  HN      2.7
        QB      83 GLU  HN      5.0
        HA      82 ASN  QB      3.7
        QB      82 ASN  QD      3.6
83 GLU
        HA      83 GLU  HN      2.7
        HA      84 LYS  HN      2.7
        QB      84 LYS  HN      5.0   
        QB      83 GLU  HA      4.4
        HA      83 GLU  QG      3.8
        HN      83 GLU  QG      3.8
        QB      83 GLU  QG      4.4
        QG      84 LYS  HN      4.2
84 LYS  
        HA      84 LYS  HN      3.2
        HN      84 LYS  QB      4.4
        HA      85 THR  HN      2.7
        QB      85 THR  HN      5.2
        HA      84 LYS  QB      3.3
        HA      84 LYS  QG      3.8
        HA      84 LYS  QD      3.8
        HN      84 LYS  QD      3.8
        HN      84 LYS  QG      3.8
        QZ      84 LYS  QD      5.2
        QZ      84 LYS  QG      5.2
85 THR
        HN      85 THR  HB      2.7
        HA      86 ILE  HN      2.7
        HA      86 ILE  HN      4.0
        HB      86 ILE  HN      4.0
        HA      85 THR  HB      2.7
        QG      85 THR  HN      3.8
        HA      85 THR  QG      3.3
        HB      86 ILE  HA      5.0
        QG      86 ILE  HN      3.7
        QG      86 ILE  HA      5.0   
86 ILE
        HA      86 ILE  HN      4.0
        HN      86 ILE  HB      4.0
        HA      86 ILE  HB      2.7
        HB      86 ILE  QG1     4.6
        HB      86 ILE  QG2     3.3
        QD      86 ILE  QG1     5.0  
        QD      86 ILE  HB      3.8
        HN      86 ILE  QG1     4.8
        HN      86 ILE  QG2     3.8
        HA      86 ILE  QG1     4.6
        QD      86 ILE  HA      4.6
        QG1     89 LEU  HA      8.1
        QD      89 LEU  HA      3.7
87 SER
        HN      87 SER  HA      3.2
        HN      87 SER  QB      3.8
        HA      88 LYS  HN      3.2
        HN      88 LYS  HN      2.7
        QB      88 LYS  HN      4.2
        HA      87 SER  QB      3.3
88 LYS
        HA      88 LYS  HN      3.2
        HN      88 LYS  QB      3.8
        HA      89 LEU  HN      2.7
        HN      89 LEU  HN      4.0
        QB      89 LEU  HN      5.2
        HA      88 LYS  QB      3.3
        QD      88 LYS  HN      5.0
        QG      88 LYS  HN      5.0
        QG      88 LYS  HA      5.0
        QD      88 LYS  HA      5.0
        HA      89 LEU  QQD     6.2
89 LEU
        HA      89 LEU  HN      3.2
        HA      90 GLU  HN      2.7
        HN      90 GLU  HN      4.0
        HA      89 LEU  QB      3.8
        HA      89 LEU  QQD     4.7
        HN      89 LEU  QQD     5.1
        HN      89 LEU  HG      3.7
        HA      89 LEU  HG      3.7      
        HG      89 LEU  QQD     5.5
        QB      89 LEU  QQD     4.9
        HA      91 TYR  HN      4.0
        QQD     90 GLU  HN      6.2
90 GLU  
        HA      90 GLU  HN      3.2
        HN      90 GLU  QB      3.3
        HA      91 TYR  HN      3.2
        HN      91 TYR  HN      2.7
        QB      91 TYR  HN      5.7
        HA      90 GLU  QB      3.3
        HN      90 GLU  QG      5.0
        HA      90 GLU  QG      4.2
        HA      91 TYR  CG1     6.0
        QB      91 TYR  CG1     6.6
        QG      91 TYR  HN      4.2
        HN      91 TYR  CG1     5.2
91 TYR
        HA      91 TYR  HN      3.2
        HN      91 TYR  QB      4.4
        HA      92 SER  HN      4.0
        QB      92 SER  HN      4.2
        HA      91 TYR  QB      3.6
        HA      91 TYR  CZ4     6.0
        QB      91 TYR  CZ4     5.0
        CG1     92 SER  HN      6.0
        CG1     93 ASN  HN      6.0
        OH      92 SER  QB      4.2
        OH      94 PHE  HN      4.0
92 SER
        HA      92 SER  HN      3.2
        HA      92 SER  QB      3.3
        HN      92 SER  QB      4.6
        HN      93 ASN  HN      2.7
        QB      93 ASN  HN      4.2
        HA      94 PHE  HA      4.0
93 ASN
        HA      93 ASN  HN      4.0
        HN      94 PHE  HN      2.7
        QB      94 PHE  HN      4.2
        HA      93 ASN  QB      3.8
94 PHE
        HN      94 PHE  HA      4.0
        HN      94 PHE  QB      4.4
        HN      95 SER  HN      4.0
        HA      95 SER  HN      2.7
        QB      95 SER  HN      5.0
        QB      94 PHE  HA      3.6
        HN      94 PHE  CG1     6.0
        HA      94 PHE  CG1     3.7
        QB      94 PHE  CZ4     5.6
95 SER
        HN      95 SER  QB      3.8
        HA      96 VAL  HN      2.7
        QB      96 VAL  HN      3.3
        QB      95 SER  HA      3.3
        HA      96 VAL  QQG     5.6
96 VAL
        HN      96 VAL  HB      2.7
        HA      97 ARG  HN      2.7
        HN      96 VAL  QQG     5.5 
        QQG     97 ARG  HN      5.1
        HB      98 TYR  CZ4     6.0
        QQG     98 TYR  CZ4     7.6        
97 ARG
        HN      97 ARG  QB      3.3
        CZ      97 ARG  QB      7.1
        CZ      97 ARG  QD      4.2
        HA      97 ARG  QD      4.6
        HA      97 ARG  QG      3.8
        QD      97 ARG  QB      4.4
        QD      97 ARG  QG      4.4
        HA      98 TYR  HN      4.0
        HA      98 TYR  CG1     6.0
        HA      98 TYR  CZ4     6.0
98 TYR
        HA      98 TYR  HN      2.7
        HN      98 TYR  QB      3.3     
  Entry H atom name         Orig H atom name
 Raw file had 221 H/Q atoms
  Start of MODEL    1
    1   1H    SER   1           H1       SER   1  13.470   8.610 -13.210
    2   2H    SER   1           H2       SER   1  14.870   8.780 -14.010
    3   3H    SER   1           H3       SER   1  13.560   9.680 -14.440
    4    HG   SER   1           HG       SER   1  15.840   7.720 -15.790
    5    H    THR   2           H        THR   2  12.950   5.600 -16.270
    6    HG1  THR   2           HG1      THR   2  13.430   3.230 -18.390
    7    H    ALA   3           H        ALA   3  15.720   4.710 -16.100
    8    NH1  ARG   4           NH2      ARG   4  18.010   8.020 -15.060
    9    NH2  ARG   4           NH1      ARG   4  16.650   9.720 -14.340
   10    H    ARG   4           H        ARG   4  16.080   4.870 -13.180
   11    HE   ARG   4           HE       ARG   4  17.300   8.980 -12.070
   12   1HH1  ARG   4           HH2      ARG   4  18.680   7.310 -14.850
   13   2HH1  ARG   4           HH2      ARG   4  17.850   8.290 -16.010
   14   1HH2  ARG   4           HH1      ARG   4  16.340  10.320 -13.610
   15   2HH2  ARG   4           HH1      ARG   4  16.490   9.970 -15.300
   16    H    LEU   6           H        LEU   6  14.150   3.350  -9.180
   17    H    LYS   7           H        LYS   7  11.210   2.490  -6.340
   18   1HZ   LYS   7           HZ1      LYS   7   9.210  -3.800  -9.870
   19   2HZ   LYS   7           HZ2      LYS   7   7.640  -3.620  -9.490
   20   3HZ   LYS   7           HZ3      LYS   7   8.100  -3.780 -11.060
   21    H    SER   8           H        SER   8   8.280   4.040  -8.860
   22    HG   SER   8           HG       SER   8   6.550   5.130  -9.990
   23    H    VAL   9           H        VAL   9   5.350   2.750  -6.150
   24    H    ASP  10           H        ASP  10   1.610   1.060  -7.810
   25    OH   TYR  11           OH       TYR  11  -1.850   3.810   0.970
   26    H    TYR  11           H        TYR  11  -1.100   1.740  -4.330
   27    HH   TYR  11           HH       TYR  11  -1.280   4.590   0.690
   28    H    GLU  12           H        GLU  12  -3.670  -1.910  -3.820
   29    H    VAL  13           H        VAL  13  -6.060  -0.560  -0.910
   30    H    PHE  14           H        PHE  14  -8.370  -4.260  -0.260
   31    H    GLY  15           H        GLY  15 -10.760  -1.700   0.820
   32    NH1  ARG  16           NH2      ARG  16 -12.170  -7.900   0.400
   33    NH2  ARG  16           NH1      ARG  16 -13.140  -9.100  -1.270
   34    H    ARG  16           H        ARG  16 -13.820  -3.850   1.500
   35    HE   ARG  16           HE       ARG  16 -14.840  -7.280  -1.280
   36   1HH1  ARG  16           HH2      ARG  16 -12.080  -7.030   0.890
   37   2HH1  ARG  16           HH2      ARG  16 -11.450  -8.590   0.470
   38   1HH2  ARG  16           HH1      ARG  16 -13.820  -9.210  -2.000
   39   2HH2  ARG  16           HH1      ARG  16 -12.380  -9.760  -1.190
   40    H    VAL  17           H        VAL  17 -16.460  -2.570   3.320
   41    H    GLN  18           H        GLN  18 -15.450   0.520   3.130
   42   1HE2  GLN  18           HE2      GLN  18 -15.600   7.070   4.790
   43   2HE2  GLN  18           HE2      GLN  18 -16.020   6.050   3.430
   44    H    GLY  19           H        GLY  19 -14.480   1.940   7.460
   45    H    VAL  20           H        VAL  20 -11.950  -0.160   6.620
   46    H    CYS  21           H        CYS  21  -8.720  -0.140   9.450
   47    HG   CYS  21           HG       CYS  21 -10.370   1.330  10.880
   48    H    PHE  22           H        PHE  22  -6.660   2.020   7.610
   49    NH1  ARG  23           NH1      ARG  23  -5.380  10.220   8.320
   50    NH2  ARG  23           NH2      ARG  23  -3.630  10.570   9.760
   51    H    ARG  23           H        ARG  23  -5.130   3.970   8.380
   52    HE   ARG  23           HE       ARG  23  -2.660   8.530   8.730
   53   1HH1  ARG  23           HH1      ARG  23  -5.910   9.600   7.740
   54   2HH1  ARG  23           HH1      ARG  23  -5.770  11.090   8.610
   55   1HH2  ARG  23           HH2      ARG  23  -2.810  10.250  10.240
   56   2HH2  ARG  23           HH2      ARG  23  -4.070  11.430  10.030
   57    H    MET  24           H        MET  24  -1.520   6.270  10.020
   58    OH   TYR  25           OH       TYR  25   0.820  -4.640   9.150
   59    H    TYR  25           H        TYR  25  -1.130   2.800  11.330
   60    HH   TYR  25           HH       TYR  25   0.580  -4.850   8.200
   61    H    ALA  26           H        ALA  26  -0.300   2.240   8.500
   62    H    GLU  27           H        GLU  27   1.250   4.980   7.890
   63    H    ASP  28           H        ASP  28   3.370   4.680  10.340
   64    H    GLU  29           H        GLU  29   4.610   2.180   9.960
   65    H    ALA  30           H        ALA  30   5.370   2.400   7.430
   66    NH1  ARG  31           NH1      ARG  31   9.830   8.420  13.280
   67    NH2  ARG  31           NH2      ARG  31  12.040   7.800  13.330
   68    H    ARG  31           H        ARG  31   7.220   4.560   7.440
   69    HE   ARG  31           HE       ARG  31  11.720   7.280  10.910
   70   1HH1  ARG  31           HH1      ARG  31   8.950   8.450  12.810
   71   2HH1  ARG  31           HH1      ARG  31   9.920   8.740  14.220
   72   1HH2  ARG  31           HH2      ARG  31  12.810   7.300  12.950
   73   2HH2  ARG  31           HH2      ARG  31  12.080   8.150  14.270
   74    H    LYS  32           H        LYS  32   9.240   3.040   9.080
   75   1HZ   LYS  32           HZ3      LYS  32   9.010   4.330  12.130
   76   2HZ   LYS  32           HZ1      LYS  32   9.370   5.220  13.450
   77   3HZ   LYS  32           HZ2      LYS  32  10.330   5.300  12.150
   78    H    ILE  33           H        ILE  33   9.790   0.920   7.160
   79    H    GLY  34           H        GLY  34  11.280   2.710   5.600
   80    H    VAL  35           H        VAL  35  10.060   3.700   3.850
   81    H    VAL  36           H        VAL  36   8.590   5.690   0.180
   82    H    GLY  37           H        GLY  37   5.610   8.880   0.930
   83    CH2  TRP  38           CH2      TRP  38  -2.910  10.370  -4.060
   84    H    TRP  38           H        TRP  38   1.900   7.260  -0.470
   85    HE1  TRP  38           HE1      TRP  38   1.200  11.150  -3.970
   86    H    VAL  39           H        VAL  39  -1.490   8.560   1.970
   87    H    LYS  40           H        LYS  40  -4.530   6.310  -0.260
   88   1HZ   LYS  40           HZ3      LYS  40  -8.190  10.470  -4.300
   89   2HZ   LYS  40           HZ1      LYS  40  -7.250  10.600  -5.620
   90   3HZ   LYS  40           HZ2      LYS  40  -8.860  10.450  -5.800
   91    H    ASN  41           H        ASN  41  -7.710   8.940   0.650
   92   1HD2  ASN  41           HD2      ASN  41 -10.480  11.470   2.690
   93   2HD2  ASN  41           HD2      ASN  41 -11.320   9.980   3.070
   94    H    THR  42           H        THR  42 -10.790   5.920   0.090
   95    HG1  THR  42           HG1      THR  42 -12.180   3.830  -1.690
   96    H    SER  43           H        SER  43 -14.630   7.200  -1.860
   97    HG   SER  43           HG       SER  43 -17.350   6.300  -3.240
   98    H    LYS  44           H        LYS  44 -15.530   4.580  -1.350
   99   1HZ   LYS  44           HZ1      LYS  44 -21.500   1.300  -3.170
  100   2HZ   LYS  44           HZ2      LYS  44 -22.360   2.660  -3.400
  101   3HZ   LYS  44           HZ3      LYS  44 -20.980   2.400  -4.260
  102    H    GLY  45           H        GLY  45 -14.140   3.840   1.290
  103    H    THR  46           H        THR  46 -12.730   1.790  -0.680
  104    HG1  THR  46           HG1      THR  46 -12.160   2.540  -3.810
  105    H    VAL  47           H        VAL  47  -9.040   1.070   0.660
  106    H    THR  48           H        THR  48  -6.970   4.020  -1.260
  107    HG1  THR  48           HG1      THR  48  -4.770   2.720  -4.960
  108    H    GLY  49           H        GLY  49  -3.600   4.340  -3.960
  109    H    GLN  50           H        GLN  50   0.000   6.260  -2.210
  110   1HE2  GLN  50           HE2      GLN  50   0.080  10.060  -7.340
  111   2HE2  GLN  50           HE2      GLN  50  -0.610   8.450  -7.280
  112    H    VAL  51           H        VAL  51   3.000   3.820  -3.990
  113    H    GLN  52           H        GLN  52   6.320   5.520  -2.270
  114   1HE2  GLN  52           HE2      GLN  52  11.960   6.420  -5.950
  115   2HE2  GLN  52           HE2      GLN  52  11.090   7.930  -5.970
  116    H    GLY  53           H        GLY  53   9.830   3.850  -4.170
  117    H    GLU  55           H        GLU  55  14.820   0.590  -5.280
  118    H    GLU  56           H        GLU  56  15.760  -2.290  -3.330
  119    H    LYS  57           H        LYS  57  14.010  -1.180  -1.150
  120   1HZ   LYS  57           HZ2      LYS  57  15.450   1.940   3.960
  121   2HZ   LYS  57           HZ3      LYS  57  15.800   0.400   3.550
  122   3HZ   LYS  57           HZ1      LYS  57  17.000   1.440   3.900
  123    H    VAL  58           H        VAL  58  11.530  -0.850  -2.010
  124    H    ASN  59           H        ASN  59  11.000  -3.610  -2.650
  125   1HD2  ASN  59           HD2      ASN  59  12.740  -7.170  -5.140
  126   2HD2  ASN  59           HD2      ASN  59  12.520  -7.970  -3.600
  127    H    SER  60           H        SER  60  10.970  -4.620   0.180
  128    HG   SER  60           HG       SER  60  10.330  -5.570   4.320
  129    H    MET  61           H        MET  61   8.780  -3.050   1.140
  130    H    LYS  62           H        LYS  62   6.660  -4.190  -0.750
  131   1HZ   LYS  62           HZ3      LYS  62   6.360  -5.000  -7.150
  132   2HZ   LYS  62           HZ1      LYS  62   4.780  -5.400  -7.180
  133   3HZ   LYS  62           HZ2      LYS  62   5.250  -3.930  -7.720
  134    H    SER  63           H        SER  63   6.800  -6.900   0.390
  135    HG   SER  63           HG       SER  63   8.320  -8.410   0.450
  136    CH2  TRP  64           CH2      TRP  64   3.550  -0.090   6.300
  137    H    TRP  64           H        TRP  64   5.850  -6.220   2.950
  138    HE1  TRP  64           HE1      TRP  64   2.340  -3.610   8.230
  139    H    LEU  65           H        LEU  65   2.170  -4.750   4.960
  140    H    SER  66           H        SER  66   1.020  -6.760   2.370
  141    HG   SER  66           HG       SER  66   2.140  -8.940   1.380
  142    H    LYS  67           H        LYS  67   1.760  -8.660   4.140
  143   1HZ   LYS  67           HZ3      LYS  67   5.410  -7.650   9.060
  144   2HZ   LYS  67           HZ1      LYS  67   4.660  -6.390   9.760
  145   3HZ   LYS  67           HZ2      LYS  67   5.580  -7.380  10.670
  146    H    VAL  68           H        VAL  68  -0.890  -9.190   7.340
  147    H    GLY  69           H        GLY  69  -0.540  -5.900   9.560
  148    H    SER  70           H        SER  70  -2.270  -5.110  13.690
  149    HG   SER  70           HG       SER  70  -6.650  -3.890  12.820
  150    H    SER  72           H        SER  72  -6.430  -2.130  14.320
  151    HG   SER  72           HG       SER  72  -8.300   0.830  16.030
  152    H    SER  73           H        SER  73  -8.490  -1.720  12.400
  153    HG   SER  73           HG       SER  73 -10.310  -0.950  10.150
  154    NH1  ARG  74           NH2      ARG  74 -11.570  -6.480  11.960
  155    NH2  ARG  74           NH1      ARG  74 -12.930  -4.810  11.170
  156    H    ARG  74           H        ARG  74 -10.040  -5.510  10.500
  157    HE   ARG  74           HE       ARG  74 -12.520  -5.840   8.940
  158   1HH1  ARG  74           HH2      ARG  74 -11.090  -7.340  11.820
  159   2HH1  ARG  74           HH2      ARG  74 -11.660  -6.100  12.880
  160   1HH2  ARG  74           HH1      ARG  74 -13.440  -4.360  10.440
  161   2HH2  ARG  74           HH1      ARG  74 -13.000  -4.470  12.110
  162    H    ILE  75           H        ILE  75  -6.170  -5.350   8.180
  163    H    ASP  76           H        ASP  76  -8.820  -4.840   5.140
  164    NH1  ARG  77           NH1      ARG  77  -4.900 -10.570   1.070
  165    NH2  ARG  77           NH2      ARG  77  -3.210  -9.140   0.480
  166    H    ARG  77           H        ARG  77  -6.890  -7.590   3.020
  167    HE   ARG  77           HE       ARG  77  -4.500  -8.840  -1.630
  168   1HH1  ARG  77           HH1      ARG  77  -5.800 -10.970   0.900
  169   2HH1  ARG  77           HH1      ARG  77  -4.380 -10.820   1.890
  170   1HH2  ARG  77           HH2      ARG  77  -2.760  -8.540  -0.180
  171   2HH2  ARG  77           HH2      ARG  77  -2.760  -9.380   1.340
  172    H    THR  78           H        THR  78  -4.500  -7.310   0.430
  173    HG1  THR  78           HG1      THR  78  -3.130  -4.690   2.330
  174    H    ASN  79           H        ASN  79  -4.600  -4.770  -2.890
  175   1HD2  ASN  79           HD2      ASN  79  -3.880  -7.620  -7.980
  176   2HD2  ASN  79           HD2      ASN  79  -4.440  -8.130  -6.400
  177    H    PHE  80           H        PHE  80  -1.250  -6.080  -5.600
  178    H    SER  81           H        SER  81  -0.980  -2.390  -7.360
  179    HG   SER  81           HG       SER  81  -3.610  -2.960  -8.790
  180    H    ASN  82           H        ASN  82  -0.200  -2.010 -11.630
  181   1HD2  ASN  82           HD2      ASN  82  -3.450   0.550 -12.000
  182   2HD2  ASN  82           HD2      ASN  82  -2.530   0.140 -10.570
  183    H    GLU  83           H        GLU  83   2.760  -0.920 -12.370
  184    H    LYS  84           H        LYS  84   5.520   1.790 -10.850
  185   1HZ   LYS  84           HZ3      LYS  84   2.190   3.920 -11.390
  186   2HZ   LYS  84           HZ1      LYS  84   1.080   5.090 -11.190
  187   3HZ   LYS  84           HZ2      LYS  84   1.340   4.480 -12.680
  188    H    THR  85           H        THR  85   8.960   1.690 -13.000
  189    HG1  THR  85           HG1      THR  85  11.160   2.200 -14.350
  190    H    ILE  86           H        ILE  86  10.940   4.850 -10.490
  191    H    SER  87           H        SER  87  11.780   8.960 -10.660
  192    HG   SER  87           HG       SER  87  16.240   8.720 -10.390
  193    H    LYS  88           H        LYS  88  14.960   9.150  -7.730
  194   1HZ   LYS  88           HZ2      LYS  88  18.280  12.410  -9.510
  195   2HZ   LYS  88           HZ3      LYS  88  17.060  11.520 -10.150
  196   3HZ   LYS  88           HZ1      LYS  88  17.270  13.070 -10.610
  197    H    LEU  89           H        LEU  89  13.440  10.880  -3.980
  198    H    GLU  90           H        GLU  90   9.400  11.090  -4.770
  199    OH   TYR  91           OH       TYR  91   2.170  12.540  -4.970
  200    H    TYR  91           H        TYR  91   8.970  12.600  -1.780
  201    HH   TYR  91           HH       TYR  91   2.300  11.770  -5.600
  202    H    SER  92           H        SER  92   6.550  14.530   1.160
  203    HG   SER  92           HG       SER  92   5.310  14.880   3.480
  204    H    ASN  93           H        ASN  93   8.740  11.650   2.850
  205   1HD2  ASN  93           HD2      ASN  93  10.310   8.900   7.040
  206   2HD2  ASN  93           HD2      ASN  93   8.630   8.390   7.040
  207    H    PHE  94           H        PHE  94   6.830   7.790   4.150
  208    H    SER  95           H        SER  95   2.760   9.190   3.310
  209    HG   SER  95           HG       SER  95   1.480  11.860   2.480
  210    H    VAL  96           H        VAL  96  -0.110  11.320   4.580
  211    NH1  ARG  97           NH1      ARG  97 -10.050  10.160   8.180
  212    NH2  ARG  97           NH2      ARG  97  -9.730  12.310   8.900
  213    H    ARG  97           H        ARG  97  -4.260  10.550   5.760
  214    HE   ARG  97           HE       ARG  97  -8.530  12.620   6.720
  215   1HH1  ARG  97           HH1      ARG  97  -9.880   9.430   7.510
  216   2HH1  ARG  97           HH1      ARG  97 -10.600   9.980   8.990
  217   1HH2  ARG  97           HH2      ARG  97  -9.300  13.210   8.820
  218   2HH2  ARG  97           HH2      ARG  97 -10.290  12.090   9.700
  219    OH   TYR  98           OH       TYR  98   1.130  13.220   1.500
  220    H    TYR  98           H        TYR  98  -4.860  10.610   1.350
  221    HH   TYR  98           HH       TYR  98   1.700  13.470   0.710
   
 Raw file had 221 H/Q atoms
  Start of MODEL    2
    1   1H    SER   1           H3       SER   1   5.740  -3.070 -17.460
    2   2H    SER   1           H1       SER   1   5.340  -3.910 -16.130
    3   3H    SER   1           H2       SER   1   4.170  -3.310 -17.070
    4    HG   SER   1           HG       SER   1   4.490  -0.270 -14.090
    5    H    THR   2           H        THR   2   7.010  -0.970 -17.130
    6    HG1  THR   2           HG1      THR   2   7.850   0.130 -13.760
    7    H    ALA   3           H        ALA   3   8.400  -2.500 -14.080
    8    NH1  ARG   4           NH2      ARG   4  15.210  -5.830 -15.890
    9    NH2  ARG   4           NH1      ARG   4  17.390  -5.140 -15.800
   10    H    ARG   4           H        ARG   4  11.860  -2.560 -14.470
   11    HE   ARG   4           HE       ARG   4  16.440  -2.840 -16.010
   12   1HH1  ARG   4           HH2      ARG   4  14.240  -5.620 -15.980
   13   2HH1  ARG   4           HH2      ARG   4  15.520  -6.780 -15.810
   14   1HH2  ARG   4           HH1      ARG   4  18.100  -4.430 -15.820
   15   2HH2  ARG   4           HH1      ARG   4  17.660  -6.110 -15.710
   16    H    LEU   6           H        LEU   6  13.010  -1.130  -9.690
   17    H    LYS   7           H        LYS   7  11.480  -0.660  -7.860
   18   1HZ   LYS   7           HZ1      LYS   7   9.200  -5.850 -10.780
   19   2HZ   LYS   7           HZ2      LYS   7   9.000  -6.390  -9.260
   20   3HZ   LYS   7           HZ3      LYS   7   7.700  -6.100 -10.220
   21    H    SER   8           H        SER   8   9.080   2.370  -8.810
   22    HG   SER   8           HG       SER   8   7.090   5.100  -5.900
   23    H    VAL   9           H        VAL   9   5.850   1.730  -5.660
   24    H    ASP  10           H        ASP  10   1.870   1.210  -7.430
   25    OH   TYR  11           OH       TYR  11  -0.320   3.580   1.570
   26    H    TYR  11           H        TYR  11  -0.380   1.950  -3.830
   27    HH   TYR  11           HH       TYR  11   0.480   4.160   1.410
   28    H    GLU  12           H        GLU  12  -3.400  -1.040  -4.620
   29    H    VAL  13           H        VAL  13  -5.750   0.120  -1.240
   30    H    PHE  14           H        PHE  14  -6.740  -4.100  -0.280
   31    H    GLY  15           H        GLY  15 -10.640  -5.200   1.460
   32    NH1  ARG  16           NH2      ARG  16 -10.610 -12.440   2.910
   33    NH2  ARG  16           NH1      ARG  16  -8.610 -12.930   3.910
   34    H    ARG  16           H        ARG  16 -10.490  -6.840   5.310
   35    HE   ARG  16           HE       ARG  16  -9.290 -11.240   5.600
   36   1HH1  ARG  16           HH2      ARG  16 -11.460 -11.930   2.880
   37   2HH1  ARG  16           HH2      ARG  16 -10.400 -13.110   2.200
   38   1HH2  ARG  16           HH1      ARG  16  -7.940 -12.810   4.640
   39   2HH2  ARG  16           HH1      ARG  16  -8.440 -13.590   3.180
   40    H    VAL  17           H        VAL  17 -11.850  -6.100   7.480
   41    H    GLN  18           H        GLN  18 -15.330  -3.340   7.370
   42   1HE2  GLN  18           HE2      GLN  18 -14.090  -3.510   2.670
   43   2HE2  GLN  18           HE2      GLN  18 -14.710  -4.320   4.080
   44    H    GLY  19           H        GLY  19 -13.080   0.130   5.410
   45    H    VAL  20           H        VAL  20 -10.730   2.140   5.420
   46    H    CYS  21           H        CYS  21  -8.840   3.980   7.830
   47    HG   CYS  21           HG       CYS  21  -7.010   3.660  12.400
   48    H    PHE  22           H        PHE  22  -6.080   2.000   8.710
   49    NH1  ARG  23           NH1      ARG  23  -3.080  11.010  10.100
   50    NH2  ARG  23           NH2      ARG  23  -5.300  11.550  10.090
   51    H    ARG  23           H        ARG  23  -4.510   4.950   9.450
   52    HE   ARG  23           HE       ARG  23  -5.390  10.200   8.000
   53   1HH1  ARG  23           HH1      ARG  23  -2.280  10.600   9.650
   54   2HH1  ARG  23           HH1      ARG  23  -2.960  11.540  10.940
   55   1HH2  ARG  23           HH2      ARG  23  -6.200  11.570   9.650
   56   2HH2  ARG  23           HH2      ARG  23  -5.150  12.080  10.930
   57    H    MET  24           H        MET  24  -2.630   7.240  10.630
   58    OH   TYR  25           OH       TYR  25   0.180  -2.720  10.040
   59    H    TYR  25           H        TYR  25  -1.040   4.820  11.640
   60    HH   TYR  25           HH       TYR  25  -0.070  -3.260  10.840
   61    H    ALA  26           H        ALA  26   0.020   3.490   9.030
   62    H    GLU  27           H        GLU  27   1.410   5.780   8.070
   63    H    ASP  28           H        ASP  28   3.330   6.590  10.040
   64    H    GLU  29           H        GLU  29   4.820   4.170  10.290
   65    H    ALA  30           H        ALA  30   5.800   3.660   7.640
   66    NH1  ARG  31           NH1      ARG  31   7.080  12.690   6.590
   67    NH2  ARG  31           NH2      ARG  31   5.000  12.330   5.680
   68    H    ARG  31           H        ARG  31   7.420   6.040   7.110
   69    HE   ARG  31           HE       ARG  31   5.200  10.060   6.660
   70   1HH1  ARG  31           HH1      ARG  31   7.850  12.390   7.140
   71   2HH1  ARG  31           HH1      ARG  31   7.060  13.630   6.220
   72   1HH2  ARG  31           HH2      ARG  31   4.200  11.750   5.550
   73   2HH2  ARG  31           HH2      ARG  31   5.020  13.260   5.330
   74    H    LYS  32           H        LYS  32   9.490   5.740   9.130
   75   1HZ   LYS  32           HZ1      LYS  32   7.230   6.750  12.600
   76   2HZ   LYS  32           HZ2      LYS  32   7.450   8.040  13.570
   77   3HZ   LYS  32           HZ3      LYS  32   8.390   7.820  12.250
   78    H    ILE  33           H        ILE  33  10.550   3.400   8.100
   79    H    GLY  34           H        GLY  34  12.520   4.290   6.170
   80    H    VAL  35           H        VAL  35  10.590   3.910   4.230
   81    H    VAL  36           H        VAL  36   9.330   5.000   0.310
   82    H    GLY  37           H        GLY  37   6.670   8.610   0.570
   83    CH2  TRP  38           CH2      TRP  38  -1.410   8.130  -5.120
   84    H    TRP  38           H        TRP  38   3.090   7.340  -0.710
   85    HE1  TRP  38           HE1      TRP  38   2.500   9.610  -5.330
   86    H    VAL  39           H        VAL  39  -0.200   9.150   1.500
   87    H    LYS  40           H        LYS  40  -3.560   7.190  -0.510
   88   1HZ   LYS  40           HZ1      LYS  40  -6.510  10.100  -6.570
   89   2HZ   LYS  40           HZ2      LYS  40  -7.600   9.050  -5.990
   90   3HZ   LYS  40           HZ3      LYS  40  -8.070  10.550  -6.450
   91    H    ASN  41           H        ASN  41  -7.070   9.670   0.300
   92   1HD2  ASN  41           HD2      ASN  41 -10.300  11.830   1.500
   93   2HD2  ASN  41           HD2      ASN  41 -11.260  10.380   1.380
   94    H    THR  42           H        THR  42 -10.060   6.620  -1.070
   95    HG1  THR  42           HG1      THR  42 -11.680   4.510  -1.570
   96    H    SER  43           H        SER  43 -11.230   9.690  -1.780
   97    HG   SER  43           HG       SER  43 -14.890   8.830  -2.480
   98    H    LYS  44           H        LYS  44 -13.720   7.310  -0.720
   99   1HZ   LYS  44           HZ2      LYS  44 -20.500   7.150   0.550
  100   2HZ   LYS  44           HZ3      LYS  44 -20.810   7.250   2.160
  101   3HZ   LYS  44           HZ1      LYS  44 -20.740   8.600   1.250
  102    H    GLY  45           H        GLY  45 -13.620   5.800   3.290
  103    H    THR  46           H        THR  46 -12.330   3.430   0.690
  104    HG1  THR  46           HG1      THR  46 -11.640   2.310  -2.220
  105    H    VAL  47           H        VAL  47  -7.960   2.060   0.700
  106    H    THR  48           H        THR  48  -6.360   5.090  -1.820
  107    HG1  THR  48           HG1      THR  48  -5.790   6.440  -3.720
  108    H    GLY  49           H        GLY  49  -2.610   3.400  -2.260
  109    H    GLN  50           H        GLN  50   1.040   5.830  -1.600
  110   1HE2  GLN  50           HE2      GLN  50   3.170   7.920  -7.610
  111   2HE2  GLN  50           HE2      GLN  50   1.980   6.820  -6.940
  112    H    VAL  51           H        VAL  51   3.760   3.040  -3.320
  113    H    GLN  52           H        GLN  52   7.340   4.510  -1.930
  114   1HE2  GLN  52           HE2      GLN  52  13.450   2.710  -1.660
  115   2HE2  GLN  52           HE2      GLN  52  12.410   3.070  -0.310
  116    H    GLY  53           H        GLY  53  10.410   3.610  -5.190
  117    H    GLU  55           H        GLU  55  12.890  -1.460  -3.540
  118    H    GLU  56           H        GLU  56  14.040  -5.170  -3.760
  119    H    LYS  57           H        LYS  57  15.990  -4.170  -0.080
  120   1HZ   LYS  57           HZ1      LYS  57  15.360   1.370   4.130
  121   2HZ   LYS  57           HZ2      LYS  57  16.090   1.280   2.670
  122   3HZ   LYS  57           HZ3      LYS  57  14.530   1.760   2.800
  123    H    VAL  58           H        VAL  58  13.610  -2.480   0.050
  124    H    ASN  59           H        ASN  59  11.690  -4.400  -0.790
  125   1HD2  ASN  59           HD2      ASN  59  10.140  -5.770  -4.840
  126   2HD2  ASN  59           HD2      ASN  59   9.020  -6.480  -3.720
  127    H    SER  60           H        SER  60  10.950  -5.810   1.630
  128    HG   SER  60           HG       SER  60  11.690  -5.170   3.930
  129    H    MET  61           H        MET  61   9.200  -4.190   2.910
  130    H    LYS  62           H        LYS  62   6.950  -4.490   1.340
  131   1HZ   LYS  62           HZ2      LYS  62   5.170  -5.670  -4.810
  132   2HZ   LYS  62           HZ3      LYS  62   6.410  -4.680  -5.170
  133   3HZ   LYS  62           HZ1      LYS  62   6.650  -6.290  -5.070
  134    H    SER  63           H        SER  63   5.790  -6.980   2.090
  135    HG   SER  63           HG       SER  63   6.980  -9.740   2.970
  136    CH2  TRP  64           CH2      TRP  64   4.330   0.540   6.710
  137    H    TRP  64           H        TRP  64   4.850  -6.280   4.810
  138    HE1  TRP  64           HE1      TRP  64   1.550  -1.880   8.760
  139    H    LEU  65           H        LEU  65   3.050  -3.980   4.100
  140    H    SER  66           H        SER  66   1.140  -5.880   2.840
  141    HG   SER  66           HG       SER  66   1.560  -7.840   1.750
  142    H    LYS  67           H        LYS  67   0.160  -7.810   4.170
  143   1HZ   LYS  67           HZ2      LYS  67   1.560 -13.720   4.500
  144   2HZ   LYS  67           HZ3      LYS  67   0.980 -12.760   3.310
  145   3HZ   LYS  67           HZ1      LYS  67   2.380 -13.560   3.100
  146    H    VAL  68           H        VAL  68  -0.940  -6.470   6.420
  147    H    GLY  69           H        GLY  69  -4.470  -5.790   8.320
  148    H    SER  70           H        SER  70  -2.790  -3.030  10.570
  149    HG   SER  70           HG       SER  70  -1.280  -4.690  12.510
  150    H    SER  72           H        SER  72  -7.930  -1.870  12.870
  151    HG   SER  72           HG       SER  72 -11.110   0.300  10.990
  152    H    SER  73           H        SER  73  -9.580  -4.400  10.470
  153    HG   SER  73           HG       SER  73 -10.260  -7.520  10.380
  154    NH1  ARG  74           NH1      ARG  74 -12.760  -2.190   1.160
  155    NH2  ARG  74           NH2      ARG  74 -12.350  -4.400   1.080
  156    H    ARG  74           H        ARG  74  -8.750  -3.090   7.520
  157    HE   ARG  74           HE       ARG  74 -10.980  -3.950   3.210
  158   1HH1  ARG  74           HH1      ARG  74 -12.940  -1.390   1.730
  159   2HH1  ARG  74           HH1      ARG  74 -13.130  -2.240   0.230
  160   1HH2  ARG  74           HH2      ARG  74 -12.420  -5.240   1.610
  161   2HH2  ARG  74           HH2      ARG  74 -12.670  -4.400   0.130
  162    H    ILE  75           H        ILE  75  -6.920  -4.070   6.310
  163    H    ASP  76           H        ASP  76  -6.330  -6.150   3.020
  164    NH1  ARG  77           NH1      ARG  77  -7.820  -7.750  -5.310
  165    NH2  ARG  77           NH2      ARG  77  -6.980  -9.360  -6.710
  166    H    ARG  77           H        ARG  77  -6.570  -7.280   1.370
  167    HE   ARG  77           HE       ARG  77  -6.960 -10.800  -4.670
  168   1HH1  ARG  77           HH1      ARG  77  -8.280  -7.500  -4.460
  169   2HH1  ARG  77           HH1      ARG  77  -7.810  -7.110  -6.080
  170   1HH2  ARG  77           HH2      ARG  77  -6.670 -10.290  -6.900
  171   2HH2  ARG  77           HH2      ARG  77  -7.030  -8.690  -7.450
  172    H    THR  78           H        THR  78  -3.280  -6.930  -0.230
  173    HG1  THR  78           HG1      THR  78  -3.110  -3.990   1.710
  174    H    ASN  79           H        ASN  79  -4.090  -3.880  -3.310
  175   1HD2  ASN  79           HD2      ASN  79  -6.250  -6.720  -4.690
  176   2HD2  ASN  79           HD2      ASN  79  -5.420  -5.540  -3.710
  177    H    PHE  80           H        PHE  80  -0.550  -4.960  -4.700
  178    H    SER  81           H        SER  81  -0.240  -1.620  -7.090
  179    HG   SER  81           HG       SER  81  -2.060  -2.420 -11.370
  180    H    ASN  82           H        ASN  82   0.130  -0.640 -11.190
  181   1HD2  ASN  82           HD2      ASN  82   2.200   5.160 -10.760
  182   2HD2  ASN  82           HD2      ASN  82   2.500   3.750  -9.790
  183    H    GLU  83           H        GLU  83   3.210  -0.120 -12.220
  184    H    LYS  84           H        LYS  84   6.190   2.210 -10.590
  185   1HZ   LYS  84           HZ1      LYS  84   4.220   6.790 -12.900
  186   2HZ   LYS  84           HZ2      LYS  84   3.950   5.250 -12.440
  187   3HZ   LYS  84           HZ3      LYS  84   2.750   6.370 -12.370
  188    H    THR  85           H        THR  85   9.490   2.270 -13.200
  189    HG1  THR  85           HG1      THR  85  11.840   3.400 -14.470
  190    H    ILE  86           H        ILE  86  11.430   4.050  -9.800
  191    H    SER  87           H        SER  87  13.460   6.410 -11.940
  192    HG   SER  87           HG       SER  87  15.480   6.480 -14.480
  193    H    LYS  88           H        LYS  88  13.910   9.120 -10.630
  194   1HZ   LYS  88           HZ2      LYS  88  14.900  14.260  -6.590
  195   2HZ   LYS  88           HZ3      LYS  88  15.200  15.860  -6.490
  196   3HZ   LYS  88           HZ1      LYS  88  13.830  15.340  -7.190
  197    H    LEU  89           H        LEU  89  15.270   8.980  -6.840
  198    H    GLU  90           H        GLU  90  11.740  10.590  -6.550
  199    OH   TYR  91           OH       TYR  91   7.670   6.830  -5.240
  200    H    TYR  91           H        TYR  91  11.610  11.680  -3.290
  201    HH   TYR  91           HH       TYR  91   6.790   6.950  -5.700
  202    H    SER  92           H        SER  92  10.290  13.150   0.110
  203    HG   SER  92           HG       SER  92  12.010  14.150   2.190
  204    H    ASN  93           H        ASN  93   9.160  10.600   1.630
  205   1HD2  ASN  93           HD2      ASN  93   6.300  13.120  -0.310
  206   2HD2  ASN  93           HD2      ASN  93   5.760  11.960   0.870
  207    H    PHE  94           H        PHE  94   6.660   9.770   4.700
  208    H    SER  95           H        SER  95   3.470   9.950   2.190
  209    HG   SER  95           HG       SER  95   1.910  14.070   2.330
  210    H    VAL  96           H        VAL  96   0.960  12.970   4.330
  211    NH1  ARG  97           NH1      ARG  97  -7.500   9.050   7.480
  212    NH2  ARG  97           NH2      ARG  97  -8.840  10.820   6.910
  213    H    ARG  97           H        ARG  97  -3.030  10.850   5.190
  214    HE   ARG  97           HE       ARG  97  -8.370  10.150   4.570
  215   1HH1  ARG  97           HH1      ARG  97  -6.920   8.280   7.210
  216   2HH1  ARG  97           HH1      ARG  97  -7.650   9.270   8.450
  217   1HH2  ARG  97           HH2      ARG  97  -9.260  11.420   6.230
  218   2HH2  ARG  97           HH2      ARG  97  -8.980  11.010   7.890
  219    OH   TYR  98           OH       TYR  98   0.820  14.370   0.820
  220    H    TYR  98           H        TYR  98  -4.030  11.510   1.100
  221    HH   TYR  98           HH       TYR  98   0.930  15.370   0.770
   
 Raw file had 221 H/Q atoms
  Start of MODEL    3
    1   1H    SER   1           H3       SER   1   8.890  -4.750 -15.500
    2   2H    SER   1           H1       SER   1   7.520  -4.480 -14.660
    3   3H    SER   1           H2       SER   1   7.690  -3.830 -16.140
    4    HG   SER   1           HG       SER   1  10.480  -2.300 -11.960
    5    H    THR   2           H        THR   2   8.940  -0.440 -15.190
    6    HG1  THR   2           HG1      THR   2   9.370   1.820 -14.540
    7    H    ALA   3           H        ALA   3  12.120  -1.650 -15.060
    8    NH1  ARG   4           NH2      ARG   4  12.180   7.700 -14.030
    9    NH2  ARG   4           NH1      ARG   4  10.400   6.330 -14.440
   10    H    ARG   4           H        ARG   4  13.540   1.510 -13.750
   11    HE   ARG   4           HE       ARG   4  12.060   4.490 -14.320
   12   1HH1  ARG   4           HH2      ARG   4  13.160   7.840 -13.890
   13   2HH1  ARG   4           HH2      ARG   4  11.550   8.480 -14.030
   14   1HH2  ARG   4           HH1      ARG   4  10.010   5.410 -14.450
   15   2HH2  ARG   4           HH1      ARG   4   9.800   7.130 -14.480
   16    H    LEU   6           H        LEU   6  14.040   3.310  -8.290
   17    H    LYS   7           H        LYS   7  11.380   1.610  -5.410
   18   1HZ   LYS   7           HZ2      LYS   7   6.680  -3.890  -5.370
   19   2HZ   LYS   7           HZ3      LYS   7   6.000  -4.350  -6.770
   20   3HZ   LYS   7           HZ1      LYS   7   7.620  -4.370  -6.620
   21    H    SER   8           H        SER   8   7.990   3.270  -7.810
   22    HG   SER   8           HG       SER   8   6.030   6.800  -5.690
   23    H    VAL   9           H        VAL   9   5.310   2.610  -4.910
   24    H    ASP  10           H        ASP  10   1.870   2.540  -7.350
   25    OH   TYR  11           OH       TYR  11  -2.110   4.040   1.030
   26    H    TYR  11           H        TYR  11  -0.390   2.090  -4.050
   27    HH   TYR  11           HH       TYR  11  -1.230   4.220   1.480
   28    H    GLU  12           H        GLU  12  -3.800  -0.990  -4.650
   29    H    VAL  13           H        VAL  13  -6.670   0.580  -2.130
   30    H    PHE  14           H        PHE  14  -7.520  -3.710  -1.070
   31    H    GLY  15           H        GLY  15 -10.700  -2.900   1.030
   32    NH1  ARG  16           NH2      ARG  16 -16.480 -10.050   3.630
   33    NH2  ARG  16           NH1      ARG  16 -18.520  -9.010   3.510
   34    H    ARG  16           H        ARG  16 -12.320  -5.730   2.800
   35    HE   ARG  16           HE       ARG  16 -17.430  -7.560   1.800
   36   1HH1  ARG  16           HH2      ARG  16 -15.550 -10.170   3.290
   37   2HH1  ARG  16           HH2      ARG  16 -16.860 -10.660   4.320
   38   1HH2  ARG  16           HH1      ARG  16 -19.140  -8.330   3.120
   39   2HH2  ARG  16           HH1      ARG  16 -18.850  -9.650   4.190
   40    H    VAL  17           H        VAL  17 -13.220  -5.800   5.750
   41    H    GLN  18           H        GLN  18 -13.710  -2.290   8.330
   42   1HE2  GLN  18           HE2      GLN  18 -10.840   1.250  11.660
   43   2HE2  GLN  18           HE2      GLN  18 -10.340   0.640  10.100
   44    H    GLY  19           H        GLY  19 -10.920  -2.840   6.700
   45    H    VAL  20           H        VAL  20 -11.280   0.270   5.020
   46    H    CYS  21           H        CYS  21  -8.220   1.930   6.250
   47    HG   CYS  21           HG       CYS  21  -6.630   3.220  10.340
   48    H    PHE  22           H        PHE  22  -6.440   1.640   8.560
   49    NH1  ARG  23           NH1      ARG  23  -6.340   9.670   7.020
   50    NH2  ARG  23           NH2      ARG  23  -8.030   8.160   6.730
   51    H    ARG  23           H        ARG  23  -4.510   4.550   7.750
   52    HE   ARG  23           HE       ARG  23  -6.230   6.490   6.470
   53   1HH1  ARG  23           HH1      ARG  23  -5.360   9.890   7.040
   54   2HH1  ARG  23           HH1      ARG  23  -7.030  10.380   7.160
   55   1HH2  ARG  23           HH2      ARG  23  -8.350   7.270   6.410
   56   2HH2  ARG  23           HH2      ARG  23  -8.690   8.890   6.900
   57    H    MET  24           H        MET  24  -3.330   5.430  11.300
   58    OH   TYR  25           OH       TYR  25   1.060  -4.550  11.360
   59    H    TYR  25           H        TYR  25  -1.710   2.890  11.740
   60    HH   TYR  25           HH       TYR  25   0.370  -5.140  10.930
   61    H    ALA  26           H        ALA  26  -0.290   2.420   9.350
   62    H    GLU  27           H        GLU  27   0.920   4.860   8.960
   63    H    ASP  28           H        ASP  28   2.650   5.270  11.290
   64    H    GLU  29           H        GLU  29   4.650   3.260  11.080
   65    H    ALA  30           H        ALA  30   5.550   3.670   8.580
   66    NH1  ARG  31           NH2      ARG  31   6.620  13.400   8.920
   67    NH2  ARG  31           NH1      ARG  31   8.880  13.290   9.310
   68    H    ARG  31           H        ARG  31   6.670   6.400   8.630
   69    HE   ARG  31           HE       ARG  31   8.440  10.930   9.930
   70   1HH1  ARG  31           HH2      ARG  31   5.740  12.940   8.820
   71   2HH1  ARG  31           HH2      ARG  31   6.720  14.360   8.660
   72   1HH2  ARG  31           HH1      ARG  31   9.700  12.780   9.530
   73   2HH2  ARG  31           HH1      ARG  31   8.940  14.260   9.050
   74    H    LYS  32           H        LYS  32   8.920   5.940  10.410
   75   1HZ   LYS  32           HZ3      LYS  32   7.650   3.440  15.660
   76   2HZ   LYS  32           HZ1      LYS  32   8.990   3.820  16.500
   77   3HZ   LYS  32           HZ2      LYS  32   7.610   4.630  16.790
   78    H    ILE  33           H        ILE  33  10.370   4.190   8.690
   79    H    GLY  34           H        GLY  34  11.110   5.880   6.820
   80    H    VAL  35           H        VAL  35   9.770   6.670   4.590
   81    H    VAL  36           H        VAL  36   8.030   6.220   0.800
   82    H    GLY  37           H        GLY  37   4.220   7.990   0.130
   83    CH2  TRP  38           CH2      TRP  38  -2.110  13.290  -4.660
   84    H    TRP  38           H        TRP  38   2.070   9.760  -0.770
   85    HE1  TRP  38           HE1      TRP  38   1.990  12.600  -4.160
   86    H    VAL  39           H        VAL  39  -1.940   9.980   1.210
   87    H    LYS  40           H        LYS  40  -4.210   8.250  -2.150
   88   1HZ   LYS  40           HZ2      LYS  40  -2.930   7.460  -6.240
   89   2HZ   LYS  40           HZ3      LYS  40  -2.840   8.050  -7.770
   90   3HZ   LYS  40           HZ1      LYS  40  -1.500   7.480  -7.020
   91    H    ASN  41           H        ASN  41  -7.770  10.700  -2.340
   92   1HD2  ASN  41           HD2      ASN  41 -10.130  12.170   1.010
   93   2HD2  ASN  41           HD2      ASN  41 -11.140  12.250  -0.410
   94    H    THR  42           H        THR  42 -10.790   7.210  -2.890
   95    HG1  THR  42           HG1      THR  42 -11.000   4.320  -4.550
   96    H    SER  43           H        SER  43 -13.530   7.680  -6.370
   97    HG   SER  43           HG       SER  43 -15.680   6.820  -8.550
   98    H    LYS  44           H        LYS  44 -13.880   5.160  -5.410
   99   1HZ   LYS  44           HZ2      LYS  44 -12.980   3.410 -10.990
  100   2HZ   LYS  44           HZ3      LYS  44 -11.620   3.990 -10.300
  101   3HZ   LYS  44           HZ1      LYS  44 -12.050   2.440 -10.080
  102    H    GLY  45           H        GLY  45 -14.310   4.620  -2.880
  103    H    THR  46           H        THR  46 -12.720   1.720  -3.350
  104    HG1  THR  46           HG1      THR  46 -11.640   0.930  -6.210
  105    H    VAL  47           H        VAL  47  -9.590   2.680  -1.240
  106    H    THR  48           H        THR  48  -6.610   5.710  -3.030
  107    HG1  THR  48           HG1      THR  48  -3.580   3.920  -5.910
  108    H    GLY  49           H        GLY  49  -2.580   3.910  -3.240
  109    H    GLN  50           H        GLN  50   0.270   7.100  -2.170
  110   1HE2  GLN  50           HE2      GLN  50   2.020  10.000  -7.640
  111   2HE2  GLN  50           HE2      GLN  50   2.060   8.260  -7.470
  112    H    VAL  51           H        VAL  51   2.730   4.180  -3.050
  113    H    GLN  52           H        GLN  52   5.920   6.180  -1.950
  114   1HE2  GLN  52           HE2      GLN  52  10.340   9.880  -5.900
  115   2HE2  GLN  52           HE2      GLN  52  10.410   8.210  -6.310
  116    H    GLY  53           H        GLY  53   9.270   3.800  -3.300
  117    H    GLU  55           H        GLU  55  12.720  -0.080  -1.260
  118    H    GLU  56           H        GLU  56  13.880  -3.610  -2.500
  119    H    LYS  57           H        LYS  57  16.250  -3.240   1.000
  120   1HZ   LYS  57           HZ1      LYS  57  17.500  -0.270   7.530
  121   2HZ   LYS  57           HZ2      LYS  57  17.500  -1.230   8.840
  122   3HZ   LYS  57           HZ3      LYS  57  18.590  -1.480   7.650
  123    H    VAL  58           H        VAL  58  13.940  -1.760   1.530
  124    H    ASN  59           H        ASN  59  12.230  -3.620   0.580
  125   1HD2  ASN  59           HD2      ASN  59  11.940  -5.690  -3.930
  126   2HD2  ASN  59           HD2      ASN  59  11.420  -6.900  -2.780
  127    H    SER  60           H        SER  60  10.970  -5.200   2.370
  128    HG   SER  60           HG       SER  60  12.190  -6.240   4.750
  129    H    MET  61           H        MET  61   8.990  -3.070   3.410
  130    H    LYS  62           H        LYS  62   7.010  -2.690   1.420
  131   1HZ   LYS  62           HZ3      LYS  62   8.070  -4.550  -4.740
  132   2HZ   LYS  62           HZ1      LYS  62   8.850  -3.780  -3.540
  133   3HZ   LYS  62           HZ2      LYS  62   9.090  -5.370  -3.740
  134    H    SER  63           H        SER  63   6.430  -5.520   1.180
  135    HG   SER  63           HG       SER  63   5.500  -9.570   2.100
  136    CH2  TRP  64           CH2      TRP  64   2.670  -0.860   7.640
  137    H    TRP  64           H        TRP  64   5.150  -5.930   3.770
  138    HE1  TRP  64           HE1      TRP  64   1.660  -4.470   9.510
  139    H    LEU  65           H        LEU  65   3.050  -4.190   3.660
  140    H    SER  66           H        SER  66   1.080  -5.670   2.080
  141    HG   SER  66           HG       SER  66   1.550  -8.570   1.400
  142    H    LYS  67           H        LYS  67  -0.330  -7.680   3.560
  143   1HZ   LYS  67           HZ3      LYS  67  -3.790 -10.730  -0.120
  144   2HZ   LYS  67           HZ1      LYS  67  -2.800  -9.440  -0.090
  145   3HZ   LYS  67           HZ2      LYS  67  -2.230 -10.870  -0.640
  146    H    VAL  68           H        VAL  68  -2.310  -6.020   5.580
  147    H    GLY  69           H        GLY  69  -3.360  -7.280   8.010
  148    H    SER  70           H        SER  70  -2.930  -6.430  11.780
  149    HG   SER  70           HG       SER  70  -6.700  -6.120  14.660
  150    H    SER  72           H        SER  72  -6.100  -1.660  14.130
  151    HG   SER  72           HG       SER  72  -4.810   1.500  12.110
  152    H    SER  73           H        SER  73  -6.540  -2.230  11.140
  153    HG   SER  73           HG       SER  73  -3.880  -2.090  10.260
  154    NH1  ARG  74           NH2      ARG  74 -11.190  -5.800  13.340
  155    NH2  ARG  74           NH1      ARG  74 -10.170  -7.500  14.470
  156    H    ARG  74           H        ARG  74  -5.700  -4.030   9.640
  157    HE   ARG  74           HE       ARG  74  -9.190  -8.090  12.260
  158   1HH1  ARG  74           HH2      ARG  74 -11.400  -5.330  12.480
  159   2HH1  ARG  74           HH2      ARG  74 -11.630  -5.510  14.190
  160   1HH2  ARG  74           HH1      ARG  74  -9.630  -8.340  14.490
  161   2HH2  ARG  74           HH1      ARG  74 -10.610  -7.170  15.310
  162    H    ILE  75           H        ILE  75  -7.680  -4.210   6.610
  163    H    ASP  76           H        ASP  76  -8.740  -6.400   3.460
  164    NH1  ARG  77           NH1      ARG  77  -8.270  -9.400  -4.680
  165    NH2  ARG  77           NH2      ARG  77  -7.920 -11.640  -4.310
  166    H    ARG  77           H        ARG  77  -7.400  -6.650   1.080
  167    HE   ARG  77           HE       ARG  77  -5.770 -10.890  -3.280
  168   1HH1  ARG  77           HH1      ARG  77  -7.940  -8.460  -4.670
  169   2HH1  ARG  77           HH1      ARG  77  -9.180  -9.620  -5.040
  170   1HH2  ARG  77           HH2      ARG  77  -7.320 -12.400  -4.070
  171   2HH2  ARG  77           HH2      ARG  77  -8.830 -11.810  -4.680
  172    H    THR  78           H        THR  78  -3.830  -5.830   0.560
  173    HG1  THR  78           HG1      THR  78  -3.090  -3.360   2.100
  174    H    ASN  79           H        ASN  79  -4.800  -3.900  -3.080
  175   1HD2  ASN  79           HD2      ASN  79  -5.750  -4.060  -8.580
  176   2HD2  ASN  79           HD2      ASN  79  -6.640  -3.730  -7.110
  177    H    PHE  80           H        PHE  80  -1.040  -5.050  -4.630
  178    H    SER  81           H        SER  81  -1.230  -1.980  -7.070
  179    HG   SER  81           HG       SER  81  -3.440  -0.450  -8.440
  180    H    ASN  82           H        ASN  82  -0.860   0.080  -8.920
  181   1HD2  ASN  82           HD2      ASN  82  -2.730   2.290 -12.550
  182   2HD2  ASN  82           HD2      ASN  82  -1.030   2.670 -12.710
  183    H    GLU  83           H        GLU  83   2.310  -0.760 -10.790
  184    H    LYS  84           H        LYS  84   4.800   2.190  -9.610
  185   1HZ   LYS  84           HZ2      LYS  84   0.920   6.510  -9.900
  186   2HZ   LYS  84           HZ3      LYS  84   1.170   7.350 -11.280
  187   3HZ   LYS  84           HZ1      LYS  84  -0.180   6.460 -11.100
  188    H    THR  85           H        THR  85   7.960   1.590 -11.990
  189    HG1  THR  85           HG1      THR  85   9.900  -0.260 -12.870
  190    H    ILE  86           H        ILE  86  10.790   3.990  -9.620
  191    H    SER  87           H        SER  87  13.350   6.940 -11.690
  192    HG   SER  87           HG       SER  87  14.890   9.030 -11.840
  193    H    LYS  88           H        LYS  88  14.970   6.470  -7.900
  194   1HZ   LYS  88           HZ2      LYS  88  20.310   9.710  -7.680
  195   2HZ   LYS  88           HZ3      LYS  88  20.910   9.310  -6.200
  196   3HZ   LYS  88           HZ1      LYS  88  21.590   8.710  -7.550
  197    H    LEU  89           H        LEU  89  15.460   8.550  -4.260
  198    H    GLU  90           H        GLU  90  11.460   9.990  -3.200
  199    OH   TYR  91           OH       TYR  91   4.280  12.990  -4.100
  200    H    TYR  91           H        TYR  91   9.770  10.370  -2.060
  201    HH   TYR  91           HH       TYR  91   3.980  12.380  -4.840
  202    H    SER  92           H        SER  92   9.940  11.390   1.910
  203    HG   SER  92           HG       SER  92  11.150  12.810   4.410
  204    H    ASN  93           H        ASN  93   7.660  10.390   3.240
  205   1HD2  ASN  93           HD2      ASN  93   7.490  14.170   3.700
  206   2HD2  ASN  93           HD2      ASN  93   8.640  12.910   4.130
  207    H    PHE  94           H        PHE  94   5.620   8.210   5.360
  208    H    SER  95           H        SER  95   1.890  10.380   4.050
  209    HG   SER  95           HG       SER  95   0.900  14.390   6.630
  210    H    VAL  96           H        VAL  96  -1.270  10.100   6.250
  211    NH1  ARG  97           NH1      ARG  97  -9.400   6.170   4.710
  212    NH2  ARG  97           NH2      ARG  97  -8.020   4.460   4.040
  213    H    ARG  97           H        ARG  97  -5.370  11.490   4.850
  214    HE   ARG  97           HE       ARG  97  -6.860   6.230   2.700
  215   1HH1  ARG  97           HH1      ARG  97  -9.720   7.110   4.610
  216   2HH1  ARG  97           HH1      ARG  97  -9.900   5.530   5.300
  217   1HH2  ARG  97           HH2      ARG  97  -7.280   4.100   3.470
  218   2HH2  ARG  97           HH2      ARG  97  -8.540   3.860   4.640
  219    OH   TYR  98           OH       TYR  98  -1.510  15.590   3.540
  220    H    TYR  98           H        TYR  98  -5.660  11.810   0.440
  221    HH   TYR  98           HH       TYR  98  -0.950  14.780   3.730
   
 Raw file had 221 H/Q atoms
  Start of MODEL    4
    1   1H    SER   1           H2       SER   1  13.620   9.070 -15.430
    2   2H    SER   1           H3       SER   1  14.520   9.260 -14.070
    3   3H    SER   1           H1       SER   1  15.060   9.840 -15.480
    4    HG   SER   1           HG       SER   1  16.340   7.450 -12.930
    5    H    THR   2           H        THR   2  13.980   6.190 -16.690
    6    HG1  THR   2           HG1      THR   2  12.910   4.190 -18.790
    7    H    ALA   3           H        ALA   3  15.540   3.920 -16.340
    8    NH1  ARG   4           NH2      ARG   4  19.850   4.760  -8.760
    9    NH2  ARG   4           NH1      ARG   4  20.270   3.150 -10.350
   10    H    ARG   4           H        ARG   4  14.760   2.250 -13.050
   11    HE   ARG   4           HE       ARG   4  18.310   4.120 -11.530
   12   1HH1  ARG   4           HH2      ARG   4  19.350   5.570  -8.470
   13   2HH1  ARG   4           HH2      ARG   4  20.640   4.420  -8.250
   14   1HH2  ARG   4           HH1      ARG   4  20.080   2.740 -11.250
   15   2HH2  ARG   4           HH1      ARG   4  21.050   2.850  -9.810
   16    H    LEU   6           H        LEU   6  13.640   2.380  -8.750
   17    H    LYS   7           H        LYS   7  10.810   1.880  -5.870
   18   1HZ   LYS   7           HZ1      LYS   7  11.230  -2.220  -9.810
   19   2HZ   LYS   7           HZ2      LYS   7  12.140  -3.580  -9.790
   20   3HZ   LYS   7           HZ3      LYS   7  10.530  -3.650  -9.500
   21    H    SER   8           H        SER   8   7.880   3.230  -8.560
   22    HG   SER   8           HG       SER   8   4.610   6.260  -7.580
   23    H    VAL   9           H        VAL   9   4.650   2.470  -6.000
   24    H    ASP  10           H        ASP  10   0.930   1.380  -8.210
   25    OH   TYR  11           OH       TYR  11  -1.390   4.860  -0.880
   26    H    TYR  11           H        TYR  11  -1.510   1.950  -4.620
   27    HH   TYR  11           HH       TYR  11  -2.320   5.130  -0.620
   28    H    GLU  12           H        GLU  12  -4.200  -1.630  -4.450
   29    H    VAL  13           H        VAL  13  -6.310   0.030  -1.790
   30    H    PHE  14           H        PHE  14  -8.190  -3.620  -0.540
   31    H    GLY  15           H        GLY  15 -10.390  -1.710   1.580
   32    NH1  ARG  16           NH2      ARG  16 -14.840  -6.610   1.470
   33    NH2  ARG  16           NH1      ARG  16 -12.550  -6.640   1.480
   34    H    ARG  16           H        ARG  16 -13.050  -3.570   2.290
   35    HE   ARG  16           HE       ARG  16 -12.750  -4.880  -0.270
   36   1HH1  ARG  16           HH2      ARG  16 -15.700  -6.270   1.100
   37   2HH1  ARG  16           HH2      ARG  16 -14.830  -7.370   2.120
   38   1HH2  ARG  16           HH1      ARG  16 -11.660  -6.280   1.210
   39   2HH2  ARG  16           HH1      ARG  16 -12.590  -7.430   2.090
   40    H    VAL  17           H        VAL  17 -14.350  -4.190   4.660
   41    H    GLN  18           H        GLN  18 -15.110  -1.210   6.280
   42   1HE2  GLN  18           HE2      GLN  18 -17.970   2.110  10.830
   43   2HE2  GLN  18           HE2      GLN  18 -17.710   1.850   9.120
   44    H    GLY  19           H        GLY  19 -12.870  -1.010  10.160
   45    H    VAL  20           H        VAL  20 -10.110  -0.210   7.790
   46    H    CYS  21           H        CYS  21  -7.210   1.770  10.200
   47    HG   CYS  21           HG       CYS  21  -6.990   5.510  13.280
   48    H    PHE  22           H        PHE  22  -6.240   3.840   7.590
   49    NH1  ARG  23           NH1      ARG  23  -4.990  12.730   7.790
   50    NH2  ARG  23           NH2      ARG  23  -3.570  12.950   9.580
   51    H    ARG  23           H        ARG  23  -4.660   6.170   7.930
   52    HE   ARG  23           HE       ARG  23  -3.050  10.560   9.190
   53   1HH1  ARG  23           HH1      ARG  23  -5.490  12.160   7.140
   54   2HH1  ARG  23           HH1      ARG  23  -5.180  13.710   7.850
   55   1HH2  ARG  23           HH2      ARG  23  -2.990  12.550  10.290
   56   2HH2  ARG  23           HH2      ARG  23  -3.800  13.930   9.600
   57    H    MET  24           H        MET  24  -2.900   5.760  10.770
   58    OH   TYR  25           OH       TYR  25  -2.230  -1.800  11.530
   59    H    TYR  25           H        TYR  25  -1.000   4.120   9.650
   60    HH   TYR  25           HH       TYR  25  -2.330  -2.590  10.920
   61    H    ALA  26           H        ALA  26  -0.010   4.870   7.400
   62    H    GLU  27           H        GLU  27   1.200   7.210   8.600
   63    H    ASP  28           H        ASP  28   2.960   6.540  11.090
   64    H    GLU  29           H        GLU  29   3.950   4.050  10.340
   65    H    ALA  30           H        ALA  30   4.780   4.120   7.920
   66    NH1  ARG  31           NH2      ARG  31   8.240   7.190  12.970
   67    NH2  ARG  31           NH1      ARG  31  10.100   5.860  13.150
   68    H    ARG  31           H        ARG  31   6.760   6.160   7.930
   69    HE   ARG  31           HE       ARG  31  11.070   7.370  11.420
   70   1HH1  ARG  31           HH2      ARG  31   7.770   7.960  12.560
   71   2HH1  ARG  31           HH2      ARG  31   7.800   6.630  13.680
   72   1HH2  ARG  31           HH1      ARG  31  11.040   5.620  12.890
   73   2HH2  ARG  31           HH1      ARG  31   9.620   5.330  13.850
   74    H    LYS  32           H        LYS  32   8.730   4.830   9.720
   75   1HZ   LYS  32           HZ3      LYS  32   8.850   0.460  15.190
   76   2HZ   LYS  32           HZ1      LYS  32  10.080   0.750  16.220
   77   3HZ   LYS  32           HZ2      LYS  32   9.110   1.970  15.770
   78    H    ILE  33           H        ILE  33   9.250   2.470   7.930
   79    H    GLY  34           H        GLY  34  10.910   3.890   6.250
   80    H    VAL  35           H        VAL  35   9.500   4.490   4.430
   81    H    VAL  36           H        VAL  36   8.010   5.570   0.400
   82    H    GLY  37           H        GLY  37   5.660   9.330   0.250
   83    CH2  TRP  38           CH2      TRP  38  -3.100   9.850  -5.320
   84    H    TRP  38           H        TRP  38   1.910   8.310  -1.650
   85    HE1  TRP  38           HE1      TRP  38   1.050  10.140  -5.870
   86    H    VAL  39           H        VAL  39  -1.360   9.460   0.900
   87    H    LYS  40           H        LYS  40  -4.670   7.060  -0.950
   88   1HZ   LYS  40           HZ3      LYS  40  -9.210  11.060  -5.960
   89   2HZ   LYS  40           HZ1      LYS  40 -10.180   9.870  -5.410
   90   3HZ   LYS  40           HZ2      LYS  40 -10.670  11.430  -5.300
   91    H    ASN  41           H        ASN  41  -8.220   9.010   0.600
   92   1HD2  ASN  41           HD2      ASN  41 -10.840  10.860   2.460
   93   2HD2  ASN  41           HD2      ASN  41 -11.710   9.630   1.570
   94    H    THR  42           H        THR  42 -10.330   6.080  -1.650
   95    HG1  THR  42           HG1      THR  42 -10.700   7.170  -6.110
   96    H    SER  43           H        SER  43 -13.030   8.320  -4.500
   97    HG   SER  43           HG       SER  43 -14.760   8.650  -7.170
   98    H    LYS  44           H        LYS  44 -13.930   5.860  -5.330
   99   1HZ   LYS  44           HZ1      LYS  44 -16.460   5.820  -9.010
  100   2HZ   LYS  44           HZ2      LYS  44 -14.830   5.990  -9.110
  101   3HZ   LYS  44           HZ3      LYS  44 -15.740   5.870 -10.480
  102    H    GLY  45           H        GLY  45 -14.530   4.850  -2.550
  103    H    THR  46           H        THR  46 -12.900   2.210  -2.790
  104    HG1  THR  46           HG1      THR  46 -11.870   0.330  -4.270
  105    H    VAL  47           H        VAL  47  -9.220   1.390  -0.210
  106    H    THR  48           H        THR  48  -7.090   4.790  -1.580
  107    HG1  THR  48           HG1      THR  48  -5.300   3.420  -5.530
  108    H    GLY  49           H        GLY  49  -4.120   5.070  -4.560
  109    H    GLN  50           H        GLN  50  -0.290   6.940  -3.360
  110   1HE2  GLN  50           HE2      GLN  50   1.250   8.220  -9.700
  111   2HE2  GLN  50           HE2      GLN  50  -0.190   7.820  -8.780
  112    H    VAL  51           H        VAL  51   2.550   3.920  -4.180
  113    H    GLN  52           H        GLN  52   5.920   5.750  -2.410
  114   1HE2  GLN  52           HE2      GLN  52  11.190   5.740  -7.180
  115   2HE2  GLN  52           HE2      GLN  52  10.530   7.320  -6.970
  116    H    GLY  53           H        GLY  53   9.170   3.280  -3.880
  117    H    GLU  55           H        GLU  55  13.720  -0.620  -4.780
  118    H    GLU  56           H        GLU  56  14.650  -2.580  -1.920
  119    H    LYS  57           H        LYS  57  12.940  -1.300  -0.150
  120   1HZ   LYS  57           HZ3      LYS  57  14.400   1.590   3.890
  121   2HZ   LYS  57           HZ1      LYS  57  15.650   0.600   3.600
  122   3HZ   LYS  57           HZ2      LYS  57  15.900   2.210   3.760
  123    H    VAL  58           H        VAL  58  10.660  -1.450  -1.300
  124    H    ASN  59           H        ASN  59  10.200  -4.230  -1.200
  125   1HD2  ASN  59           HD2      ASN  59  10.790  -6.730  -3.920
  126   2HD2  ASN  59           HD2      ASN  59   9.370  -7.090  -2.970
  127    H    SER  60           H        SER  60   9.450  -4.820   1.710
  128    HG   SER  60           HG       SER  60   9.910  -3.100   4.260
  129    H    MET  61           H        MET  61   7.430  -3.140   2.130
  130    H    LYS  62           H        LYS  62   5.450  -4.140  -0.160
  131   1HZ   LYS  62           HZ2      LYS  62   7.850  -7.360  -4.750
  132   2HZ   LYS  62           HZ3      LYS  62   8.260  -8.870  -4.240
  133   3HZ   LYS  62           HZ1      LYS  62   6.800  -8.590  -4.890
  134    H    SER  63           H        SER  63   4.670  -6.680   1.150
  135    HG   SER  63           HG       SER  63   5.850  -8.770   1.630
  136    CH2  TRP  64           CH2      TRP  64   3.460   1.170   5.770
  137    H    TRP  64           H        TRP  64   3.740  -5.820   3.630
  138    HE1  TRP  64           HE1      TRP  64   1.210  -1.380   8.230
  139    H    LEU  65           H        LEU  65   1.460  -4.080   2.650
  140    H    SER  66           H        SER  66  -0.690  -6.130   2.670
  141    HG   SER  66           HG       SER  66  -0.200  -8.330   1.640
  142    H    LYS  67           H        LYS  67  -2.630  -9.020   2.450
  143   1HZ   LYS  67           HZ2      LYS  67  -7.120 -14.520   1.280
  144   2HZ   LYS  67           HZ3      LYS  67  -6.610 -13.420   0.180
  145   3HZ   LYS  67           HZ1      LYS  67  -5.730 -14.760   0.460
  146    H    VAL  68           H        VAL  68  -3.930  -7.800   5.680
  147    H    GLY  69           H        GLY  69  -4.160  -6.690   7.470
  148    H    SER  70           H        SER  70  -2.330  -7.450  10.610
  149    HG   SER  70           HG       SER  70  -0.050  -9.070  11.540
  150    H    SER  72           H        SER  72  -2.260  -2.470  13.200
  151    HG   SER  72           HG       SER  72  -2.510   0.570  14.790
  152    H    SER  73           H        SER  73  -3.830  -1.540  12.190
  153    HG   SER  73           HG       SER  73  -5.970   0.700  12.410
  154    NH1  ARG  74           NH1      ARG  74  -6.450  -9.200   7.360
  155    NH2  ARG  74           NH2      ARG  74  -6.350 -10.520   9.220
  156    H    ARG  74           H        ARG  74  -7.840  -2.720  10.710
  157    HE   ARG  74           HE       ARG  74  -7.890  -8.850  10.230
  158   1HH1  ARG  74           HH1      ARG  74  -6.720  -8.350   6.900
  159   2HH1  ARG  74           HH1      ARG  74  -5.900  -9.880   6.880
  160   1HH2  ARG  74           HH2      ARG  74  -6.520 -10.680  10.190
  161   2HH2  ARG  74           HH2      ARG  74  -5.800 -11.160   8.690
  162    H    ILE  75           H        ILE  75  -5.200  -4.010   7.950
  163    H    ASP  76           H        ASP  76  -7.940  -4.820   5.130
  164    NH1  ARG  77           NH1      ARG  77  -5.070  -9.390  -3.720
  165    NH2  ARG  77           NH2      ARG  77  -6.880  -8.540  -4.820
  166    H    ARG  77           H        ARG  77  -7.800  -5.840   2.190
  167    HE   ARG  77           HE       ARG  77  -8.030  -8.730  -2.590
  168   1HH1  ARG  77           HH1      ARG  77  -4.650  -9.770  -2.900
  169   2HH1  ARG  77           HH1      ARG  77  -4.530  -9.330  -4.570
  170   1HH2  ARG  77           HH2      ARG  77  -7.850  -8.290  -4.850
  171   2HH2  ARG  77           HH2      ARG  77  -6.320  -8.500  -5.640
  172    H    THR  78           H        THR  78  -5.250  -7.330  -0.910
  173    HG1  THR  78           HG1      THR  78  -4.160  -3.810   0.800
  174    H    ASN  79           H        ASN  79  -5.580  -4.560  -4.040
  175   1HD2  ASN  79           HD2      ASN  79  -4.100  -7.280  -9.000
  176   2HD2  ASN  79           HD2      ASN  79  -4.780  -7.730  -7.450
  177    H    PHE  80           H        PHE  80  -1.900  -5.650  -6.420
  178    H    SER  81           H        SER  81  -1.360  -1.770  -7.870
  179    HG   SER  81           HG       SER  81  -3.290  -3.640 -10.540
  180    H    ASN  82           H        ASN  82  -0.330  -1.310 -12.170
  181   1HD2  ASN  82           HD2      ASN  82  -3.510   1.210 -11.940
  182   2HD2  ASN  82           HD2      ASN  82  -2.450   1.320 -10.560
  183    H    GLU  83           H        GLU  83   2.990  -0.540 -12.570
  184    H    LYS  84           H        LYS  84   5.190   2.610 -10.830
  185   1HZ   LYS  84           HZ3      LYS  84   2.460   3.930 -13.990
  186   2HZ   LYS  84           HZ1      LYS  84   1.800   4.310 -15.430
  187   3HZ   LYS  84           HZ2      LYS  84   3.150   3.390 -15.380
  188    H    THR  85           H        THR  85   8.510   1.850 -12.810
  189    HG1  THR  85           HG1      THR  85  11.070   1.460 -13.950
  190    H    ILE  86           H        ILE  86  10.490   4.370 -10.150
  191    H    SER  87           H        SER  87  12.990   7.520 -12.150
  192    HG   SER  87           HG       SER  87  16.440  10.030 -11.440
  193    H    LYS  88           H        LYS  88  14.950   8.310  -8.170
  194   1HZ   LYS  88           HZ1      LYS  88  16.520  12.210  -4.940
  195   2HZ   LYS  88           HZ2      LYS  88  17.530  13.410  -5.400
  196   3HZ   LYS  88           HZ3      LYS  88  16.470  13.640  -4.160
  197    H    LEU  89           H        LEU  89  13.460   9.700  -4.400
  198    H    GLU  90           H        GLU  90   9.300   9.760  -5.220
  199    OH   TYR  91           OH       TYR  91   1.440  15.060  -2.030
  200    H    TYR  91           H        TYR  91   9.100  12.260  -2.390
  201    HH   TYR  91           HH       TYR  91   0.950  15.270  -1.190
  202    H    SER  92           H        SER  92   7.390  14.380   0.700
  203    HG   SER  92           HG       SER  92   6.660  15.260   3.150
  204    H    ASN  93           H        ASN  93   8.920  11.100   2.420
  205   1HD2  ASN  93           HD2      ASN  93  10.390   8.460   5.610
  206   2HD2  ASN  93           HD2      ASN  93   9.020   7.920   4.670
  207    H    PHE  94           H        PHE  94   6.070   7.950   3.700
  208    H    SER  95           H        SER  95   3.440  10.580   2.330
  209    HG   SER  95           HG       SER  95   4.750  12.770   4.560
  210    H    VAL  96           H        VAL  96   0.610  10.400   5.440
  211    NH1  ARG  97           NH1      ARG  97  -7.840   4.680   5.430
  212    NH2  ARG  97           NH2      ARG  97  -8.630   6.320   6.840
  213    H    ARG  97           H        ARG  97  -3.760  10.780   5.370
  214    HE   ARG  97           HE       ARG  97  -7.810   7.890   5.040
  215   1HH1  ARG  97           HH1      ARG  97  -7.390   4.410   4.580
  216   2HH1  ARG  97           HH1      ARG  97  -8.250   4.010   6.040
  217   1HH2  ARG  97           HH2      ARG  97  -8.750   7.280   7.090
  218   2HH2  ARG  97           HH2      ARG  97  -9.000   5.590   7.410
  219    OH   TYR  98           OH       TYR  98  -0.520  15.010   0.530
  220    H    TYR  98           H        TYR  98  -5.060  11.000   1.430
  221    HH   TYR  98           HH       TYR  98   0.060  14.270   0.850
   
   No H/Q in entry =         221