*HEADER    TRANSCRIPTION/RNA                       12-FEB-03   1NYB              
*TITLE     SOLUTION STRUCTURE OF THE BACTERIOPHAGE PHI21 N PEPTIDE-              
*TITLE    2 BOXB RNA COMPLEX                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROBABLE REGULATORY PROTEIN N;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: BOXB RNA;                                                  
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE PHI-21;                           
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 GENE: N;                                                             
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 MOL_ID: 2;                                                           
*SOURCE   8 SYNTHETIC: YES;                                                      
*SOURCE   9 OTHER_DETAILS: SYNTHESIS OF THE RNA FRAGMENT FROM THE                
*SOURCE  10 BACTERIOPHAGE PHI21 BOXB                                             
*KEYWDS    PEPTIDE-RNA COMPLEX, TRANSCRIPTION ANTITERMINATION                    
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    C.D.CILLEY, J.R.WILLIAMSON                                            
*REVDAT   1   24-JUN-03 1NYB    0                                                

# Structure calculation restraints are in UPL format, a format used
# by AMBER.

# N peptide
# Distance restraints
8       GLU     H1      8       GLU     HB2     6.00     (#)
9       SER     H       8       GLU     HA      4.50     (#)
9       SER     H       9       SER     QB      6.00     (#)
10      LYS     H       8       GLU     HB3     6.00     (#)
10      LYS     H       9       SER     H       4.50     (#)
10      LYS     H       9       SER     HA      4.50     (#)
10      LYS     H       9       SER     QB      4.50     (#)
10      LYS     H       10      LYS     HB2     4.50     (#)
10      LYS     H       10      LYS     HB3     4.50     (#)
10      LYS     H       10      LYS     QD      6.00     (#)
10      LYS     H       10      LYS     QG      6.00     (#)
10      LYS     HA      10      LYS     QD      6.00     (#)
10      LYS     HA      10      LYS     QG      4.50     (#)
10      LYS     QE      10      LYS     QG      4.50     (#)
10      LYS     H       11      GLY     QA      6.00     (#)
10      LYS     H       12      THR     H       6.00     (#)
11      GLY     H       10      LYS     H       6.00     (#)
11      GLY     H       10      LYS     HA      4.50     (#)
11      GLY     H       10      LYS     HB2     4.50     (#)
11      GLY     H       10      LYS     HB3     4.50     (#)
11      GLY     H       10      LYS     QG      6.00     (#)
11      GLY     QA      10      LYS     HB3     6.00     (#)
11      GLY     QA      12      THR     MG2     6.00     (#)
12      THR     H       10      LYS     HB3     6.00     (#)
12      THR     MG2     10      LYS     HB3     6.00     (#)
12      THR     H       11      GLY     H       4.50     (#)
12      THR     H       11      GLY     QA      4.50     (#)
12      THR     H       12      THR     HB      6.00     (#)
12      THR     H       12      THR     MG2     4.50     (#)
12      THR     HA      12      THR     MG2     3.00     (#)
12      THR     H       13      ALA     H       6.00     (#)
12      THR     HA      13      ALA     H       4.50     (#)
12      THR     H       15      SER     H       6.00     (#)
12      THR     H       15      SER     QB      4.50     (#)
13      ALA     H       12      THR     HB      3.00     (#)
13      ALA     H       12      THR     MG2     6.00     (#)
13      ALA     H       13      ALA     MB      3.00     (#)
13      ALA     H       15      SER     H       6.00     (#)
13      ALA     H       16      ARG     HB3     6.00     (#)
13      ALA     H       16      ARG     QH      6.00     (#)
13      ALA     HA      16      ARG     HB2     6.00     (#)
13      ALA     HA      16      ARG     HB3     6.00     (#)
14      LYS     H       12      THR     HB      3.00     (#)
14      LYS     H       12      THR     MG2     6.00     (#)
14      LYS     H       13      ALA     H       4.50     (#)
14      LYS     H       13      ALA     HA      4.50     (#)
14      LYS     H       13      ALA     MB      4.50     (#)
14      LYS     H       14      LYS     QB      4.50     (#)
14      LYS     H       14      LYS     QD      6.00     (#)
14      LYS     H       14      LYS     QE      6.00     (#)
14      LYS     H       14      LYS     QG      3.00     (#)
14      LYS     HA      14      LYS     QD      6.00     (#)
14      LYS     HA      14      LYS     QG      4.50     (#)
14      LYS     QE      14      LYS     QB      4.50     (#)
14      LYS     QG      14      LYS     QE      4.50     (#)
14      LYS     H       15      SER     H       3.00     (#)
14      LYS     H       15      SER     HA      6.00     (#)
14      LYS     H       17      TYR     HB2     6.00     (#)
14      LYS     H       17      TYR     HB3     6.00     (#)
14      LYS     HA      17      TYR     HB2     6.00     (#)
14      LYS     HA      17      TYR     HB3     6.00     (#)
14      LYS     HA      17      TYR     QD      6.00     (#)
15      SER     HB2     10      LYS     HB3     6.00     (#)
15      SER     HB3     10      LYS     HB3     6.00     (#)
15      SER     H       12      THR     HB      4.50     (#)
15      SER     H       12      THR     MG2     6.00     (#)
15      SER     H       14      LYS     HA      4.50     (#)
15      SER     H       14      LYS     QB      4.50     (#)
15      SER     H       14      LYS     QG      6.00     (#)
15      SER     H       15      SER     HB2     4.50     (#)
15      SER     H       15      SER     HB3     4.50     (#)
15      SER     H       17      TYR     H       4.50     (#)
15      SER     HA      18      LYS     QB      4.50     (#)
16      ARG     H       12      THR     HA      6.00     (#)
16      ARG     HE      12      THR     HA      6.00     (#)
16      ARG     H       13      ALA     H       6.00     (#)
16      ARG     H       13      ALA     HA      4.50     (#)
16      ARG     HE      13      ALA     HA      4.50     (#)
16      ARG     QH      13      ALA     HA      6.00     (#)
16      ARG     QH      13      ALA     MB      6.00     (#)
16      ARG     H       14      LYS     HA      6.00     (#)
16      ARG     H       15      SER     H       3.00     (#)
16      ARG     H       15      SER     HA      4.50     (#)
16      ARG     H       15      SER     HB2     4.50     (#)
16      ARG     H       15      SER     HB3     4.50     (#)
16      ARG     H       16      ARG     HB2     4.50     (#)
16      ARG     H       16      ARG     HG3     6.00     (#)
16      ARG     HB2     16      ARG     HD2     6.00     (#)
16      ARG     HB3     16      ARG     H       4.50     (#)
16      ARG     HD2     16      ARG     HB3     4.50     (#)
16      ARG     HD2     16      ARG     QH      4.50     (#)
16      ARG     HD3     16      ARG     QH      4.50     (#)
16      ARG     HE      16      ARG     H       6.00     (#)
16      ARG     HE      16      ARG     HA      6.00     (#)
16      ARG     HE      16      ARG     HB2     4.50     (#)
16      ARG     HE      16      ARG     HB3     4.50     (#)
16      ARG     HE      16      ARG     HG3     4.50     (#)
16      ARG     HE      16      ARG     QH      4.50     (#)
16      ARG     HG2     16      ARG     H       6.00     (#)
16      ARG     HG2     16      ARG     HA      6.00     (#)
16      ARG     HG2     16      ARG     HD2     6.00     (#)
16      ARG     HG2     16      ARG     HE      6.00     (#)
16      ARG     HG2     16      ARG     QH      6.00     (#)
16      ARG     HG3     16      ARG     HA      4.50     (#)
16      ARG     HG3     16      ARG     QH      6.00     (#)
16      ARG     QH      16      ARG     HB3     6.00     (#)
16      ARG     H       17      TYR     H       3.00     (#)
16      ARG     H       17      TYR     HB2     6.00     (#)
16      ARG     H       17      TYR     HB3     6.00     (#)
16      ARG     HA      19      ALA     MB      4.50     (#)
17      TYR     H       13      ALA     HA      6.00     (#)
17      TYR     H       13      ALA     MB      6.00     (#)
17      TYR     HB3     13      ALA     MB      6.00     (#)
17      TYR     H       14      LYS     HA      6.00     (#)
17      TYR     H       16      ARG     HB2     4.50     (#)
17      TYR     H       16      ARG     HB3     4.50     (#)
17      TYR     H       17      TYR     HB2     4.50     (#)
17      TYR     H       17      TYR     HB3     4.50     (#)
17      TYR     H       17      TYR     QD      6.00     (#)
17      TYR     HA      17      TYR     HB2     4.50     (#)
17      TYR     HA      17      TYR     QD      4.50     (#)
17      TYR     HA      17      TYR     QE      6.00     (#)
17      TYR     HB2     17      TYR     QD      6.00     (#)
17      TYR     HB3     17      TYR     QD      4.50     (#)
17      TYR     H       18      LYS     H       3.00     (#)
17      TYR     H       19      ALA     H       6.00     (#)
17      TYR     HA      20      ARG     HB3     4.50     (#)
17      TYR     HA      20      ARG     QH      6.00     (#)
17      TYR     HB3     20      ARG     HB3     6.00     (#)
18      LYS     H       15      SER     HA      6.00     (#)
18      LYS     HG2     15      SER     HA      6.00     (#)
18      LYS     HG3     15      SER     HA      6.00     (#)
18      LYS     QD      15      SER     HA      6.00     (#)
18      LYS     H       17      TYR     HA      6.00     (#)
18      LYS     H       17      TYR     HB2     6.00     (#)
18      LYS     H       17      TYR     HB3     4.50     (#)
18      LYS     H       17      TYR     QD      6.00     (#)
18      LYS     HA      17      TYR     QD      6.00     (#)
18      LYS     H       18      LYS     HG3     6.00     (#)
18      LYS     H       18      LYS     QB      4.50     (#)
18      LYS     HA      18      LYS     HG3     4.50     (#)
18      LYS     HA      18      LYS     QD      6.00     (#)
18      LYS     HG2     18      LYS     H       6.00     (#)
18      LYS     HG2     18      LYS     HA      6.00     (#)
18      LYS     HG2     18      LYS     QE      6.00     (#)
18      LYS     HG3     18      LYS     QE      6.00     (#)
18      LYS     QD      18      LYS     H       6.00     (#)
18      LYS     HA      19      ALA     H       6.00     (#)
18      LYS     QB      19      ALA     H       4.50     (#)
18      LYS     HA      21      ARG     HB3     6.00     (#)
18      LYS     HA      21      ARG     HD2     6.00     (#)
19      ALA     H       18      LYS     H       4.50     (#)
19      ALA     H       18      LYS     HG2     6.00     (#)
19      ALA     H       18      LYS     HG3     6.00     (#)
19      ALA     MB      18      LYS     H       6.00     (#)
19      ALA     H       19      ALA     MB      4.50     (#)
19      ALA     MB      19      ALA     HA      3.00     (#)
19      ALA     HA      20      ARG     H       4.50     (#)
19      ALA     H       21      ARG     HB3     6.00     (#)
19      ALA     HA      22      ALA     MB      4.50     (#)
20      ARG     H       17      TYR     HA      4.50     (#)
20      ARG     H       17      TYR     QD      6.00     (#)
20      ARG     QD      17      TYR     QE      6.00     (#)
20      ARG     H       18      LYS     HA      6.00     (#)
20      ARG     H       19      ALA     H       3.00     (#)
20      ARG     H       19      ALA     MB      4.50     (#)
20      ARG     H       20      ARG     HB2     4.50     (#)
20      ARG     H       20      ARG     HB3     3.00     (#)
20      ARG     H       20      ARG     HG3     6.00     (#)
20      ARG     H       20      ARG     QD      6.00     (#)
20      ARG     HA      20      ARG     HG3     4.50     (#)
20      ARG     HA      20      ARG     QD      6.00     (#)
20      ARG     HB3     20      ARG     QD      4.50     (#)
20      ARG     HE      20      ARG     HA      6.00     (#)
20      ARG     HE      20      ARG     HB2     6.00     (#)
20      ARG     HE      20      ARG     HB3     6.00     (#)
20      ARG     HE      20      ARG     QH      3.00     (#)
20      ARG     HG2     20      ARG     H       6.00     (#)
20      ARG     HG2     20      ARG     HA      6.00     (#)
20      ARG     HG2     20      ARG     HE      6.00     (#)
20      ARG     HG3     20      ARG     HE      6.00     (#)
20      ARG     HG3     20      ARG     QH      6.00     (#)
20      ARG     QD      20      ARG     HB2     4.50     (#)
20      ARG     QD      20      ARG     HG2     3.00     (#)
20      ARG     QD      20      ARG     HG3     3.00     (#)
20      ARG     QH      20      ARG     HG2     6.00     (#)
20      ARG     QH      20      ARG     QB      6.00     (#)
20      ARG     QH      20      ARG     QD      3.00     (#)
20      ARG     H       21      ARG     H       3.00     (#)
20      ARG     H       21      ARG     HB3     6.00     (#)
20      ARG     HG2     21      ARG     H       6.00     (#)
20      ARG     HG3     21      ARG     H       6.00     (#)
20      ARG     H       23      GLU     HG2     6.00     (#)
20      ARG     H       23      GLU     HG3     6.00     (#)
21      ARG     H       17      TYR     QE      6.00     (#)
21      ARG     HD2     17      TYR     QD      6.00     (#)
21      ARG     HD2     17      TYR     QE      6.00     (#)
21      ARG     HD3     17      TYR     QD      6.00     (#)
21      ARG     HD3     17      TYR     QE      6.00     (#)
21      ARG     H       20      ARG     HA      4.50     (#)
21      ARG     H       20      ARG     HB2     4.50     (#)
21      ARG     H       20      ARG     HB3     4.50     (#)
21      ARG     H       20      ARG     QD      6.00     (#)
21      ARG     H       21      ARG     HB2     4.50     (#)
21      ARG     H       21      ARG     HB3     4.50     (#)
21      ARG     HB2     21      ARG     HE      6.00     (#)
21      ARG     HD2     21      ARG     H       6.00     (#)
21      ARG     HD2     21      ARG     HA      6.00     (#)
21      ARG     HD2     21      ARG     QH      6.00     (#)
21      ARG     HD3     21      ARG     HB2     6.00     (#)
21      ARG     HE      21      ARG     HG3     6.00     (#)
21      ARG     HG2     21      ARG     H       6.00     (#)
21      ARG     HG2     21      ARG     HD3     6.00     (#)
21      ARG     HG2     21      ARG     HE      6.00     (#)
21      ARG     HG3     21      ARG     H       6.00     (#)
21      ARG     HG3     21      ARG     HA      6.00     (#)
21      ARG     H       22      ALA     MB      6.00     (#)
21      ARG     HG3     22      ALA     H       6.00     (#)
21      ARG     H       23      GLU     H       6.00     (#)
21      ARG     HA      24      LEU     HB2     6.00     (#)
21      ARG     HA      24      LEU     MD      6.00     (#)
21      ARG     HB2     25      ILE     MD      6.00     (#)
22      ALA     H       19      ALA     HA      6.00     (#)
22      ALA     H       19      ALA     MB      6.00     (#)
22      ALA     H       21      ARG     H       4.50     (#)
22      ALA     H       21      ARG     HA      6.00     (#)
22      ALA     H       21      ARG     HB2     6.00     (#)
22      ALA     H       21      ARG     HB3     3.00     (#)
22      ALA     MB      22      ALA     H       3.00     (#)
22      ALA     H       23      GLU     H       4.50     (#)
22      ALA     H       23      GLU     QB      6.00     (#)
22      ALA     HA      23      GLU     H       6.00     (#)
22      ALA     HA      25      ILE     H       6.00     (#)
22      ALA     HA      25      ILE     HB      4.50     (#)
22      ALA     HA      25      ILE     HG13    6.00     (#)
22      ALA     HA      25      ILE     MD      6.00     (#)
22      ALA     HA      25      ILE     MG2     6.00     (#)
23      GLU     HG3     19      ALA     MB      6.00     (#)
23      GLU     H       22      ALA     MB      6.00     (#)
23      GLU     H       23      GLU     QB      4.50     (#)
23      GLU     HA      23      GLU     HG2     4.50     (#)
23      GLU     HA      23      GLU     HG3     4.50     (#)
23      GLU     HG2     23      GLU     H       6.00     (#)
23      GLU     HG3     23      GLU     H       6.00     (#)
23      GLU     H       24      LEU     H       3.00     (#)
23      GLU     HA      24      LEU     H       4.50     (#)
23      GLU     HA      26      ALA     H       6.00     (#)
23      GLU     HA      26      ALA     MB      4.50     (#)
24      LEU     H       21      ARG     HA      4.50     (#)
24      LEU     HB3     21      ARG     HA      6.00     (#)
24      LEU     MD2     21      ARG     HA      6.00     (#)
24      LEU     H       23      GLU     HG2     6.00     (#)
24      LEU     H       23      GLU     HG3     6.00     (#)
24      LEU     H       23      GLU     QB      4.50     (#)
24      LEU     HB2     23      GLU     H       6.00     (#)
24      LEU     HB2     23      GLU     QB      6.00     (#)
24      LEU     HB3     23      GLU     QB      6.00     (#)
24      LEU     H       24      LEU     HB2     3.00     (#)
24      LEU     H       24      LEU     HB3     3.00     (#)
24      LEU     H       24      LEU     HG      6.00     (#)
24      LEU     H       24      LEU     MD      6.00     (#)
24      LEU     HG      24      LEU     HA      6.00     (#)
24      LEU     MD      24      LEU     HB3     3.00     (#)
24      LEU     MD1     24      LEU     H       6.00     (#)
24      LEU     MD1     24      LEU     HA      6.00     (#)
24      LEU     MD1     24      LEU     HB2     4.50     (#)
24      LEU     MD1     24      LEU     HB3     3.00     (#)
24      LEU     MD2     24      LEU     H       6.00     (#)
24      LEU     MD2     24      LEU     HA      4.50     (#)
24      LEU     MD2     24      LEU     HB2     4.50     (#)
24      LEU     HG      25      ILE     H       6.00     (#)
24      LEU     MD      25      ILE     H       6.00     (#)
24      LEU     MD2     25      ILE     H       6.00     (#)
24      LEU     HG      28      ARG     H       4.50     (#)
25      ILE     H       24      LEU     H       3.00     (#)
25      ILE     H       24      LEU     HA      4.50     (#)
25      ILE     H       24      LEU     HB2     3.00     (#)
25      ILE     HG12    24      LEU     H       6.00     (#)
25      ILE     H       25      ILE     HB      4.50     (#)
25      ILE     H       25      ILE     MD      6.00     (#)
25      ILE     H       25      ILE     MG2     4.50     (#)
25      ILE     HA      25      ILE     HG12    4.50     (#)
25      ILE     HB      25      ILE     MD      4.50     (#)
25      ILE     HG12    25      ILE     MG2     4.50     (#)
25      ILE     HG13    25      ILE     H       4.50     (#)
25      ILE     HG13    25      ILE     HA      4.50     (#)
25      ILE     HG13    25      ILE     MG2     4.50     (#)
25      ILE     MG2     25      ILE     HA      3.00     (#)
25      ILE     H       26      ALA     H       3.00     (#)
25      ILE     H       26      ALA     MB      6.00     (#)
25      ILE     HB      26      ALA     H       4.50     (#)
25      ILE     HG12    26      ALA     H       6.00     (#)
25      ILE     HG13    26      ALA     H       6.00     (#)
25      ILE     MG2     26      ALA     H       6.00     (#)
25      ILE     HA      28      ARG     H       6.00     (#)
25      ILE     HA      28      ARG     HB3     6.00     (#)
25      ILE     HA      28      ARG     QD      6.00     (#)
25      ILE     HG12    28      ARG     H       6.00     (#)
26      ALA     H       24      LEU     HB3     6.00     (#)
26      ALA     H       25      ILE     HA      4.50     (#)
26      ALA     HA      25      ILE     MG2     6.00     (#)
26      ALA     H       26      ALA     MB      4.50     (#)
26      ALA     H       27      GLU     H       3.00     (#)
27      GLU     H       24      LEU     HB2     6.00     (#)
27      GLU     H       26      ALA     HA      4.50     (#)
27      GLU     H       26      ALA     MB      4.50     (#)
27      GLU     H       27      GLU     HB2     4.50     (#)
27      GLU     H       27      GLU     HB3     4.50     (#)
27      GLU     H       27      GLU     HG2     6.00     (#)
27      GLU     H       27      GLU     HG3     6.00     (#)
27      GLU     HA      27      GLU     HG2     6.00     (#)
27      GLU     HA      27      GLU     HG3     4.50     (#)
28      ARG     H       25      ILE     HB      6.00     (#)
28      ARG     HB2     25      ILE     HA      6.00     (#)
28      ARG     HE      25      ILE     HA      4.50     (#)
28      ARG     HG2     25      ILE     HA      6.00     (#)
28      ARG     HG3     25      ILE     HA      6.00     (#)
28      ARG     HG3     25      ILE     MG2     6.00     (#)
28      ARG     H       27      GLU     H       3.00     (#)
28      ARG     H       28      ARG     HB3     4.50     (#)
28      ARG     H       28      ARG     HG2     6.00     (#)
28      ARG     H       28      ARG     HG3     4.50     (#)
28      ARG     HA      28      ARG     HB2     4.50     (#)
28      ARG     HA      28      ARG     HG2     4.50     (#)
28      ARG     HA      28      ARG     HG3     4.50     (#)
28      ARG     HB2     28      ARG     H       6.00     (#)
28      ARG     HB2     28      ARG     QD      4.50     (#)
28      ARG     HB3     28      ARG     QD      4.50     (#)
28      ARG     HE      28      ARG     H       6.00     (#)
28      ARG     HE      28      ARG     HA      6.00     (#)
28      ARG     HE      28      ARG     HG2     4.50     (#)
28      ARG     HE      28      ARG     HG3     3.00     (#)
28      ARG     QD      28      ARG     HA      6.00     (#)
28      ARG     QD      28      ARG     HE      6.00     (#)
28      ARG     HA      29      ARG     H       4.50     (#)
28      ARG     HB2     29      ARG     H       4.50     (#)
28      ARG     HB3     29      ARG     H       4.50     (#)
29      ARG     H       25      ILE     HA      6.00     (#)
29      ARG     H       28      ARG     H       3.00     (#)
29      ARG     H       28      ARG     HG2     6.00     (#)
29      ARG     H       28      ARG     HG3     6.00     (#)
29      ARG     H       29      ARG     HB3     6.00     (#)
29      ARG     H       29      ARG     QB      4.50     (#)
29      ARG     H       29      ARG     QD      6.00     (#)
29      ARG     H       29      ARG     QG      4.50     (#)
29      ARG     HE      29      ARG     QB      6.00     (#)
29      ARG     HE      29      ARG     QG      4.50     (#)
29      ARG     QD      29      ARG     HA      6.00     (#)
29      ARG     QD      29      ARG     QB      4.50     (#)
29      ARG     QG      29      ARG     HA      6.00     (#)

# Torsion restraints
13 ALA PHI:  (12 THR C)-(13 ALA N)-(13 ALA CA)-(13 ALA C) 251.0 351.0
14 LYS PHI:  (13 ALA C)-(14 LYS N)-(14 LYS CA)-(14 LYS C) 286.5 316.5
15 SER PHI:  (14 LYS C)-(15 SER N)-(15 SER CA)-(15 SER C) 280.5 316.5
16 ARG PHI:  (15 SER C)-(16 ARG N)-(16 ARG CA)-(16 ARG C) 287.5 305.5
17 TYR PHI:  (16 ARG C)-(17 TYR N)-(17 TYR CA)-(17 TYR C) 256.0 336.0
18 LYS PHI:  (17 TYR C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) 240.0 360.0
19 ALA PHI:  (18 LYS C)-(19 ALA N)-(19 ALA CA)-(19 ALA C) 276.0 318.0
20 ARG PHI:  (19 ALA C)-(20 ARG N)-(20 ARG CA)-(20 ARG C) 280.0 316.0
21 ARG PHI:  (20 ARG C)-(21 ARG N)-(21 ARG CA)-(21 ARG C) 285.0 321.0
22 ALA PHI:  (21 ARG C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) 275.0 329.0
23 GLU PHI:  (22 ALA C)-(23 GLU N)-(23 GLU CA)-(23 GLU C) 247.0 347.0
24 LEU PHI:  (23 GLU C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) 282.5 312.5
25 ILE PHI:  (24 LEU C)-(25 ILE N)-(25 ILE CA)-(25 ILE C) 261.5 333.5
26 ALA PHI:  (25 ILE C)-(26 ALA N)-(26 ALA CA)-(26 ALA C) 271.5 313.5
27 GLU PHI:  (26 ALA C)-(27 GLU N)-(27 GLU CA)-(27 GLU C) 219.5 333.5
13 ALA PSI:  (13 ALA N)-(13 ALA CA)-(13 ALA C)-(14 LYS N) 299.0 353.0
14 LYS PSI:  (14 LYS N)-(14 LYS CA)-(14 LYS C)-(15 SER N) 299.0 335.0
15 SER PSI:  (15 SER N)-(15 SER CA)-(15 SER C)-(16 ARG N) 291.0 345.0
16 ARG PSI:  (16 ARG N)-(16 ARG CA)-(16 ARG C)-(17 TYR N) 307.0 337.0
17 TYR PSI:  (17 TYR N)-(17 TYR CA)-(17 TYR C)-(18 LYS N) 300.0 336.0
18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 ALA N) 292.0 346.0
19 ALA PSI:  (19 ALA N)-(19 ALA CA)-(19 ALA C)-(20 ARG N) 299.0 335.0
20 ARG PSI:  (20 ARG N)-(20 ARG CA)-(20 ARG C)-(21 ARG N) 301.0 337.0
21 ARG PSI:  (21 ARG N)-(21 ARG CA)-(21 ARG C)-(22 ALA N) 298.0 340.0
22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 GLU N) 293.0 341.0
23 GLU PSI:  (23 GLU N)-(23 GLU CA)-(23 GLU C)-(24 LEU N) 296.0 338.0
24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 ILE N) 299.0 335.0
25 ILE PSI:  (25 ILE N)-(25 ILE CA)-(25 ILE C)-(26 ALA N) 295.0 349.0
26 ALA PSI:  (26 ALA N)-(26 ALA CA)-(26 ALA C)-(27 GLU N) 296.0 356.0


# boxB RNA
# Exchangable proton distance restraints
1       RG      H1      24      RC      H41     6.00     (#)
1       RG      H1      24      RC      H42     6.00     (#)
1       RG      H1      24      RC      H5      6.00     (#)
2       RG      H1      3       RU      H3      6.00     (#)
2       RG      H1      22      RG      H1      6.00     (#)
2       RG      H1      22      RG      H21     6.00     (#)
2       RG      H1      23      RC      H1'     6.00     (#)
2       RG      H1      23      RC      H41     4.50     (#)
2       RG      H1      23      RC      H42     3.00     (#)
2       RG      H1      23      RC      H5      6.00     (#)
2       RG      H1      24      RC      H1'     6.00     (#)
3       RU      H1'     2       RG      H1      6.00     (#)
3       RU      H3      3       RU      H5      6.00     (#)
3       RU      H3      3       RU      H6      6.00     (#)
3       RU      H3      4       RU      H5      6.00     (#)
3       RU      H3      4       RU      H6      6.00     (#)
3       RU      H3      22      RG      H1      3.00     (#)
3       RU      H3      22      RG      H21     6.00     (#)
3       RU      H3      23      RC      H41     6.00     (#)
3       RU      H3      23      RC      H42     6.00     (#)
4       RU      H1'     3       RU      H3      6.00     (#)
4       RU      H3      5       RC      H41     6.00     (#)
4       RU      H3      5       RC      H42     6.00     (#)
4       RU      H3      21      RA      H2      4.50     (#)
4       RU      H3      22      RG      H1'     6.00     (#)
5       RC      H5      5       RC      H41     4.50     (#)
5       RC      H5      5       RC      H42     4.50     (#)
6       RA      H1'     20      RG      H1      6.00     (#)
7       RC      H5      7       RC      H41     6.00     (#)
7       RC      H5      7       RC      H42     6.00     (#)
7       RC      H42     18      RG      H1      4.50     (#)
8       RC      H5      8       RC      H42     6.00     (#)
9       RU      H5      9       RU      H3      6.00     (#)
9       RU      H3      16      RG      H1      6.00     (#)
9       RU      H3      16      RG      H22     6.00     (#)
16      RG      H1      16      RG      QH2     6.00     (#)
17      RG      H1      7       RC      H42     6.00     (#)
17      RG      H1      8       RC      H1'     6.00     (#)
17      RG      H1      8       RC      H41     4.50     (#)
17      RG      H1      8       RC      H42     4.50     (#)
17      RG      H1      9       RU      H1'     4.50     (#)
17      RG      H1      9       RU      H3      6.00     (#)
17      RG      H1      18      RG      H1'     4.50     (#)
17      RG      H1      18      RG      H8      6.00     (#)
18      RG      H1      6       RA      H2      6.00     (#)
18      RG      H1      7       RC      H41     4.50     (#)
18      RG      H1      7       RC      H5      6.00     (#)
18      RG      H1      7       RC      H6      6.00     (#)
18      RG      H1      8       RC      H1'     6.00     (#)
18      RG      H1      8       RC      H42     6.00     (#)
18      RG      H1      17      RG      H1      6.00     (#)
18      RG      H1      19      RU      H1'     6.00     (#)
19      RU      H3      6       RA      H2      3.00     (#)
19      RU      H3      7       RC      H1'     6.00     (#)
19      RU      H3      7       RC      H41     6.00     (#)
19      RU      H3      7       RC      H42     6.00     (#)
19      RU      H3      18      RG      H1      4.50     (#)
19      RU      H3      19      RU      H1'     6.00     (#)
19      RU      H3      19      RU      H5      6.00     (#)
19      RU      H3      20      RG      H1      6.00     (#)
19      RU      H3      20      RG      H1'     6.00     (#)
19      RU      H3      20      RG      H8      6.00     (#)
20      RG      H1      4       RU      H3      6.00     (#)
20      RG      H1      5       RC      H1'     6.00     (#)
20      RG      H1      5       RC      H41     4.50     (#)
20      RG      H1      5       RC      H42     3.00     (#)
20      RG      H1      6       RA      H2      6.00     (#)
20      RG      H1      6       RA      H8      6.00     (#)
20      RG      H1      21      RA      H2      4.50     (#)
20      RG      H1      21      RA      H8      6.00     (#)
21      RA      H1'     20      RG      H1      6.00     (#)
22      RG      QH2     2       RG      H1      6.00     (#)
22      RG      QH2     3       RU      H3      6.00     (#)
22      RG      H1      4       RU      H1'     6.00     (#)
22      RG      H1      4       RU      H3      6.00     (#)
22      RG      H1      22      RG      H21     4.50     (#)
22      RG      QH2     22      RG      H1      3.00     (#)
22      RG      H1      23      RC      H1'     6.00     (#)
22      RG      H1      23      RC      H41     6.00     (#)
23      RC      H5      23      RC      H41     6.00     (#)
23      RC      H5      23      RC      H42     6.00     (#)
24      RC      H5      23      RC      H41     6.00     (#)
24      RC      H5      23      RC      H42     6.00     (#)

# Non-exchangable proton distance restraints
1       RG      H1'     1       RG      H3'     4.50     (#)
1       RG      H1'     1       RG      H4'     4.50     (#)
1       RG      H1'     1       RG      H8      6.00     (#)
1       RG      H2'1    1       RG      H4'     4.50     (#)
1       RG      H2'1    1       RG      H8      6.00     (#)
1       RG      H3'     1       RG      H5'2    6.00     (#)
1       RG      H3'     1       RG      H8      6.00     (#)
1       RG      H5'1    1       RG      H1'     6.00     (#)
1       RG      H5'1    1       RG      H2'1    6.00     (#)
1       RG      H5'1    1       RG      H3'     6.00     (#)
1       RG      H5'1    1       RG      H8      6.00     (#)
1       RG      H5'2    1       RG      H1'     6.00     (#)
1       RG      H5'2    1       RG      H2'1    6.00     (#)
1       RG      H8      1       RG      H4'     6.00     (#)
1       RG      H8      1       RG      H5'2    6.00     (#)
1       RG      H1'     2       RG      H8      6.00     (#)
1       RG      H2'1    2       RG      H5'2    6.00     (#)
1       RG      H2'1    2       RG      H8      4.50     (#)
1       RG      H3'     2       RG      H8      6.00     (#)
1       RG      H4'     2       RG      H8      6.00     (#)
2       RG      H1'     1       RG      H2'1    6.00     (#)
2       RG      H5'1    1       RG      H2'1    6.00     (#)
2       RG      H5'2    1       RG      H3'     6.00     (#)
2       RG      H8      1       RG      H8      6.00     (#)
2       RG      H1'     2       RG      H3'     6.00     (#)
2       RG      H1'     2       RG      H8      6.00     (#)
2       RG      H2'1    2       RG      H8      6.00     (#)
2       RG      H3'     2       RG      H5'2    6.00     (#)
2       RG      H3'     2       RG      H8      6.00     (#)
2       RG      H4'     2       RG      H1'     6.00     (#)
2       RG      H5'1    2       RG      H1'     6.00     (#)
2       RG      H5'2    2       RG      H1'     6.00     (#)
2       RG      H8      2       RG      H4'     6.00     (#)
2       RG      H8      2       RG      H5'1    6.00     (#)
2       RG      H8      2       RG      H5'2    6.00     (#)
2       RG      H1'     3       RU      H6      6.00     (#)
2       RG      H2'1    3       RU      H5'2    6.00     (#)
2       RG      H2'1    3       RU      H6      3.00     (#)
2       RG      H3'     3       RU      H5      6.00     (#)
2       RG      H3'     3       RU      H6      6.00     (#)
2       RG      H4'     3       RU      H6      6.00     (#)
3       RU      H1'     2       RG      H2'1    6.00     (#)
3       RU      H5      2       RG      H2'1    6.00     (#)
3       RU      H5      2       RG      H8      6.00     (#)
3       RU      H6      2       RG      H8      6.00     (#)
3       RU      H1'     3       RU      H6      4.50     (#)
3       RU      H3'     3       RU      H6      4.50     (#)
3       RU      H4'     3       RU      H1'     4.50     (#)
3       RU      H5      3       RU      H2'1    6.00     (#)
3       RU      H5'1    3       RU      H1'     6.00     (#)
3       RU      H5'1    3       RU      H6      6.00     (#)
3       RU      H5'2    3       RU      H1'     6.00     (#)
3       RU      H5'2    3       RU      H6      6.00     (#)
3       RU      H6      3       RU      H2'1    6.00     (#)
3       RU      H6      3       RU      H4'     6.00     (#)
3       RU      H1'     4       RU      H6      6.00     (#)
3       RU      H2'1    4       RU      H5      4.50     (#)
3       RU      H2'1    4       RU      H6      3.00     (#)
3       RU      H3'     4       RU      H5      4.50     (#)
3       RU      H3'     4       RU      H6      4.50     (#)
3       RU      H4'     4       RU      H6      6.00     (#)
3       RU      H6      4       RU      H6      6.00     (#)
4       RU      H5      3       RU      H6      6.00     (#)
4       RU      H1'     4       RU      H6      6.00     (#)
4       RU      H2'1    4       RU      H6      6.00     (#)
4       RU      H4'     4       RU      H1'     6.00     (#)
4       RU      H4'     4       RU      H6      6.00     (#)
4       RU      H5'1    4       RU      H1'     6.00     (#)
4       RU      H5'1    4       RU      H6      6.00     (#)
4       RU      H5'2    4       RU      H1'     6.00     (#)
4       RU      H5'2    4       RU      H6      6.00     (#)
4       RU      H1'     5       RC      H6      6.00     (#)
4       RU      H2'1    5       RC      H6      3.00     (#)
4       RU      H5      5       RC      H6      6.00     (#)
4       RU      H1'     22      RG      QH2     4.50     (#)
5       RC      H5      4       RU      H2'1    4.50     (#)
5       RC      H5      4       RU      H6      6.00     (#)
5       RC      H6      4       RU      H6      6.00     (#)
5       RC      H1'     5       RC      H6      6.00     (#)
5       RC      H2'1    5       RC      H6      6.00     (#)
5       RC      H3'     5       RC      H6      4.50     (#)
5       RC      H4'     5       RC      H1'     6.00     (#)
5       RC      H5      5       RC      H5'2    6.00     (#)
5       RC      H5'1    5       RC      H1'     6.00     (#)
5       RC      H5'1    5       RC      H6      6.00     (#)
5       RC      H5'2    5       RC      H1'     6.00     (#)
5       RC      H6      5       RC      H5'2    6.00     (#)
5       RC      H1'     6       RA      H8      6.00     (#)
5       RC      H2'1    6       RA      H1'     6.00     (#)
5       RC      H2'1    6       RA      H8      3.00     (#)
5       RC      H3'     6       RA      H8      6.00     (#)
5       RC      H4'     6       RA      H8      6.00     (#)
5       RC      H1'     21      RA      H2      6.00     (#)
6       RA      H8      5       RC      H6      6.00     (#)
6       RA      H1'     6       RA      H2      6.00     (#)
6       RA      H1'     6       RA      H8      6.00     (#)
6       RA      H2      6       RA      H2'1    6.00     (#)
6       RA      H2'1    6       RA      H8      6.00     (#)
6       RA      H3'     6       RA      H1'     6.00     (#)
6       RA      H3'     6       RA      H5'2    6.00     (#)
6       RA      H3'     6       RA      H8      6.00     (#)
6       RA      H4'     6       RA      H1'     4.50     (#)
6       RA      H4'     6       RA      H8      6.00     (#)
6       RA      H5'1    6       RA      H1'     6.00     (#)
6       RA      H5'1    6       RA      H3'     6.00     (#)
6       RA      H5'1    6       RA      H4'     4.50     (#)
6       RA      H5'1    6       RA      H8      6.00     (#)
6       RA      H5'2    6       RA      H1'     6.00     (#)
6       RA      H8      6       RA      H5'2    6.00     (#)
6       RA      H1'     7       RC      H6      6.00     (#)
6       RA      H2      7       RC      H2'1    6.00     (#)
6       RA      H2'1    7       RC      H5      6.00     (#)
6       RA      H2'1    7       RC      H6      3.00     (#)
6       RA      H3'     7       RC      H5      6.00     (#)
6       RA      H3'     7       RC      H6      6.00     (#)
6       RA      H4'     7       RC      H6      6.00     (#)
6       RA      H8      7       RC      H6      6.00     (#)
7       RC      H1'     6       RA      H2      4.50     (#)
7       RC      H1'     6       RA      H2'1    6.00     (#)
7       RC      H5      6       RA      H1'     6.00     (#)
7       RC      H5      6       RA      H8      6.00     (#)
7       RC      H1'     7       RC      H5'2    6.00     (#)
7       RC      H1'     7       RC      H6      6.00     (#)
7       RC      H3'     7       RC      H5      6.00     (#)
7       RC      H3'     7       RC      H5'2    4.50     (#)
7       RC      H3'     7       RC      H6      4.50     (#)
7       RC      H4'     7       RC      H6      6.00     (#)
7       RC      H5'1    7       RC      H1'     6.00     (#)
7       RC      H5'1    7       RC      H4'     4.50     (#)
7       RC      H5'1    7       RC      H6      6.00     (#)
7       RC      H6      7       RC      H2'1    6.00     (#)
7       RC      H6      7       RC      H5'2    6.00     (#)
7       RC      H2'1    8       RC      H5      6.00     (#)
7       RC      H2'1    8       RC      H5'2    4.50     (#)
7       RC      H2'1    8       RC      H6      6.00     (#)
8       RC      H1'     8       RC      H3'     4.50     (#)
8       RC      H1'     8       RC      H6      6.00     (#)
8       RC      H2'1    8       RC      H6      6.00     (#)
8       RC      H3'     8       RC      H6      6.00     (#)
8       RC      H4'     8       RC      H1'     6.00     (#)
8       RC      H4'     8       RC      H6      6.00     (#)
8       RC      H5      8       RC      H1'     6.00     (#)
8       RC      H5'1    8       RC      H6      6.00     (#)
8       RC      H5'2    8       RC      H1'     6.00     (#)
8       RC      H5'2    8       RC      H6      6.00     (#)
8       RC      H1'     9       RU      H6      6.00     (#)
8       RC      H2'1    9       RU      H5'2    6.00     (#)
8       RC      H2'1    9       RU      H6      4.50     (#)
8       RC      H3'     9       RU      H6      6.00     (#)
9       RU      H6      8       RC      H5      6.00     (#)
9       RU      H1'     9       RU      H6      6.00     (#)
9       RU      H2'1    9       RU      H6      4.50     (#)
9       RU      H3'     9       RU      H6      6.00     (#)
9       RU      H4'     9       RU      H1'     6.00     (#)
9       RU      H4'     9       RU      H6      6.00     (#)
9       RU      H5      9       RU      H3'     6.00     (#)
9       RU      H5      9       RU      H5'2    6.00     (#)
9       RU      H5'1    9       RU      H1'     6.00     (#)
9       RU      H5'1    9       RU      H4'     3.00     (#)
9       RU      H5'1    9       RU      H6      6.00     (#)
9       RU      H5'2    9       RU      H6      6.00     (#)
9       RU      H2'1    10      RC      H4'     6.00     (#)
9       RU      H2'1    10      RC      H5      6.00     (#)
9       RU      H2'1    10      RC      H6      6.00     (#)
9       RU      H3'     10      RC      H5      6.00     (#)
9       RU      H3'     10      RC      H6      6.00     (#)
9       RU      H1'     16      RG      QH2     6.00     (#)
10      RC      H1'     9       RU      H2'1    6.00     (#)
10      RC      H6      9       RU      H1'     6.00     (#)
10      RC      H1'     10      RC      H5'1    6.00     (#)
10      RC      H1'     10      RC      H6      6.00     (#)
10      RC      H2'1    10      RC      H5'1    6.00     (#)
10      RC      H2'1    10      RC      H6      6.00     (#)
10      RC      H3'     10      RC      H5'1    6.00     (#)
10      RC      H3'     10      RC      H6      6.00     (#)
10      RC      H4'     10      RC      H1'     4.50     (#)
10      RC      H4'     10      RC      H6      6.00     (#)
10      RC      H5      10      RC      H2'1    6.00     (#)
10      RC      H5'1    10      RC      H4'     3.00     (#)
10      RC      H5'2    10      RC      H1'     6.00     (#)
10      RC      H1'     11      RU      H6      6.00     (#)
10      RC      H2'1    11      RU      H5'2    6.00     (#)
10      RC      H2'1    11      RU      H6      6.00     (#)
10      RC      H3'     11      RU      H6      6.00     (#)
10      RC      H4'     11      RU      H6      6.00     (#)
10      RC      H5      11      RU      H6      6.00     (#)
10      RC      H6      11      RU      H6      6.00     (#)
10      RC      H1'     16      RG      QH2     6.00     (#)
11      RU      H5      10      RC      H2'1    6.00     (#)
11      RU      H5      10      RC      H5      6.00     (#)
11      RU      H5      10      RC      H5'2    6.00     (#)
11      RU      H5      10      RC      H6      6.00     (#)
11      RU      H1'     11      RU      H4'     4.50     (#)
11      RU      H1'     11      RU      H5'2    6.00     (#)
11      RU      H1'     11      RU      H6      6.00     (#)
11      RU      H2'1    11      RU      H6      6.00     (#)
11      RU      H3'     11      RU      H1'     6.00     (#)
11      RU      H3'     11      RU      H5      6.00     (#)
11      RU      H3'     11      RU      H6      6.00     (#)
11      RU      H4'     11      RU      H2'1    6.00     (#)
11      RU      H4'     11      RU      H6      6.00     (#)
11      RU      H5'1    11      RU      H1'     6.00     (#)
11      RU      H5'1    11      RU      H2'1    6.00     (#)
11      RU      H5'1    11      RU      H4'     4.50     (#)
11      RU      H5'1    11      RU      H6      6.00     (#)
11      RU      H5'2    11      RU      H2'1    6.00     (#)
11      RU      H6      11      RU      H5'2    6.00     (#)
11      RU      H1'     12      RA      H8      6.00     (#)
11      RU      H2'1    12      RA      H2'1    6.00     (#)
11      RU      H2'1    12      RA      H3'     6.00     (#)
11      RU      H2'1    12      RA      H8      6.00     (#)
11      RU      H3'     12      RA      H8      6.00     (#)
11      RU      H4'     12      RA      H8      6.00     (#)
11      RU      H1'     13      RA      H5'2    6.00     (#)
11      RU      H1'     13      RA      H8      6.00     (#)
11      RU      H4'     13      RA      H8      6.00     (#)
11      RU      H1'     14      RC      H5      4.50     (#)
11      RU      H1'     14      RC      H6      6.00     (#)
12      RA      H3'     11      RU      H1'     6.00     (#)
12      RA      H5'2    11      RU      H2'1    6.00     (#)
12      RA      H1'     12      RA      H2      6.00     (#)
12      RA      H1'     12      RA      H3'     4.50     (#)
12      RA      H1'     12      RA      H5'2    6.00     (#)
12      RA      H1'     12      RA      H8      4.50     (#)
12      RA      H2      12      RA      H2'1    6.00     (#)
12      RA      H2'1    12      RA      H8      6.00     (#)
12      RA      H3'     12      RA      H5'2    6.00     (#)
12      RA      H3'     12      RA      H8      6.00     (#)
12      RA      H4'     12      RA      H2'1    6.00     (#)
12      RA      H4'     12      RA      H8      6.00     (#)
12      RA      H5'1    12      RA      H1'     6.00     (#)
12      RA      H5'1    12      RA      H3'     6.00     (#)
12      RA      H5'1    12      RA      H8      6.00     (#)
12      RA      H8      12      RA      H5'2    6.00     (#)
12      RA      H1'     13      RA      H8      6.00     (#)
12      RA      H2      13      RA      H2'1    6.00     (#)
12      RA      H2'1    13      RA      H4'     6.00     (#)
12      RA      H2'1    13      RA      H5'2    6.00     (#)
12      RA      H2'1    13      RA      H8      4.50     (#)
12      RA      H3'     13      RA      H5'2    6.00     (#)
12      RA      H3'     13      RA      H8      4.50     (#)
13      RA      H8      11      RU      H2'1    4.50     (#)
13      RA      H1'     12      RA      H2      3.00     (#)
13      RA      H1'     12      RA      H2'1    6.00     (#)
13      RA      H1'     12      RA      H3'     6.00     (#)
13      RA      H2      12      RA      H2      6.00     (#)
13      RA      H5'1    12      RA      H2'1    6.00     (#)
13      RA      H8      12      RA      H8      6.00     (#)
13      RA      H1'     13      RA      H2      6.00     (#)
13      RA      H1'     13      RA      H3'     4.50     (#)
13      RA      H1'     13      RA      H5'2    6.00     (#)
13      RA      H2'1    13      RA      H8      6.00     (#)
13      RA      H3'     13      RA      H8      6.00     (#)
13      RA      H4'     13      RA      H1'     6.00     (#)
13      RA      H5'1    13      RA      H1'     6.00     (#)
13      RA      H5'1    13      RA      H3'     6.00     (#)
13      RA      H5'1    13      RA      H8      6.00     (#)
13      RA      H8      13      RA      H1'     6.00     (#)
13      RA      H8      13      RA      H5'2    6.00     (#)
13      RA      H1'     14      RC      H5      6.00     (#)
13      RA      H1'     14      RC      H6      6.00     (#)
13      RA      H2      14      RC      H2'1    6.00     (#)
13      RA      H2      14      RC      H3'     6.00     (#)
13      RA      H2      14      RC      H6      6.00     (#)
13      RA      H2'1    14      RC      H5'2    6.00     (#)
13      RA      H2'1    14      RC      H6      3.00     (#)
13      RA      H3'     14      RC      H5      6.00     (#)
13      RA      H3'     14      RC      H6      6.00     (#)
13      RA      H4'     14      RC      H6      6.00     (#)
13      RA      H8      14      RC      H5      6.00     (#)
13      RA      H8      14      RC      H6      6.00     (#)
14      RC      H1'     13      RA      H2      4.50     (#)
14      RC      H5      13      RA      H2'1    4.50     (#)
14      RC      H1'     14      RC      H3'     4.50     (#)
14      RC      H1'     14      RC      H6      6.00     (#)
14      RC      H2'1    14      RC      H5'2    6.00     (#)
14      RC      H3'     14      RC      H5'2    6.00     (#)
14      RC      H3'     14      RC      H6      6.00     (#)
14      RC      H4'     14      RC      H6      6.00     (#)
14      RC      H5      14      RC      H3'     6.00     (#)
14      RC      H5      14      RC      H5'2    6.00     (#)
14      RC      H5'1    14      RC      H1'     6.00     (#)
14      RC      H5'1    14      RC      H6      6.00     (#)
14      RC      H6      14      RC      H5'2    6.00     (#)
14      RC      H1'     15      RC      H6      6.00     (#)
14      RC      H2'1    15      RC      H6      4.50     (#)
14      RC      H3'     15      RC      H5      6.00     (#)
14      RC      H3'     15      RC      H6      4.50     (#)
14      RC      H4'     15      RC      H5      6.00     (#)
14      RC      H4'     15      RC      H6      6.00     (#)
14      RC      H5      15      RC      H6      6.00     (#)
14      RC      H5'1    15      RC      H6      6.00     (#)
14      RC      H5'2    15      RC      H5      6.00     (#)
14      RC      H5'2    15      RC      H6      6.00     (#)
14      RC      H6      15      RC      H6      6.00     (#)
15      RC      H5      14      RC      H2'1    6.00     (#)
15      RC      H5      14      RC      H5      6.00     (#)
15      RC      H5      14      RC      H6      6.00     (#)
15      RC      H5'1    14      RC      H1'     6.00     (#)
15      RC      H1'     15      RC      H5'2    6.00     (#)
15      RC      H2'1    15      RC      H6      4.50     (#)
15      RC      H3'     15      RC      H5      6.00     (#)
15      RC      H3'     15      RC      H6      4.50     (#)
15      RC      H4'     15      RC      H1'     6.00     (#)
15      RC      H4'     15      RC      H6      6.00     (#)
15      RC      H5'1    15      RC      H1'     6.00     (#)
15      RC      H5'1    15      RC      H5      6.00     (#)
15      RC      H5'1    15      RC      H6      6.00     (#)
15      RC      H5'2    15      RC      H6      6.00     (#)
15      RC      H6      15      RC      H1'     6.00     (#)
15      RC      H2'1    16      RG      H8      4.50     (#)
16      RG      H8      15      RC      H3'     6.00     (#)
16      RG      H8      15      RC      H5      6.00     (#)
16      RG      H2'1    16      RG      H8      6.00     (#)
16      RG      H3'     16      RG      H1'     6.00     (#)
16      RG      H3'     16      RG      H5'2    6.00     (#)
16      RG      H3'     16      RG      H8      6.00     (#)
16      RG      H4'     16      RG      H1'     6.00     (#)
16      RG      H4'     16      RG      H2'1    6.00     (#)
16      RG      H4'     16      RG      H8      6.00     (#)
16      RG      H5'1    16      RG      H1'     6.00     (#)
16      RG      H5'1    16      RG      H2'1    6.00     (#)
16      RG      H5'1    16      RG      H8      6.00     (#)
16      RG      H5'2    16      RG      H1'     6.00     (#)
16      RG      H5'2    16      RG      H2'1    6.00     (#)
16      RG      H8      16      RG      H1'     6.00     (#)
16      RG      H8      16      RG      H5'2    4.50     (#)
16      RG      H2'1    17      RG      H1'     6.00     (#)
16      RG      H2'1    17      RG      H3'     6.00     (#)
16      RG      H2'1    17      RG      H5'1    6.00     (#)
16      RG      H2'1    17      RG      H5'2    6.00     (#)
16      RG      H2'1    17      RG      H8      3.00     (#)
16      RG      H3'     17      RG      H8      4.50     (#)
16      RG      H4'     17      RG      H8      6.00     (#)
16      RG      H5'1    17      RG      H8      6.00     (#)
16      RG      H5'2    17      RG      H8      6.00     (#)
16      RG      QH2     17      RG      H8      6.00     (#)
17      RG      H1'     16      RG      QH2     4.50     (#)
17      RG      H8      16      RG      H1'     6.00     (#)
17      RG      H8      16      RG      H8      6.00     (#)
17      RG      H1'     17      RG      H8      6.00     (#)
17      RG      H2'1    17      RG      H8      6.00     (#)
17      RG      H3'     17      RG      H1'     4.50     (#)
17      RG      H3'     17      RG      H8      6.00     (#)
17      RG      H4'     17      RG      H8      6.00     (#)
17      RG      H5'1    17      RG      H1'     6.00     (#)
17      RG      H5'2    17      RG      H1'     6.00     (#)
17      RG      H8      17      RG      H5'1    6.00     (#)
17      RG      H8      17      RG      H5'2    6.00     (#)
17      RG      H1'     18      RG      H8      6.00     (#)
17      RG      H2'1    18      RG      H5'2    6.00     (#)
17      RG      H2'1    18      RG      H8      4.50     (#)
17      RG      H3'     18      RG      H8      6.00     (#)
18      RG      H1'     17      RG      H2'1    6.00     (#)
18      RG      H5'1    17      RG      H2'1    6.00     (#)
18      RG      H1'     18      RG      H8      6.00     (#)
18      RG      H2'1    18      RG      H8      6.00     (#)
18      RG      H3'     18      RG      H1'     6.00     (#)
18      RG      H3'     18      RG      H8      4.50     (#)
18      RG      H4'     18      RG      H1'     6.00     (#)
18      RG      H4'     18      RG      H8      6.00     (#)
18      RG      H5'1    18      RG      H1'     6.00     (#)
18      RG      H5'1    18      RG      H8      6.00     (#)
18      RG      H5'2    18      RG      H1'     6.00     (#)
18      RG      H8      18      RG      H5'2    6.00     (#)
18      RG      H1'     19      RU      H6      6.00     (#)
18      RG      H2'1    19      RU      H5      4.50     (#)
18      RG      H2'1    19      RU      H6      3.00     (#)
18      RG      H3'     19      RU      H5      6.00     (#)
18      RG      H3'     19      RU      H6      6.00     (#)
18      RG      H8      19      RU      H6      6.00     (#)
19      RU      H1'     6       RA      H2      6.00     (#)
19      RU      H5      18      RG      H1'     6.00     (#)
19      RU      H5      18      RG      H8      6.00     (#)
19      RU      H1'     19      RU      H5      6.00     (#)
19      RU      H1'     19      RU      H6      4.50     (#)
19      RU      H3'     19      RU      H5      6.00     (#)
19      RU      H3'     19      RU      H6      4.50     (#)
19      RU      H4'     19      RU      H1'     6.00     (#)
19      RU      H4'     19      RU      H6      6.00     (#)
19      RU      H5'1    19      RU      H1'     6.00     (#)
19      RU      H5'1    19      RU      H6      6.00     (#)
19      RU      H5'2    19      RU      H1'     6.00     (#)
19      RU      H5'2    19      RU      H6      6.00     (#)
19      RU      H6      19      RU      H2'1    6.00     (#)
19      RU      H2'1    20      RG      H5'2    6.00     (#)
19      RU      H2'1    20      RG      H8      3.00     (#)
19      RU      H4'     20      RG      H8      6.00     (#)
20      RG      H1'     6       RA      H2      4.50     (#)
20      RG      H8      6       RA      H2      6.00     (#)
20      RG      H5'1    19      RU      H1'     6.00     (#)
20      RG      H5'1    19      RU      H2'1    6.00     (#)
20      RG      H8      19      RU      H1'     6.00     (#)
20      RG      H8      19      RU      H3'     4.50     (#)
20      RG      H2'1    20      RG      H8      6.00     (#)
20      RG      H3'     20      RG      H1'     6.00     (#)
20      RG      H3'     20      RG      H8      6.00     (#)
20      RG      H4'     20      RG      H1'     6.00     (#)
20      RG      H4'     20      RG      H8      6.00     (#)
20      RG      H5'1    20      RG      H8      6.00     (#)
20      RG      H5'2    20      RG      H1'     6.00     (#)
20      RG      H5'2    20      RG      H3'     4.50     (#)
20      RG      H8      20      RG      H1'     6.00     (#)
20      RG      H8      20      RG      H5'2    6.00     (#)
20      RG      H1'     21      RA      H8      6.00     (#)
20      RG      H2'1    21      RA      H8      4.50     (#)
20      RG      H8      21      RA      H8      6.00     (#)
21      RA      H1'     21      RA      H2      6.00     (#)
21      RA      H1'     21      RA      H8      6.00     (#)
21      RA      H2      21      RA      H2'1    6.00     (#)
21      RA      H2'1    21      RA      H8      6.00     (#)
21      RA      H3'     21      RA      H1'     6.00     (#)
21      RA      H3'     21      RA      H8      4.50     (#)
21      RA      H4'     21      RA      H1'     6.00     (#)
21      RA      H4'     21      RA      H8      6.00     (#)
21      RA      H5'1    21      RA      H1'     6.00     (#)
21      RA      H5'1    21      RA      H8      6.00     (#)
21      RA      H5'2    21      RA      H1'     6.00     (#)
21      RA      H8      21      RA      H5'2    6.00     (#)
21      RA      H1'     22      RG      H8      6.00     (#)
21      RA      H2      22      RG      H8      6.00     (#)
21      RA      H2'1    22      RG      H1'     6.00     (#)
21      RA      H2'1    22      RG      H4'     6.00     (#)
21      RA      H2'1    22      RG      H8      3.00     (#)
21      RA      H3'     22      RG      H8      6.00     (#)
22      RG      QH2     4       RU      H6      6.00     (#)
22      RG      H1'     21      RA      H2      4.50     (#)
22      RG      H8      21      RA      H8      6.00     (#)
22      RG      H1'     22      RG      H3'     6.00     (#)
22      RG      H1'     22      RG      H4'     4.50     (#)
22      RG      H1'     22      RG      H8      6.00     (#)
22      RG      H2'1    22      RG      H8      6.00     (#)
22      RG      H3'     22      RG      H8      6.00     (#)
22      RG      H5'1    22      RG      H1'     6.00     (#)
22      RG      H5'2    22      RG      H1'     6.00     (#)
22      RG      H8      22      RG      H4'     6.00     (#)
22      RG      H8      22      RG      H5'1    6.00     (#)
22      RG      H8      22      RG      H5'2    6.00     (#)
22      RG      H1'     23      RC      H6      6.00     (#)
22      RG      H2'1    23      RC      H5      6.00     (#)
22      RG      H2'1    23      RC      H6      3.00     (#)
22      RG      H3'     23      RC      H5      6.00     (#)
22      RG      H3'     23      RC      H6      6.00     (#)
22      RG      H4'     23      RC      H5      6.00     (#)
22      RG      H5'1    23      RC      H5      6.00     (#)
22      RG      H5'1    23      RC      H6      6.00     (#)
22      RG      H5'2    23      RC      H5      6.00     (#)
22      RG      H5'2    23      RC      H6      6.00     (#)
22      RG      H8      23      RC      H6      6.00     (#)
22      RG      QH2     23      RC      H6      6.00     (#)
23      RC      H1'     22      RG      H2'1    4.50     (#)
23      RC      H1'     22      RG      QH2     4.50     (#)
23      RC      H5      22      RG      H8      6.00     (#)
23      RC      H1'     23      RC      H5'2    6.00     (#)
23      RC      H1'     23      RC      H6      4.50     (#)
23      RC      H3'     23      RC      H1'     6.00     (#)
23      RC      H3'     23      RC      H5      6.00     (#)
23      RC      H3'     23      RC      H5'2    4.50     (#)
23      RC      H3'     23      RC      H6      3.00     (#)
23      RC      H4'     23      RC      H1'     6.00     (#)
23      RC      H4'     23      RC      H6      4.50     (#)
23      RC      H5      23      RC      H1'     6.00     (#)
23      RC      H5'1    23      RC      H1'     6.00     (#)
23      RC      H6      23      RC      H2'1    4.50     (#)
23      RC      H1'     24      RC      H6      6.00     (#)
23      RC      H2'1    24      RC      H6      3.00     (#)
23      RC      H5      24      RC      H5      6.00     (#)
23      RC      H6      24      RC      H5      6.00     (#)
24      RC      H5      23      RC      H2'1    4.50     (#)
24      RC      H5      23      RC      H3'     6.00     (#)
24      RC      H6      23      RC      H3'     4.50     (#)
24      RC      H6      23      RC      H5      6.00     (#)
24      RC      H1'     24      RC      H6      4.50     (#)
24      RC      H2'1    24      RC      H5      6.00     (#)
24      RC      H2'1    24      RC      H6      4.50     (#)
24      RC      H3'     24      RC      H5      6.00     (#)
24      RC      H3'     24      RC      H6      3.00     (#)
24      RC      H4'     24      RC      H1'     4.50     (#)
24      RC      H4'     24      RC      H6      4.50     (#)
24      RC      H5      24      RC      H1'     6.00     (#)
24      RC      H5'1    24      RC      H4'     3.00     (#)
24      RC      H5'1    24      RC      H6      6.00     (#)
24      RC      H5'2    24      RC      H6      6.00     (#)

# Hydrogen bond restraints
1      RG      O6      24      RC      H42     1.70     2.20     (#)
1      RG      O6      24      RC      N4      2.70     3.20     (#)
1      RG      H1      24      RC      N3      1.70     2.20     (#)
1      RG      N1      24      RC      N3      2.70     3.20     (#)
1      RG      H21     24      RC      O2      1.70     2.20     (#)
1      RG      N2      24      RC      O2      2.70     3.20     (#)
2      RG      O6      23      RC      H42     1.70     2.20     (#)
2      RG      O6      23      RC      N4      2.70     3.20     (#)
2      RG      H1      23      RC      N3      1.70     2.20     (#)
2      RG      N1      23      RC      N3      2.70     3.20     (#)
2      RG      H21     23      RC      O2      1.70     2.20     (#)
2      RG      N2      23      RC      O2      2.70     3.20     (#)
3      RU      H3      22      RG      O6      1.70     2.20     (#)
3      RU      N3      22      RG      O6      2.70     3.20     (#)
3      RU      O2      22      RG      H1      1.70     2.20     (#)
3      RU      O2      22      RG      N1      2.70     3.20     (#)
4      RU      H3      21      RA      N1      1.70     2.20     (#)
4      RU      N3      21      RA      N1      2.70     3.20     (#)
4      RU      O4      21      RA      H61     1.70     2.20     (#)
4      RU      O4      21      RA      N6      2.70     3.20     (#)
4      RU      O2      21      RA      H2      2.95     3.45     (#)
5      RC      H42     20      RG      O6      1.70     2.20     (#)
5      RC      N4      20      RG      O6      2.70     3.20     (#)
5      RC      N3      20      RG      H1      1.70     2.20     (#)
5      RC      N3      20      RG      N1      2.70     3.20     (#)
5      RC      O2      20      RG      H21     1.70     2.20     (#)
5      RC      O2      20      RG      N2      2.70     3.20     (#)
6      RA      N1      19      RU      H3      1.70     2.20     (#)
6      RA      N1      19      RU      N3      2.70     3.20     (#)
6      RA      H61     19      RU      O4      1.70     2.20     (#)
6      RA      N6      19      RU      O4      2.70     3.20     (#)
6      RA      H2      19      RU      O2      2.95     3.45     (#)
7      RC      H42     18      RG      O6      1.70     2.20     (#)
7      RC      N4      18      RG      O6      2.70     3.20     (#)
7      RC      N3      18      RG      H1      1.70     2.20     (#)
7      RC      N3      18      RG      N1      2.70     3.20     (#)
7      RC      O2      18      RG      H21     1.70     2.20     (#)
7      RC      O2      18      RG      N2      2.70     3.20     (#)
8      RC      H42     17      RG      O6      1.70     2.20     (#)
8      RC      N4      17      RG      O6      2.70     3.20     (#)
8      RC      N3      17      RG      H1      1.70     2.20     (#)
8      RC      N3      17      RG      N1      2.70     3.20     (#)
8      RC      O2      17      RG      H21     1.70     2.20     (#)
8      RC      O2      17      RG      N2      2.70     3.20     (#)
9      RU      H3      16      RG      O6      1.70     2.20     (#)
9      RU      N3      16      RG      O6      2.70     3.20     (#)
9      RU      O2      16      RG      H1      1.70     2.20     (#)
9      RU      O2      16      RG      N1      2.70     3.20     (#)

# Sugar pucker torsion restraints
1 GUA NU0:  (1 RG C4')-(1 RG O4')-(1 RG C1')-(1 RG C2') -15.0  15.0
1 GUA NU1:  (1 RG O4')-(1 RG C1')-(1 RG C2')-(1 RG C3') -36.5  -6.5
1 GUA NU2:  (1 RG C1')-(1 RG C2')-(1 RG C3')-(1 RG C4')  19.8  49.8
1 GUA NU3:  (1 RG C2')-(1 RG C3')-(1 RG C4')-(1 RG O4') -49.8 -19.8
1 GUA NU4:  (1 RG C3')-(1 RG C4')-(1 RG O4')-(1 RG C1')   6.5  36.5
2 GUA NU0:  (2 RG C4')-(2 RG O4')-(2 RG C1')-(2 RG C2') -15.0  15.0
2 GUA NU1:  (2 RG O4')-(2 RG C1')-(2 RG C2')-(2 RG C3') -36.5  -6.5
2 GUA NU2:  (2 RG C1')-(2 RG C2')-(2 RG C3')-(2 RG C4')  19.8  49.8
2 GUA NU3:  (2 RG C2')-(2 RG C3')-(2 RG C4')-(2 RG O4') -49.8 -19.8
2 GUA NU4:  (2 RG C3')-(2 RG C4')-(2 RG O4')-(2 RG C1')   6.5  36.5
3 URA NU0:  (3 RU C4')-(3 RU O4')-(3 RU C1')-(3 RU C2') -15.0  15.0
3 URA NU1:  (3 RU O4')-(3 RU C1')-(3 RU C2')-(3 RU C3') -36.5  -6.5
3 URA NU2:  (3 RU C1')-(3 RU C2')-(3 RU C3')-(3 RU C4')  19.8  49.8
3 URA NU3:  (3 RU C2')-(3 RU C3')-(3 RU C4')-(3 RU O4') -49.8 -19.8
3 URA NU4:  (3 RU C3')-(3 RU C4')-(3 RU O4')-(3 RU C1')   6.5  36.5
4 URA NU0:  (4 RU C4')-(4 RU O4')-(4 RU C1')-(4 RU C2') -15.0  15.0
4 URA NU1:  (4 RU O4')-(4 RU C1')-(4 RU C2')-(4 RU C3') -36.5  -6.5
4 URA NU2:  (4 RU C1')-(4 RU C2')-(4 RU C3')-(4 RU C4')  19.8  49.8
4 URA NU3:  (4 RU C2')-(4 RU C3')-(4 RU C4')-(4 RU O4') -49.8 -19.8
4 URA NU4:  (4 RU C3')-(4 RU C4')-(4 RU O4')-(4 RU C1')   6.5  36.5
5 CYT NU0:  (5 RC C4')-(5 RC O4')-(5 RC C1')-(5 RC C2') -15.0  15.0
5 CYT NU1:  (5 RC O4')-(5 RC C1')-(5 RC C2')-(5 RC C3') -36.5  -6.5
5 CYT NU2:  (5 RC C1')-(5 RC C2')-(5 RC C3')-(5 RC C4')  19.8  49.8
5 CYT NU3:  (5 RC C2')-(5 RC C3')-(5 RC C4')-(5 RC O4') -49.8 -19.8
5 CYT NU4:  (5 RC C3')-(5 RC C4')-(5 RC O4')-(5 RC C1')   6.5  36.5
6 ADE NU0:  (6 RA C4')-(6 RA O4')-(6 RA C1')-(6 RA C2') -15.0  15.0
6 ADE NU1:  (6 RA O4')-(6 RA C1')-(6 RA C2')-(6 RA C3') -36.5  -6.5
6 ADE NU2:  (6 RA C1')-(6 RA C2')-(6 RA C3')-(6 RA C4')  19.8  49.8
6 ADE NU3:  (6 RA C2')-(6 RA C3')-(6 RA C4')-(6 RA O4') -49.8 -19.8
6 ADE NU4:  (6 RA C3')-(6 RA C4')-(6 RA O4')-(6 RA C1')   6.5  36.5
7 CYT NU0:  (7 RC C4')-(7 RC O4')-(7 RC C1')-(7 RC C2') -15.0  15.0
7 CYT NU1:  (7 RC O4')-(7 RC C1')-(7 RC C2')-(7 RC C3') -36.5  -6.5
7 CYT NU2:  (7 RC C1')-(7 RC C2')-(7 RC C3')-(7 RC C4')  19.8  49.8
7 CYT NU3:  (7 RC C2')-(7 RC C3')-(7 RC C4')-(7 RC O4') -49.8 -19.8
7 CYT NU4:  (7 RC C3')-(7 RC C4')-(7 RC O4')-(7 RC C1')   6.5  36.5
8 CYT NU0:  (8 RC C4')-(8 RC O4')-(8 RC C1')-(8 RC C2') -15.0  15.0
8 CYT NU1:  (8 RC O4')-(8 RC C1')-(8 RC C2')-(8 RC C3') -36.5  -6.5
8 CYT NU2:  (8 RC C1')-(8 RC C2')-(8 RC C3')-(8 RC C4')  19.8  49.8
8 CYT NU3:  (8 RC C2')-(8 RC C3')-(8 RC C4')-(8 RC O4') -49.8 -19.8
8 CYT NU4:  (8 RC C3')-(8 RC C4')-(8 RC O4')-(8 RC C1')   6.5  36.5
9 URA NU0:  (9 RU C4')-(9 RU O4')-(9 RU C1')-(9 RU C2') -15.0  15.0
9 URA NU1:  (9 RU O4')-(9 RU C1')-(9 RU C2')-(9 RU C3') -36.5  -6.5
9 URA NU2:  (9 RU C1')-(9 RU C2')-(9 RU C3')-(9 RU C4')  19.8  49.8
9 URA NU3:  (9 RU C2')-(9 RU C3')-(9 RU C4')-(9 RU O4') -49.8 -19.8
9 URA NU4:  (9 RU C3')-(9 RU C4')-(9 RU O4')-(9 RU C1')   6.5  36.5
10 CYT NU0:  (10 RC C4')-(10 RC O4')-(10 RC C1')-(10 RC C2') -15.0  15.0
10 CYT NU1:  (10 RC O4')-(10 RC C1')-(10 RC C2')-(10 RC C3') -36.5  -6.5
10 CYT NU2:  (10 RC C1')-(10 RC C2')-(10 RC C3')-(10 RC C4')  19.8  49.8
10 CYT NU3:  (10 RC C2')-(10 RC C3')-(10 RC C4')-(10 RC O4') -49.8 -19.8
10 CYT NU4:  (10 RC C3')-(10 RC C4')-(10 RC O4')-(10 RC C1')   6.5  36.5
11 URA NU0:  (11 RU C4')-(11 RU O4')-(11 RU C1')-(11 RU C2') -15.0  15.0
11 URA NU1:  (11 RU O4')-(11 RU C1')-(11 RU C2')-(11 RU C3') -36.5  -6.5
11 URA NU2:  (11 RU C1')-(11 RU C2')-(11 RU C3')-(11 RU C4')  19.8  49.8
11 URA NU3:  (11 RU C2')-(11 RU C3')-(11 RU C4')-(11 RU O4') -49.8 -19.8
11 URA NU4:  (11 RU C3')-(11 RU C4')-(11 RU O4')-(11 RU C1')   6.5  36.5
12 ADE NU0:  (12 RA C4')-(12 RA O4')-(12 RA C1')-(12 RA C2') -15.0  15.0
12 ADE NU1:  (12 RA O4')-(12 RA C1')-(12 RA C2')-(12 RA C3') -36.5  -6.5
12 ADE NU2:  (12 RA C1')-(12 RA C2')-(12 RA C3')-(12 RA C4')  19.8  49.8
12 ADE NU3:  (12 RA C2')-(12 RA C3')-(12 RA C4')-(12 RA O4') -49.8 -19.8
12 ADE NU4:  (12 RA C3')-(12 RA C4')-(12 RA O4')-(12 RA C1')   6.5  36.5
13 ADE NU0:  (13 RA C4')-(13 RA O4')-(13 RA C1')-(13 RA C2') -15.0  15.0
13 ADE NU1:  (13 RA O4')-(13 RA C1')-(13 RA C2')-(13 RA C3') -36.5  -6.5
13 ADE NU2:  (13 RA C1')-(13 RA C2')-(13 RA C3')-(13 RA C4')  19.8  49.8
13 ADE NU3:  (13 RA C2')-(13 RA C3')-(13 RA C4')-(13 RA O4') -49.8 -19.8
13 ADE NU4:  (13 RA C3')-(13 RA C4')-(13 RA O4')-(13 RA C1')   6.5  36.5
14 CYT NU0:  (14 RC C4')-(14 RC O4')-(14 RC C1')-(14 RC C2') -15.0  15.0
14 CYT NU1:  (14 RC O4')-(14 RC C1')-(14 RC C2')-(14 RC C3') -36.5  -6.5
14 CYT NU2:  (14 RC C1')-(14 RC C2')-(14 RC C3')-(14 RC C4')  19.8  49.8
14 CYT NU3:  (14 RC C2')-(14 RC C3')-(14 RC C4')-(14 RC O4') -49.8 -19.8
14 CYT NU4:  (14 RC C3')-(14 RC C4')-(14 RC O4')-(14 RC C1')   6.5  36.5
15 CYT NU0:  (15 RC C4')-(15 RC O4')-(15 RC C1')-(15 RC C2') -15.0  15.0
15 CYT NU1:  (15 RC O4')-(15 RC C1')-(15 RC C2')-(15 RC C3') -36.5  -6.5
15 CYT NU2:  (15 RC C1')-(15 RC C2')-(15 RC C3')-(15 RC C4')  19.8  49.8
15 CYT NU3:  (15 RC C2')-(15 RC C3')-(15 RC C4')-(15 RC O4') -49.8 -19.8
15 CYT NU4:  (15 RC C3')-(15 RC C4')-(15 RC O4')-(15 RC C1')   6.5  36.5
16 GUA NU0:  (16 RG C4')-(16 RG O4')-(16 RG C1')-(16 RG C2') -15.0  15.0
16 GUA NU1:  (16 RG O4')-(16 RG C1')-(16 RG C2')-(16 RG C3') -36.5  -6.5
16 GUA NU2:  (16 RG C1')-(16 RG C2')-(16 RG C3')-(16 RG C4')  19.8  49.8
16 GUA NU3:  (16 RG C2')-(16 RG C3')-(16 RG C4')-(16 RG O4') -49.8 -19.8
16 GUA NU4:  (16 RG C3')-(16 RG C4')-(16 RG O4')-(16 RG C1')   6.5  36.5
17 GUA NU0:  (17 RG C4')-(17 RG O4')-(17 RG C1')-(17 RG C2') -15.0  15.0
17 GUA NU1:  (17 RG O4')-(17 RG C1')-(17 RG C2')-(17 RG C3') -36.5  -6.5
17 GUA NU2:  (17 RG C1')-(17 RG C2')-(17 RG C3')-(17 RG C4')  19.8  49.8
17 GUA NU3:  (17 RG C2')-(17 RG C3')-(17 RG C4')-(17 RG O4') -49.8 -19.8
17 GUA NU4:  (17 RG C3')-(17 RG C4')-(17 RG O4')-(17 RG C1')   6.5  36.5
18 GUA NU0:  (18 RG C4')-(18 RG O4')-(18 RG C1')-(18 RG C2') -15.0  15.0
18 GUA NU1:  (18 RG O4')-(18 RG C1')-(18 RG C2')-(18 RG C3') -36.5  -6.5
18 GUA NU2:  (18 RG C1')-(18 RG C2')-(18 RG C3')-(18 RG C4')  19.8  49.8
18 GUA NU3:  (18 RG C2')-(18 RG C3')-(18 RG C4')-(18 RG O4') -49.8 -19.8
18 GUA NU4:  (18 RG C3')-(18 RG C4')-(18 RG O4')-(18 RG C1')   6.5  36.5
19 URA NU0:  (19 RU C4')-(19 RU O4')-(19 RU C1')-(19 RU C2') -15.0  15.0
19 URA NU1:  (19 RU O4')-(19 RU C1')-(19 RU C2')-(19 RU C3') -36.5  -6.5
19 URA NU2:  (19 RU C1')-(19 RU C2')-(19 RU C3')-(19 RU C4')  19.8  49.8
19 URA NU3:  (19 RU C2')-(19 RU C3')-(19 RU C4')-(19 RU O4') -49.8 -19.8
19 URA NU4:  (19 RU C3')-(19 RU C4')-(19 RU O4')-(19 RU C1')   6.5  36.5
20 GUA NU0:  (20 RG C4')-(20 RG O4')-(20 RG C1')-(20 RG C2') -15.0  15.0
20 GUA NU1:  (20 RG O4')-(20 RG C1')-(20 RG C2')-(20 RG C3') -36.5  -6.5
20 GUA NU2:  (20 RG C1')-(20 RG C2')-(20 RG C3')-(20 RG C4')  19.8  49.8
20 GUA NU3:  (20 RG C2')-(20 RG C3')-(20 RG C4')-(20 RG O4') -49.8 -19.8
20 GUA NU4:  (20 RG C3')-(20 RG C4')-(20 RG O4')-(20 RG C1')   6.5  36.5
21 ADE NU0:  (21 RA C4')-(21 RA O4')-(21 RA C1')-(21 RA C2') -15.0  15.0
21 ADE NU1:  (21 RA O4')-(21 RA C1')-(21 RA C2')-(21 RA C3') -36.5  -6.5
21 ADE NU2:  (21 RA C1')-(21 RA C2')-(21 RA C3')-(21 RA C4')  19.8  49.8
21 ADE NU3:  (21 RA C2')-(21 RA C3')-(21 RA C4')-(21 RA O4') -49.8 -19.8
21 ADE NU4:  (21 RA C3')-(21 RA C4')-(21 RA O4')-(21 RA C1')   6.5  36.5
22 GUA NU0:  (22 RG C4')-(22 RG O4')-(22 RG C1')-(22 RG C2') -15.0  15.0
22 GUA NU1:  (22 RG O4')-(22 RG C1')-(22 RG C2')-(22 RG C3') -36.5  -6.5
22 GUA NU2:  (22 RG C1')-(22 RG C2')-(22 RG C3')-(22 RG C4')  19.8  49.8
22 GUA NU3:  (22 RG C2')-(22 RG C3')-(22 RG C4')-(22 RG O4') -49.8 -19.8
22 GUA NU4:  (22 RG C3')-(22 RG C4')-(22 RG O4')-(22 RG C1')   6.5  36.5
23 CYT NU0:  (23 RC C4')-(23 RC O4')-(23 RC C1')-(23 RC C2') -15.0  15.0
23 CYT NU1:  (23 RC O4')-(23 RC C1')-(23 RC C2')-(23 RC C3') -36.5  -6.5
23 CYT NU2:  (23 RC C1')-(23 RC C2')-(23 RC C3')-(23 RC C4')  19.8  49.8
23 CYT NU3:  (23 RC C2')-(23 RC C3')-(23 RC C4')-(23 RC O4') -49.8 -19.8
23 CYT NU4:  (23 RC C3')-(23 RC C4')-(23 RC O4')-(23 RC C1')   6.5  36.5
24 CYT NU0:  (24 RC C4')-(24 RC O4')-(24 RC C1')-(24 RC C2') -15.0  15.0
24 CYT NU1:  (24 RC O4')-(24 RC C1')-(24 RC C2')-(24 RC C3') -36.5  -6.5
24 CYT NU2:  (24 RC C1')-(24 RC C2')-(24 RC C3')-(24 RC C4')  19.8  49.8
24 CYT NU3:  (24 RC C2')-(24 RC C3')-(24 RC C4')-(24 RC O4') -49.8 -19.8
24 CYT NU4:  (24 RC C3')-(24 RC C4')-(24 RC O4')-(24 RC C1')   6.5  36.5

# Glycosidic bond torsion restraints
1 GUA CHI:  (1 RG O4')-(1 RG C1')-(1 RG N9)-(1 RG C4) 170.0 235.0
2 GUA CHI:  (2 RG O4')-(2 RG C1')-(2 RG N9)-(2 RG C4) 170.0 235.0
3 URA CHI:  (3 RU O4')-(3 RU C1')-(3 RU N1)-(3 RU C2) 170.0 235.0
4 URA CHI:  (4 RU O4')-(4 RU C1')-(4 RU N1)-(4 RU C2) 170.0 235.0
5 CYT CHI:  (5 RC O4')-(5 RC C1')-(5 RC N1)-(5 RC C2) 170.0 235.0
6 ADE CHI:  (6 RA O4')-(6 RA C1')-(6 RA N9)-(6 RA C4) 170.0 235.0
7 CYT CHI:  (7 RC O4')-(7 RC C1')-(7 RC N1)-(7 RC C2) 170.0 235.0
8 CYT CHI:  (8 RC O4')-(8 RC C1')-(8 RC N1)-(8 RC C2) 170.0 235.0
9 URA CHI:  (9 RU O4')-(9 RU C1')-(9 RU N1)-(9 RU C2) 170.0 235.0
16 GUA CHI:  (16 RG O4')-(16 RG C1')-(16 RG N9)-(16 RG C4) 170.0 235.0
17 GUA CHI:  (17 RG O4')-(17 RG C1')-(17 RG N9)-(17 RG C4) 170.0 235.0
18 GUA CHI:  (18 RG O4')-(18 RG C1')-(18 RG N9)-(18 RG C4) 170.0 235.0
19 URA CHI:  (19 RU O4')-(19 RU C1')-(19 RU N1)-(19 RU C2) 170.0 235.0
20 GUA CHI:  (20 RG O4')-(20 RG C1')-(20 RG N9)-(20 RG C4) 170.0 235.0
21 ADE CHI:  (21 RA O4')-(21 RA C1')-(21 RA N9)-(21 RA C4) 170.0 235.0
22 GUA CHI:  (22 RG O4')-(22 RG C1')-(22 RG N9)-(22 RG C4) 170.0 235.0
23 CYT CHI:  (23 RC O4')-(23 RC C1')-(23 RC N1)-(23 RC C2) 170.0 235.0
24 CYT CHI:  (24 RC O4')-(24 RC C1')-(24 RC N1)-(24 RC C2) 170.0 235.0


# Intermolecular NOEs originating from either the peptide or the RNA
7       RC      H3'     13      ALA     HA      6.00     (#)
7       RC      H3'     13      ALA     MB      6.00     (#)
7       RC      H5      13      ALA     HA      6.00     (#)
7       RC      H5      13      ALA     MB      4.50     (#)
7       RC      H6      13      ALA     HA      6.00     (#)
7       RC      H6      13      ALA     MB      6.00     (#)
8       RC      H5      13      ALA     HA      6.00     (#)
8       RC      H5      13      ALA     MB      6.00     (#)
8       RC      H6      13      ALA     MB      6.00     (#)
8       RC      H5      14      LYS     HA      6.00     (#)
8       RC      H3'     17      TYR     QE      6.00     (#)
9       RU      H5      14      LYS     HA      6.00     (#)
9       RU      H3'     17      TYR     QE      4.50     (#)
9       RU      H5'1    17      TYR     QE      6.00     (#)
9       RU      H5'2    17      TYR     QE      6.00     (#)
9       RU      H6      17      TYR     HB2     6.00     (#)
9       RU      H6      17      TYR     QD      6.00     (#)
9       RU      H6      17      TYR     QE      6.00     (#)
9       RU      H2'1    21      ARG     HD2     6.00     (#)
9       RU      H3'     21      ARG     HD2     6.00     (#)
10      RC      H5      17      TYR     QD      6.00     (#)
10      RC      H5      17      TYR     QE      6.00     (#)
10      RC      H6      17      TYR     QE      6.00     (#)
10      RC      H5      21      ARG     HD2     6.00     (#)
11      RU      H5      17      TYR     QE      6.00     (#)
11      RU      H5      21      ARG     HD2     6.00     (#)
11      RU      H5      21      ARG     HD3     6.00     (#)
11      RU      H5      21      ARG     HG2     6.00     (#)
11      RU      H5      21      ARG     QH      6.00     (#)
12      RA      H3'     25      ILE     MD      6.00     (#)
12      RA      H4'     25      ILE     HB      6.00     (#)
12      RA      H4'     25      ILE     HG12    6.00     (#)
12      RA      H4'     25      ILE     HG13    6.00     (#)
12      RA      H4'     25      ILE     MD      4.50     (#)
12      RA      H4'     25      ILE     MG2     6.00     (#)
12      RA      H5'1    25      ILE     HG12    6.00     (#)
12      RA      H5'1    25      ILE     HG13    6.00     (#)
12      RA      H5'1    25      ILE     MD      6.00     (#)
12      RA      H5'1    25      ILE     MG2     6.00     (#)
12      RA      H5'2    25      ILE     HG12    6.00     (#)
12      RA      H5'2    25      ILE     HG13    6.00     (#)
12      RA      H5'2    25      ILE     MD      6.00     (#)
12      RA      H5'2    25      ILE     MG2     6.00     (#)
13      ALA     MB      7       RC      H2'1    6.00     (#)
13      RA      H4'     18      LYS     HG2     6.00     (#)
13      RA      H4'     18      LYS     QE      6.00     (#)
13      RA      H5'1    18      LYS     HG2     6.00     (#)
13      RA      H5'1    18      LYS     QE      6.00     (#)
14      LYS     H       8       RC      H42     6.00     (#)
14      LYS     H       8       RC      H5      6.00     (#)
14      LYS     QE      8       RC      H41     6.00     (#)
16      ARG     QH      7       RC      H5'1    6.00     (#)


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  17.634  -9.508  10.674
    2   2H5*    G   1          2H5*        G   1  17.733  -7.799  11.175
    3    H4*    G   1           H4*        G   1  15.744  -8.220  12.671
    4    H3*    G   1           H3*        G   1  15.690  -7.500  10.006
    5    H2*    G   1          1H2*        G   1  13.444  -9.183   9.674
    6   2HO*    G   1          2HO*        G   1  14.668  -9.076   7.903
    7    H1*    G   1           H1*        G   1  15.354 -11.262  10.196
    8    H8     G   1           H8         G   1  13.573 -11.078  13.319
    9    H1     G   1           H1         G   1   9.806 -13.582   8.725
   10   1H2     G   1          1H2         G   1  10.603 -12.990   6.759
   11   2H2     G   1          2H2         G   1  12.159 -12.156   6.615
   12   1H5*    G   2          1H5*        G   2  14.169  -6.295   8.106
   13   2H5*    G   2          2H5*        G   2  13.020  -4.971   7.845
   14    H4*    G   2           H4*        G   2  12.815  -6.888   6.243
   15    H3*    G   2           H3*        G   2  10.417  -6.295   7.988
   16    H2*    G   2          1H2*        G   2   9.254  -7.869   6.586
   17   2HO*    G   2          2HO*        G   2  10.357  -7.269   4.545
   18    H1*    G   2           H1*        G   2  11.244  -9.730   6.668
   19    H8     G   2           H8         G   2  11.323  -8.521  10.175
   20    H1     G   2           H1         G   2   6.107 -12.070   8.770
   21   1H2     G   2          1H2         G   2   5.773 -11.931   6.555
   22   2H2     G   2          2H2         G   2   7.014 -11.185   5.536
   23   1H5*    U   3          1H5*        U   3   8.769  -5.980   4.348
   24   2H5*    U   3          2H5*        U   3   7.626  -4.634   4.217
   25    H4*    U   3           H4*        U   3   6.492  -6.781   3.901
   26    H3*    U   3           H3*        U   3   5.824  -5.430   6.528
   27    H2*    U   3          1H2*        U   3   4.003  -7.052   6.629
   28   2HO*    U   3          2HO*        U   3   3.438  -7.394   4.437
   29    H1*    U   3           H1*        U   3   5.696  -9.100   6.139
   30    H3     U   3           H3         U   3   4.826  -9.306  10.605
   31    H5     U   3           H5         U   3   7.990  -6.603  10.278
   32    H6     U   3           H6         U   3   7.718  -6.604   7.855
   33   1H5*    U   4          1H5*        U   4   2.538  -5.977   3.998
   34   2H5*    U   4          2H5*        U   4   1.315  -4.714   4.113
   35    H4*    U   4           H4*        U   4   0.355  -6.983   4.488
   36    H3*    U   4           H3*        U   4   0.373  -5.025   6.802
   37    H2*    U   4          1H2*        U   4  -1.070  -6.514   7.909
   38   2HO*    U   4          2HO*        U   4  -2.415  -7.114   6.102
   39    H1*    U   4           H1*        U   4   0.285  -8.783   7.144
   40    H3     U   4           H3         U   4   1.036  -8.724  11.603
   41    H5     U   4           H5         U   4   3.674  -5.855  10.100
   42    H6     U   4           H6         U   4   2.543  -5.988   7.936
   43   1H5*    C   5          1H5*        C   5  -4.325  -4.001   8.003
   44   2H5*    C   5          2H5*        C   5  -2.719  -4.376   8.647
   45    H4*    C   5           H4*        C   5  -4.782  -6.523   8.003
   46    H3*    C   5           H3*        C   5  -4.156  -4.968  10.518
   47    H2*    C   5          1H2*        C   5  -4.828  -6.915  11.761
   48   2HO*    C   5          2HO*        C   5  -6.472  -7.603  10.044
   49    H1*    C   5           H1*        C   5  -3.225  -8.560  10.333
   50   1H4     C   5          1H4         C   5   1.307  -5.382  13.782
   51   2H4     C   5          2H4         C   5   0.608  -6.602  14.850
   52    H5     C   5           H5         C   5   0.310  -4.835  11.646
   53    H6     C   5           H6         C   5  -1.410  -5.472  10.056
   54   1H5*    A   6          1H5*        A   6  -7.635  -6.684  11.292
   55   2H5*    A   6          2H5*        A   6  -8.784  -5.641  12.128
   56    H4*    A   6           H4*        A   6  -8.284  -7.665  13.441
   57    H3*    A   6           H3*        A   6  -7.232  -5.063  14.546
   58    H2*    A   6          1H2*        A   6  -6.821  -6.243  16.602
   59   2HO*    A   6          2HO*        A   6  -8.680  -7.671  16.536
   60    H1*    A   6           H1*        A   6  -5.548  -8.275  15.314
   61    H8     A   6           H8         A   6  -4.637  -5.234  13.283
   62   1H6     A   6          1H6         A   6  -0.241  -4.530  17.731
   63   2H6     A   6          2H6         A   6  -0.663  -4.014  16.095
   64    H2     A   6           H2         A   6  -3.232  -7.226  19.245
   65   1H5*    C   7          1H5*        C   7 -10.534  -4.810  19.027
   66   2H5*    C   7          2H5*        C   7  -9.137  -3.863  18.518
   67    H4*    C   7           H4*        C   7  -9.108  -6.492  20.030
   68    H3*    C   7           H3*        C   7  -8.123  -3.641  20.431
   69    H2*    C   7          1H2*        C   7  -6.693  -4.512  22.128
   70   2HO*    C   7          2HO*        C   7  -8.278  -6.254  22.789
   71    H1*    C   7           H1*        C   7  -5.819  -6.537  20.476
   72   1H4     C   7          1H4         C   7  -2.342  -1.669  17.892
   73   2H4     C   7          2H4         C   7  -1.682  -1.929  19.511
   74    H5     C   7           H5         C   7  -4.405  -2.756  17.180
   75    H6     C   7           H6         C   7  -6.178  -4.267  17.866
   76   1H5*    C   8          1H5*        C   8  -9.010  -4.573  24.161
   77   2H5*    C   8          2H5*        C   8  -9.727  -3.276  25.114
   78    H4*    C   8           H4*        C   8  -7.471  -4.248  25.852
   79    H3*    C   8           H3*        C   8  -7.800  -1.264  25.478
   80    H2*    C   8          1H2*        C   8  -5.676  -1.112  26.596
   81   2HO*    C   8          2HO*        C   8  -6.183  -2.837  28.182
   82    H1*    C   8           H1*        C   8  -4.608  -3.336  25.301
   83   1H4     C   8          1H4         C   8  -3.097   1.293  21.030
   84   2H4     C   8          2H4         C   8  -1.749   1.115  22.162
   85    H5     C   8           H5         C   8  -5.242   0.268  21.448
   86    H6     C   8           H6         C   8  -6.444  -1.310  22.894
   87   1H5*    U   9          1H5*        U   9  -7.700   1.543  29.033
   88   2H5*    U   9          2H5*        U   9  -7.224   1.240  27.354
   89    H4*    U   9           H4*        U   9  -5.350   0.681  29.688
   90    H3*    U   9           H3*        U   9  -5.884   3.238  28.178
   91    H2*    U   9          1H2*        U   9  -3.575   3.796  28.370
   92   2HO*    U   9          2HO*        U   9  -3.240   3.014  30.541
   93    H1*    U   9           H1*        U   9  -2.683   1.295  27.673
   94    H3     U   9           H3         U   9  -1.908   4.178  24.154
   95    H5     U   9           H5         U   9  -5.725   2.649  23.507
   96    H6     U   9           H6         U   9  -5.679   1.616  25.704
   97   1H5*    C  10          1H5*        C  10  -4.017   6.151  32.591
   98   2H5*    C  10          2H5*        C  10  -4.863   6.916  31.257
   99    H4*    C  10           H4*        C  10  -1.966   6.764  31.778
  100    H3*    C  10           H3*        C  10  -3.850   8.432  30.060
  101    H2*    C  10          1H2*        C  10  -1.941   9.494  29.182
  102   2HO*    C  10          2HO*        C  10  -0.888   9.501  31.414
  103    H1*    C  10           H1*        C  10  -0.430   7.110  29.169
  104   1H4     C  10          1H4         C  10  -3.170   6.758  23.271
  105   2H4     C  10          2H4         C  10  -1.672   7.677  23.140
  106    H5     C  10           H5         C  10  -4.090   6.168  25.457
  107    H6     C  10           H6         C  10  -3.696   6.288  27.866
  108   1H5*    U  11          1H5*        U  11  -2.359  11.752  31.326
  109   2H5*    U  11          2H5*        U  11  -3.648  12.799  31.960
  110    H4*    U  11           H4*        U  11  -2.767  13.861  29.980
  111    H3*    U  11           H3*        U  11  -5.375  12.427  29.385
  112    H2*    U  11          1H2*        U  11  -5.363  13.447  27.291
  113   2HO*    U  11          2HO*        U  11  -4.612  15.552  28.401
  114    H1*    U  11           H1*        U  11  -2.506  13.410  27.132
  115    H3     U  11           H3         U  11  -3.262  10.998  23.400
  116    H5     U  11           H5         U  11  -5.506   8.927  26.275
  117    H6     U  11           H6         U  11  -4.743  10.533  27.972
  118   1H5*    A  12          1H5*        A  12  -9.070  16.074  29.159
  119   2H5*    A  12          2H5*        A  12  -9.038  14.517  28.320
  120    H4*    A  12           H4*        A  12  -9.716  16.251  26.771
  121    H3*    A  12           H3*        A  12  -6.932  15.160  26.308
  122    H2*    A  12          1H2*        A  12  -6.801  16.554  24.372
  123   2HO*    A  12          2HO*        A  12  -9.129  16.090  23.813
  124    H1*    A  12           H1*        A  12  -7.937  18.776  25.490
  125    H8     A  12           H8         A  12  -5.963  17.502  28.361
  126   1H6     A  12          1H6         A  12  -1.729  19.866  27.165
  127   2H6     A  12          2H6         A  12  -1.268  20.655  25.650
  128    H2     A  12           H2         A  12  -4.398  20.239  22.737
  129   1H5*    A  13          1H5*        A  13  -5.581  12.576  23.024
  130   2H5*    A  13          2H5*        A  13  -5.201  13.600  24.431
  131    H4*    A  13           H4*        A  13  -5.692  14.820  21.699
  132    H3*    A  13           H3*        A  13  -3.107  13.717  22.822
  133    H2*    A  13          1H2*        A  13  -2.006  15.426  21.550
  134   2HO*    A  13          2HO*        A  13  -3.256  15.383  19.632
  135    H1*    A  13           H1*        A  13  -3.776  17.386  22.304
  136    H8     A  13           H8         A  13  -3.319  15.255  25.360
  137   1H6     A  13          1H6         A  13   0.900  17.395  26.958
  138   2H6     A  13          2H6         A  13   1.977  18.524  26.126
  139    H2     A  13           H2         A  13   0.502  19.349  22.172
  140   1H5*    C  14          1H5*        C  14  -0.163  12.457  18.866
  141   2H5*    C  14          2H5*        C  14   0.135  12.702  20.597
  142    H4*    C  14           H4*        C  14   0.169  14.833  18.407
  143    H3*    C  14           H3*        C  14   2.205  13.461  20.155
  144    H2*    C  14          1H2*        C  14   3.491  15.411  20.380
  145   2HO*    C  14          2HO*        C  14   2.985  16.131  18.095
  146    H1*    C  14           H1*        C  14   1.406  17.042  20.972
  147   1H4     C  14          1H4         C  14   1.744  13.732  26.591
  148   2H4     C  14          2H4         C  14   3.158  14.787  26.554
  149    H5     C  14           H5         C  14   0.288  13.497  24.666
  150    H6     C  14           H6         C  14  -0.058  14.159  22.367
  151   1H5*    C  15          1H5*        C  15   5.048  14.143  19.020
  152   2H5*    C  15          2H5*        C  15   6.092  12.796  18.538
  153    H4*    C  15           H4*        C  15   6.775  13.701  20.715
  154    H3*    C  15           H3*        C  15   5.485  10.962  20.884
  155    H2*    C  15          1H2*        C  15   6.223  10.940  23.174
  156   2HO*    C  15          2HO*        C  15   8.304  12.032  22.736
  157    H1*    C  15           H1*        C  15   5.415  13.524  23.658
  158   1H4     C  15          1H4         C  15  -0.060   9.932  24.025
  159   2H4     C  15          2H4         C  15   0.669   9.878  25.613
  160    H5     C  15           H5         C  15   1.076  10.797  22.098
  161    H6     C  15           H6         C  15   3.102  11.917  21.329
  162   1H5*    G  16          1H5*        G  16   7.951   7.185  22.212
  163   2H5*    G  16          2H5*        G  16   6.298   7.670  21.783
  164    H4*    G  16           H4*        G  16   7.551   8.394  24.457
  165    H3*    G  16           H3*        G  16   6.003   5.934  23.621
  166    H2*    G  16          1H2*        G  16   5.161   5.848  25.883
  167   2HO*    G  16          2HO*        G  16   7.265   6.794  26.780
  168    H1*    G  16           H1*        G  16   4.418   8.472  25.863
  169    H8     G  16           H8         G  16   3.833   7.813  22.306
  170    H1     G  16           H1         G  16  -0.236   4.396  25.963
  171   1H2     G  16          1H2         G  16   1.886   5.376  28.492
  172   2H2     G  16          2H2         G  16   0.439   4.464  28.068
  173   1H5*    G  17          1H5*        G  17   7.270   4.693  27.110
  174   2H5*    G  17          2H5*        G  17   8.128   3.149  27.029
  175    H4*    G  17           H4*        G  17   6.256   3.064  28.618
  176    H3*    G  17           H3*        G  17   5.963   1.377  26.123
  177    H2*    G  17          1H2*        G  17   4.047   0.391  27.176
  178   2HO*    G  17          2HO*        G  17   4.950   0.319  29.354
  179    H1*    G  17           H1*        G  17   3.018   2.782  28.037
  180    H8     G  17           H8         G  17   4.438   3.573  24.662
  181    H1     G  17           H1         G  17  -1.130   0.310  24.449
  182   1H2     G  17          1H2         G  17  -1.475  -0.646  26.419
  183   2H2     G  17          2H2         G  17  -0.395  -0.280  27.771
  184   1H5*    G  18          1H5*        G  18   6.060  -3.551  27.655
  185   2H5*    G  18          2H5*        G  18   5.688  -2.721  26.133
  186    H4*    G  18           H4*        G  18   3.764  -3.135  28.463
  187    H3*    G  18           H3*        G  18   3.983  -4.204  25.627
  188    H2*    G  18          1H2*        G  18   1.651  -4.723  25.826
  189   2HO*    G  18          2HO*        G  18   1.837  -5.284  28.209
  190    H1*    G  18           H1*        G  18   1.088  -2.257  26.938
  191    H8     G  18           H8         G  18   3.500  -1.182  24.412
  192    H1     G  18           H1         G  18  -2.041  -3.157  21.748
  193   1H2     G  18          1H2         G  18  -3.105  -4.457  23.207
  194   2H2     G  18          2H2         G  18  -2.464  -4.626  24.851
  195   1H5*    U  19          1H5*        U  19   2.026  -7.103  27.383
  196   2H5*    U  19          2H5*        U  19   2.524  -8.722  26.894
  197    H4*    U  19           H4*        U  19   0.144  -8.251  26.474
  198    H3*    U  19           H3*        U  19   1.800  -8.643  23.966
  199    H2*    U  19          1H2*        U  19  -0.399  -8.963  22.932
  200   2HO*    U  19          2HO*        U  19  -1.291  -9.944  25.037
  201    H1*    U  19           H1*        U  19  -1.403  -6.735  24.174
  202    H3     U  19           H3         U  19  -0.976  -5.798  19.712
  203    H5     U  19           H5         U  19   2.655  -4.664  21.436
  204    H6     U  19           H6         U  19   2.002  -5.804  23.503
  205   1H5*    G  20          1H5*        G  20  -1.192 -11.650  24.423
  206   2H5*    G  20          2H5*        G  20  -0.658 -13.212  23.805
  207    H4*    G  20           H4*        G  20  -2.798 -12.512  22.799
  208    H3*    G  20           H3*        G  20  -0.412 -12.570  20.932
  209    H2*    G  20          1H2*        G  20  -2.033 -12.441  19.168
  210   2HO*    G  20          2HO*        G  20  -3.736 -13.747  20.269
  211    H1*    G  20           H1*        G  20  -3.357 -10.374  20.344
  212    H8     G  20           H8         G  20   0.290  -9.857  21.169
  213    H1     G  20           H1         G  20  -1.284  -8.275  15.113
  214   1H2     G  20          1H2         G  20  -3.171  -9.318  14.575
  215   2H2     G  20          2H2         G  20  -4.049 -10.230  15.811
  216   1H5*    A  21          1H5*        A  21  -2.967 -15.279  19.409
  217   2H5*    A  21          2H5*        A  21  -2.163 -16.660  18.669
  218    H4*    A  21           H4*        A  21  -3.592 -15.389  17.097
  219    H3*    A  21           H3*        A  21  -0.624 -15.361  16.504
  220    H2*    A  21          1H2*        A  21  -1.332 -14.585  14.319
  221   2HO*    A  21          2HO*        A  21  -3.264 -15.787  14.021
  222    H1*    A  21           H1*        A  21  -3.014 -12.711  15.382
  223    H8     A  21           H8         A  21   0.033 -12.954  17.642
  224   1H6     A  21          1H6         A  21   2.541  -8.918  13.507
  225   2H6     A  21          2H6         A  21   2.832  -9.665  15.078
  226    H2     A  21           H2         A  21  -1.162 -10.372  11.857
  227   1H5*    G  22          1H5*        G  22  -0.446 -18.166  12.133
  228   2H5*    G  22          2H5*        G  22   0.167 -16.634  12.786
  229    H4*    G  22           H4*        G  22  -2.543 -16.876  11.425
  230    H3*    G  22           H3*        G  22   0.210 -16.450  10.316
  231    H2*    G  22          1H2*        G  22  -0.506 -14.691   8.905
  232   2HO*    G  22          2HO*        G  22  -2.679 -15.834   8.541
  233    H1*    G  22           H1*        G  22  -1.922 -13.345  10.767
  234    H8     G  22           H8         G  22   0.471 -14.513  13.226
  235    H1     G  22           H1         G  22   3.146 -10.335   9.140
  236   1H2     G  22          1H2         G  22   2.134 -10.461   7.222
  237   2H2     G  22          2H2         G  22   0.632 -11.379   7.069
  238   1H5*    C  23          1H5*        C  23  -1.203 -16.643   6.928
  239   2H5*    C  23          2H5*        C  23  -0.461 -17.874   5.892
  240    H4*    C  23           H4*        C  23   0.108 -15.704   5.016
  241    H3*    C  23           H3*        C  23   2.443 -16.913   6.537
  242    H2*    C  23          1H2*        C  23   3.754 -15.166   5.520
  243   2HO*    C  23          2HO*        C  23   2.442 -15.140   3.461
  244    H1*    C  23           H1*        C  23   1.955 -13.257   6.228
  245   1H4     C  23          1H4         C  23   4.695 -14.333  12.034
  246   2H4     C  23          2H4         C  23   5.622 -13.095  11.178
  247    H5     C  23           H5         C  23   3.044 -15.703  10.855
  248    H6     C  23           H6         C  23   1.789 -15.894   8.766
  249   1H5*    C  24          1H5*        C  24   3.988 -16.465   2.820
  250   2H5*    C  24          2H5*        C  24   5.017 -17.825   2.350
  251    H4*    C  24           H4*        C  24   6.267 -15.727   2.295
  252    H3*    C  24           H3*        C  24   7.098 -17.553   4.580
  253    H2*    C  24          1H2*        C  24   8.941 -16.051   4.875
  254   2HO*    C  24          2HO*        C  24   9.224 -15.655   2.511
  255    H1*    C  24           H1*        C  24   7.366 -13.797   4.648
  256   1H4     C  24          1H4         C  24   6.793 -16.095  10.811
  257   2H4     C  24          2H4         C  24   8.180 -14.997  10.675
  258    H5     C  24           H5         C  24   5.553 -16.756   8.764
  259    H6     C  24           H6         C  24   5.426 -16.406   6.346
  260   1H    GLU   8          1H        GLU   8 -10.108   9.916  11.602
  261   2H    GLU   8          2H        GLU   8  -8.775  10.587  12.249
  262   3H    GLU   8          3H        GLU   8  -9.842  11.524  11.407
  263    HA   GLU   8           HA       GLU   8  -9.375  10.400   9.382
  264   1HB   GLU   8          1HB       GLU   8  -8.009  12.372  10.119
  265   2HB   GLU   8          2HB       GLU   8  -6.754  11.264  10.668
  266   1HG   GLU   8          2HG       GLU   8  -6.408  12.336   8.396
  267   2HG   GLU   8          1HG       GLU   8  -6.250  10.584   8.436
  268    H    SER   9           H        SER   9  -7.478   9.041   8.299
  269    HA   SER   9           HA       SER   9  -7.644   7.005   7.442
  270   1HB   SER   9          2HB       SER   9  -9.861   5.871   8.728
  271   2HB   SER   9          1HB       SER   9 -10.073   7.593   9.002
  272    HG   SER   9           HG       SER   9  -9.849   7.946   6.758
  273    H    LYS  10           H        LYS  10  -7.072   6.845  10.780
  274    HA   LYS  10           HA       LYS  10  -5.905   4.147  10.729
  275   1HB   LYS  10          2HB       LYS  10  -6.549   5.864  13.132
  276   2HB   LYS  10          1HB       LYS  10  -5.358   4.578  13.015
  277   1HG   LYS  10          2HG       LYS  10  -5.256   7.391  11.918
  278   2HG   LYS  10          1HG       LYS  10  -4.233   6.665  13.154
  279   1HD   LYS  10          1HD       LYS  10  -3.235   5.154  11.432
  280   2HD   LYS  10          2HD       LYS  10  -4.181   5.971  10.178
  281   1HE   LYS  10          2HE       LYS  10  -2.173   7.312  12.044
  282   2HE   LYS  10          1HE       LYS  10  -1.837   6.829  10.378
  283   1HZ   LYS  10          1HZ       LYS  10  -3.529   8.398   9.627
  284   2HZ   LYS  10          2HZ       LYS  10  -2.428   9.186  10.539
  285   3HZ   LYS  10          3HZ       LYS  10  -3.888   8.834  11.167
  286    H    GLY  11           H        GLY  11  -7.350   2.530  10.507
  287   1HA   GLY  11          2HA       GLY  11  -9.721   2.248  12.261
  288   2HA   GLY  11          1HA       GLY  11  -8.990   0.993  11.262
  289    H    THR  12           H        THR  12  -6.509   2.525  13.008
  290    HA   THR  12           HA       THR  12  -5.850   0.210  14.490
  291    HB   THR  12           HB       THR  12  -4.093   1.480  15.513
  292    HG1  THR  12           HG1      THR  12  -3.977   3.741  15.182
  293   1HG2  THR  12          1HG2      THR  12  -3.770   0.948  13.116
  294   2HG2  THR  12          2HG2      THR  12  -2.934   2.434  13.598
  295   3HG2  THR  12          3HG2      THR  12  -4.438   2.527  12.669
  296    H    ALA  13           H        ALA  13  -5.639  -0.114  16.756
  297    HA   ALA  13           HA       ALA  13  -7.984   0.511  18.269
  298   1HB   ALA  13          1HB       ALA  13  -5.290  -0.578  19.176
  299   2HB   ALA  13          2HB       ALA  13  -6.653  -1.531  18.533
  300   3HB   ALA  13          3HB       ALA  13  -6.832  -0.675  20.068
  301    H    LYS  14           H        LYS  14  -4.856   2.148  18.039
  302    HA   LYS  14           HA       LYS  14  -5.065   3.851  20.354
  303   1HB   LYS  14          2HB       LYS  14  -3.653   4.335  17.685
  304   2HB   LYS  14          1HB       LYS  14  -3.543   5.380  19.106
  305   1HG   LYS  14          2HG       LYS  14  -2.762   3.328  20.412
  306   2HG   LYS  14          1HG       LYS  14  -2.559   2.511  18.855
  307   1HD   LYS  14          2HD       LYS  14  -0.902   4.181  18.161
  308   2HD   LYS  14          1HD       LYS  14  -1.264   5.180  19.581
  309   1HE   LYS  14          2HE       LYS  14  -0.663   2.695  20.703
  310   2HE   LYS  14          1HE       LYS  14   0.453   2.771  19.340
  311   1HZ   LYS  14          1HZ       LYS  14   1.425   3.742  21.327
  312   2HZ   LYS  14          2HZ       LYS  14   0.194   4.775  21.527
  313   3HZ   LYS  14          3HZ       LYS  14   1.208   4.951  20.245
  314    H    SER  15           H        SER  15  -6.057   4.509  16.977
  315    HA   SER  15           HA       SER  15  -7.130   7.119  17.685
  316   1HB   SER  15          2HB       SER  15  -7.465   5.447  15.181
  317   2HB   SER  15          1HB       SER  15  -8.048   7.116  15.376
  318    HG   SER  15           HG       SER  15  -5.353   6.207  15.595
  319    H    ARG  16           H        ARG  16  -8.670   3.924  17.342
  320    HA   ARG  16           HA       ARG  16 -11.382   4.891  17.900
  321   1HB   ARG  16          2HB       ARG  16  -9.992   2.217  18.000
  322   2HB   ARG  16          1HB       ARG  16 -11.519   2.409  18.867
  323   1HG   ARG  16          2HG       ARG  16 -12.679   3.173  16.865
  324   2HG   ARG  16          1HG       ARG  16 -11.183   3.091  15.914
  325   1HD   ARG  16          2HD       ARG  16 -12.484   0.731  17.339
  326   2HD   ARG  16          1HD       ARG  16 -12.691   1.101  15.616
  327    HE   ARG  16           HE       ARG  16 -10.031   1.022  15.681
  328   1HH1  ARG  16          1HH1      ARG  16 -12.140  -1.333  17.215
  329   2HH1  ARG  16          2HH1      ARG  16 -11.007  -2.605  16.817
  330   1HH2  ARG  16          1HH2      ARG  16  -8.740  -0.592  15.366
  331   2HH2  ARG  16          2HH2      ARG  16  -8.953  -2.122  16.182
  332    H    TYR  17           H        TYR  17  -8.751   3.708  20.055
  333    HA   TYR  17           HA       TYR  17 -10.227   4.105  22.451
  334   1HB   TYR  17          2HB       TYR  17  -8.065   2.860  22.265
  335   2HB   TYR  17          1HB       TYR  17  -7.219   4.406  22.139
  336    HD1  TYR  17           HD1      TYR  17  -9.620   2.454  24.243
  337    HD2  TYR  17           HD2      TYR  17  -6.586   5.525  24.182
  338    HE1  TYR  17           HE1      TYR  17  -9.739   2.630  26.731
  339    HE2  TYR  17           HE2      TYR  17  -6.672   5.650  26.676
  340    HH   TYR  17           HH       TYR  17  -7.619   4.759  28.618
  341    H    LYS  18           H        LYS  18  -8.194   6.418  20.629
  342    HA   LYS  18           HA       LYS  18  -8.547   8.688  22.306
  343   1HB   LYS  18          2HB       LYS  18  -6.997   8.417  20.330
  344   2HB   LYS  18          1HB       LYS  18  -8.386   8.696  19.269
  345   1HG   LYS  18          2HG       LYS  18  -8.719  10.938  20.343
  346   2HG   LYS  18          1HG       LYS  18  -7.297  10.624  21.366
  347   1HD   LYS  18          2HD       LYS  18  -5.927  10.326  19.280
  348   2HD   LYS  18          1HD       LYS  18  -7.350  10.776  18.314
  349   1HE   LYS  18          2HE       LYS  18  -7.419  12.987  19.378
  350   2HE   LYS  18          1HE       LYS  18  -6.115  12.520  20.483
  351   1HZ   LYS  18          1HZ       LYS  18  -4.635  12.285  18.614
  352   2HZ   LYS  18          2HZ       LYS  18  -5.247  13.797  18.624
  353   3HZ   LYS  18          3HZ       LYS  18  -5.809  12.705  17.533
  354    H    ALA  19           H        ALA  19 -10.696   7.550  19.657
  355    HA   ALA  19           HA       ALA  19 -12.701   9.572  20.019
  356   1HB   ALA  19          1HB       ALA  19 -14.150   8.131  18.755
  357   2HB   ALA  19          2HB       ALA  19 -13.156   6.704  19.096
  358   3HB   ALA  19          3HB       ALA  19 -12.523   8.003  18.058
  359    H    ARG  20           H        ARG  20 -12.325   6.361  21.551
  360    HA   ARG  20           HA       ARG  20 -14.610   6.495  23.270
  361   1HB   ARG  20          2HB       ARG  20 -13.000   4.489  22.667
  362   2HB   ARG  20          1HB       ARG  20 -12.078   5.044  24.072
  363   1HG   ARG  20          2HG       ARG  20 -14.304   4.932  25.374
  364   2HG   ARG  20          1HG       ARG  20 -14.976   4.086  23.977
  365   1HD   ARG  20          2HD       ARG  20 -12.494   3.199  25.512
  366   2HD   ARG  20          1HD       ARG  20 -14.130   2.644  25.888
  367    HE   ARG  20           HE       ARG  20 -13.985   1.962  23.270
  368   1HH1  ARG  20          1HH1      ARG  20 -11.695   1.320  25.841
  369   2HH1  ARG  20          2HH1      ARG  20 -11.269  -0.235  25.213
  370   1HH2  ARG  20          1HH2      ARG  20 -13.463  -0.076  22.552
  371   2HH2  ARG  20          2HH2      ARG  20 -12.270  -1.018  23.398
  372    H    ARG  21           H        ARG  21 -11.293   7.615  23.850
  373    HA   ARG  21           HA       ARG  21 -11.647   8.689  26.506
  374   1HB   ARG  21          2HB       ARG  21  -9.788   9.530  24.250
  375   2HB   ARG  21          1HB       ARG  21  -9.743  10.246  25.846
  376   1HG   ARG  21          2HG       ARG  21  -9.355   7.264  25.380
  377   2HG   ARG  21          1HG       ARG  21  -8.032   8.417  25.317
  378   1HD   ARG  21          2HD       ARG  21  -9.807   7.930  27.743
  379   2HD   ARG  21          1HD       ARG  21  -8.227   7.204  27.468
  380    HE   ARG  21           HE       ARG  21  -8.321  10.166  27.459
  381   1HH1  ARG  21          1HH1      ARG  21  -7.211   7.283  29.319
  382   2HH1  ARG  21          2HH1      ARG  21  -6.555   8.385  30.512
  383   1HH2  ARG  21          1HH2      ARG  21  -7.431  11.316  29.251
  384   2HH2  ARG  21          2HH2      ARG  21  -6.542  10.350  30.396
  385    H    ALA  22           H        ALA  22 -12.018  10.345  23.320
  386    HA   ALA  22           HA       ALA  22 -13.093  12.763  24.351
  387   1HB   ALA  22          1HB       ALA  22 -13.564  11.408  21.678
  388   2HB   ALA  22          2HB       ALA  22 -12.305  12.596  22.089
  389   3HB   ALA  22          3HB       ALA  22 -14.012  13.079  22.080
  390    H    GLU  23           H        GLU  23 -14.883   9.746  23.568
  391    HA   GLU  23           HA       GLU  23 -17.462  10.810  24.370
  392   1HB   GLU  23          2HB       GLU  23 -16.415   7.962  24.179
  393   2HB   GLU  23          1HB       GLU  23 -18.071   8.359  24.625
  394   1HG   GLU  23          2HG       GLU  23 -16.749   9.152  21.994
  395   2HG   GLU  23          1HG       GLU  23 -17.811   7.771  22.224
  396    H    LEU  24           H        LEU  24 -14.922   9.094  26.266
  397    HA   LEU  24           HA       LEU  24 -16.367   9.194  28.753
  398   1HB   LEU  24          2HB       LEU  24 -14.385   7.756  28.429
  399   2HB   LEU  24          1HB       LEU  24 -13.369   9.184  28.244
  400    HG   LEU  24           HG       LEU  24 -13.928   9.863  30.606
  401   1HD1  LEU  24          1HD1      LEU  24 -16.067   8.642  30.902
  402   2HD1  LEU  24          2HD1      LEU  24 -14.886   8.180  32.127
  403   3HD1  LEU  24          3HD1      LEU  24 -15.201   7.094  30.754
  404   1HD2  LEU  24          1HD2      LEU  24 -11.866   8.671  30.091
  405   2HD2  LEU  24          2HD2      LEU  24 -12.697   7.110  30.299
  406   3HD2  LEU  24          3HD2      LEU  24 -12.500   8.218  31.679
  407    H    ILE  25           H        ILE  25 -14.434  11.670  27.069
  408    HA   ILE  25           HA       ILE  25 -14.415  13.504  29.281
  409    HB   ILE  25           HB       ILE  25 -13.978  13.855  26.334
  410   1HG1  ILE  25          2HG1      ILE  25 -12.028  14.161  28.666
  411   2HG1  ILE  25          1HG1      ILE  25 -12.403  12.573  28.045
  412   1HG2  ILE  25          1HG2      ILE  25 -13.127  16.090  26.680
  413   2HG2  ILE  25          2HG2      ILE  25 -13.477  16.030  28.417
  414   3HG2  ILE  25          3HG2      ILE  25 -14.797  16.064  27.234
  415   1HD1  ILE  25          1HD1      ILE  25 -11.634  13.212  25.793
  416   2HD1  ILE  25          2HD1      ILE  25 -10.388  13.359  27.029
  417   3HD1  ILE  25          3HD1      ILE  25 -11.214  14.817  26.406
  418    H    ALA  26           H        ALA  26 -16.954  12.688  27.058
  419    HA   ALA  26           HA       ALA  26 -18.761  14.798  28.048
  420   1HB   ALA  26          1HB       ALA  26 -20.409  13.742  26.609
  421   2HB   ALA  26          2HB       ALA  26 -19.323  12.376  26.296
  422   3HB   ALA  26          3HB       ALA  26 -18.899  14.004  25.721
  423    H    GLU  27           H        GLU  27 -17.628  11.894  29.405
  424    HA   GLU  27           HA       GLU  27 -19.917  11.799  31.312
  425   1HB   GLU  27          2HB       GLU  27 -18.675   9.410  29.923
  426   2HB   GLU  27          1HB       GLU  27 -19.685   9.305  31.366
  427   1HG   GLU  27          2HG       GLU  27 -21.404  10.734  29.991
  428   2HG   GLU  27          1HG       GLU  27 -20.513  10.127  28.594
  429    H    ARG  28           H        ARG  28 -16.757  12.455  31.290
  430    HA   ARG  28           HA       ARG  28 -15.115  11.309  32.885
  431   1HB   ARG  28          2HB       ARG  28 -15.838  14.206  33.516
  432   2HB   ARG  28          1HB       ARG  28 -14.339  13.387  33.959
  433   1HG   ARG  28          2HG       ARG  28 -13.689  13.296  31.606
  434   2HG   ARG  28          1HG       ARG  28 -15.255  14.034  31.151
  435   1HD   ARG  28          2HD       ARG  28 -14.780  16.070  32.331
  436   2HD   ARG  28          1HD       ARG  28 -13.390  15.339  33.159
  437    HE   ARG  28           HE       ARG  28 -12.999  15.306  30.311
  438   1HH1  ARG  28          1HH1      ARG  28 -12.919  17.659  32.904
  439   2HH1  ARG  28          2HH1      ARG  28 -11.440  18.380  32.316
  440   1HH2  ARG  28          1HH2      ARG  28 -11.102  16.209  29.679
  441   2HH2  ARG  28          2HH2      ARG  28 -10.447  17.578  30.538
  442    H    ARG  29           H        ARG  29 -16.598  13.605  34.880
  443    HA   ARG  29           HA       ARG  29 -17.661  13.672  36.957
  444   1HB   ARG  29          2HB       ARG  29 -19.335  12.064  35.006
  445   2HB   ARG  29          1HB       ARG  29 -19.981  13.009  36.342
  446   1HG   ARG  29          2HG       ARG  29 -19.589  15.063  35.285
  447   2HG   ARG  29          1HG       ARG  29 -18.256  14.465  34.313
  448   1HD   ARG  29          1HD       ARG  29 -19.869  13.076  32.989
  449   2HD   ARG  29          2HD       ARG  29 -21.182  13.832  33.872
  450    HE   ARG  29           HE       ARG  29 -21.036  15.640  32.480
  451   1HH1  ARG  29          1HH1      ARG  29 -17.866  14.184  32.203
  452   2HH1  ARG  29          2HH1      ARG  29 -17.495  15.113  30.753
  453   1HH2  ARG  29          2HH2      ARG  29 -20.468  16.775  30.693
  454   2HH2  ARG  29          1HH2      ARG  29 -18.874  16.571  30.013
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  18.750 -15.571  13.078
    2   2H5*    G   1          2H5*        G   1  18.347 -17.125  13.820
    3    H4*    G   1           H4*        G   1  16.612 -15.426  14.177
    4    H3*    G   1           H3*        G   1  16.981 -14.670  11.524
    5    H2*    G   1          1H2*        G   1  14.372 -15.346  10.910
    6   2HO*    G   1          2HO*        G   1  16.769 -16.860  10.511
    7    H1*    G   1           H1*        G   1  14.780 -17.960  11.700
    8    H8     G   1           H8         G   1  13.838 -15.951  14.753
    9    H1     G   1           H1         G   1   8.912 -18.220  11.250
   10   1H2     G   1          1H2         G   1   9.641 -18.711   9.217
   11   2H2     G   1          2H2         G   1  11.355 -18.530   8.825
   12   1H5*    G   2          2H5*        G   2  14.134 -12.318   8.868
   13   2H5*    G   2          1H5*        G   2  14.348 -10.900   9.889
   14    H4*    G   2           H4*        G   2  12.811 -11.761  11.544
   15    H3*    G   2           H3*        G   2  10.867 -11.377  10.506
   16    H2*    G   2          1H2*        G   2  10.040 -12.835   8.836
   17   2HO*    G   2          2HO*        G   2  12.014 -12.329   7.406
   18    H1*    G   2           H1*        G   2  11.562 -14.985   9.510
   19    H8     G   2           H8         G   2  11.170 -13.523  12.860
   20    H1     G   2           H1         G   2   5.596 -15.912  10.632
   21   1H2     G   2          1H2         G   2   5.773 -16.194   8.441
   22   2H2     G   2          2H2         G   2   7.325 -15.923   7.635
   23   1H5*    U   3          1H5*        U   3  10.218 -11.132   6.709
   24   2H5*    U   3          2H5*        U   3   9.520  -9.581   6.220
   25    H4*    U   3           H4*        U   3   8.004 -11.443   5.713
   26    H3*    U   3           H3*        U   3   7.040  -9.625   7.933
   27    H2*    U   3          1H2*        U   3   4.943 -10.829   7.781
   28   2HO*    U   3          2HO*        U   3   5.156 -11.141   5.372
   29    H1*    U   3           H1*        U   3   6.155 -13.275   7.791
   30    H3     U   3           H3         U   3   4.254 -12.692  11.915
   31    H5     U   3           H5         U   3   8.032 -10.940  12.224
   32    H6     U   3           H6         U   3   8.326 -11.205   9.820
   33   1H5*    U   4          1H5*        U   4   3.920  -9.761   4.734
   34   2H5*    U   4          2H5*        U   4   3.218  -8.148   4.583
   35    H4*    U   4           H4*        U   4   1.493  -9.882   4.881
   36    H3*    U   4           H3*        U   4   1.770  -7.935   7.184
   37    H2*    U   4          1H2*        U   4  -0.247  -8.903   8.034
   38   2HO*    U   4          2HO*        U   4  -1.397  -9.155   6.044
   39    H1*    U   4           H1*        U   4   0.524 -11.491   7.507
   40    H3     U   4           H3         U   4   0.545 -11.137  12.042
   41    H5     U   4           H5         U   4   4.034  -9.150  10.880
   42    H6     U   4           H6         U   4   3.335  -9.350   8.545
   43   1H5*    C   5          1H5*        C   5  -2.926  -5.566   7.436
   44   2H5*    C   5          2H5*        C   5  -1.622  -5.997   8.551
   45    H4*    C   5           H4*        C   5  -3.942  -7.817   7.773
   46    H3*    C   5           H3*        C   5  -3.304  -6.150  10.219
   47    H2*    C   5          1H2*        C   5  -4.437  -7.807  11.559
   48   2HO*    C   5          2HO*        C   5  -5.976  -8.296   9.635
   49    H1*    C   5           H1*        C   5  -3.102  -9.892  10.441
   50   1H4     C   5          1H4         C   5   1.577  -7.106  14.113
   51   2H4     C   5          2H4         C   5   0.530  -8.026  15.203
   52    H5     C   5           H5         C   5   1.014  -6.813  11.773
   53    H6     C   5           H6         C   5  -0.610  -7.355  10.051
   54   1H5*    A   6          1H5*        A   6  -7.130  -7.266  11.087
   55   2H5*    A   6          2H5*        A   6  -8.123  -5.887  11.574
   56    H4*    A   6           H4*        A   6  -8.100  -7.684  13.276
   57    H3*    A   6           H3*        A   6  -6.826  -5.074  14.090
   58    H2*    A   6          1H2*        A   6  -6.705  -6.003  16.308
   59   2HO*    A   6          2HO*        A   6  -8.744  -7.104  16.340
   60    H1*    A   6           H1*        A   6  -5.759  -8.423  15.486
   61    H8     A   6           H8         A   6  -4.078  -5.944  13.204
   62   1H6     A   6          1H6         A   6  -0.192  -5.176  18.089
   63   2H6     A   6          2H6         A   6  -0.350  -4.825  16.362
   64    H2     A   6           H2         A   6  -3.648  -7.340  19.475
   65   1H5*    C   7          1H5*        C   7  -9.753  -3.372  18.029
   66   2H5*    C   7          2H5*        C   7  -8.028  -3.273  17.633
   67    H4*    C   7           H4*        C   7  -9.304  -5.466  19.331
   68    H3*    C   7           H3*        C   7  -7.950  -2.852  19.975
   69    H2*    C   7          1H2*        C   7  -6.824  -3.822  21.822
   70   2HO*    C   7          2HO*        C   7  -8.534  -5.173  22.600
   71    H1*    C   7           H1*        C   7  -6.031  -6.089  20.527
   72   1H4     C   7          1H4         C   7  -1.718  -1.969  17.901
   73   2H4     C   7          2H4         C   7  -1.287  -2.119  19.610
   74    H5     C   7           H5         C   7  -3.799  -2.933  17.033
   75    H6     C   7           H6         C   7  -5.790  -4.178  17.636
   76   1H5*    C   8          1H5*        C   8  -9.886  -2.246  25.082
   77   2H5*    C   8          2H5*        C   8  -8.598  -1.339  24.282
   78    H4*    C   8           H4*        C   8  -8.284  -3.886  25.935
   79    H3*    C   8           H3*        C   8  -7.691  -0.950  26.259
   80    H2*    C   8          1H2*        C   8  -5.566  -1.324  27.210
   81   2HO*    C   8          2HO*        C   8  -6.387  -3.190  28.532
   82    H1*    C   8           H1*        C   8  -4.783  -3.382  25.603
   83   1H4     C   8          1H4         C   8  -3.317   1.058  21.223
   84   2H4     C   8          2H4         C   8  -1.967   0.915  22.362
   85    H5     C   8           H5         C   8  -5.460   0.018  21.699
   86    H6     C   8           H6         C   8  -6.636  -1.434  23.234
   87   1H5*    U   9          1H5*        U   9  -7.599   1.547  29.732
   88   2H5*    U   9          2H5*        U   9  -7.178   1.284  28.033
   89    H4*    U   9           H4*        U   9  -5.244   0.840  30.353
   90    H3*    U   9           H3*        U   9  -5.762   3.245  28.593
   91    H2*    U   9          1H2*        U   9  -3.422   3.762  28.711
   92   2HO*    U   9          2HO*        U   9  -3.346   2.811  31.032
   93    H1*    U   9           H1*        U   9  -2.617   1.208  28.160
   94    H3     U   9           H3         U   9  -2.106   3.977  24.475
   95    H5     U   9           H5         U   9  -5.927   2.345  24.126
   96    H6     U   9           H6         U   9  -5.687   1.342  26.322
   97   1H5*    C  10          1H5*        C  10  -2.975   4.834  31.523
   98   2H5*    C  10          2H5*        C  10  -3.764   6.251  32.230
   99    H4*    C  10           H4*        C  10  -1.498   6.803  31.524
  100    H3*    C  10           H3*        C  10  -3.742   8.096  29.957
  101    H2*    C  10          1H2*        C  10  -2.112   9.389  28.818
  102   2HO*    C  10          2HO*        C  10  -0.856   9.610  30.964
  103    H1*    C  10           H1*        C  10  -0.213   7.351  28.650
  104   1H4     C  10          1H4         C  10  -3.787   6.057  23.374
  105   2H4     C  10          2H4         C  10  -2.440   7.098  22.915
  106    H5     C  10           H5         C  10  -4.421   5.812  25.725
  107    H6     C  10           H6         C  10  -3.620   6.141  28.011
  108   1H5*    U  11          1H5*        U  11  -2.214  11.714  30.530
  109   2H5*    U  11          2H5*        U  11  -3.491  12.707  31.258
  110    H4*    U  11           H4*        U  11  -2.996  13.668  29.121
  111    H3*    U  11           H3*        U  11  -5.517  11.993  28.949
  112    H2*    U  11          1H2*        U  11  -5.857  12.968  26.811
  113   2HO*    U  11          2HO*        U  11  -5.047  15.131  27.602
  114    H1*    U  11           H1*        U  11  -3.138  12.799  26.159
  115    H3     U  11           H3         U  11  -4.908   9.825  23.240
  116    H5     U  11           H5         U  11  -5.923   8.177  26.945
  117    H6     U  11           H6         U  11  -4.842  10.071  28.052
  118   1H5*    A  12          1H5*        A  12  -9.352  15.724  28.675
  119   2H5*    A  12          2H5*        A  12  -9.207  14.338  27.579
  120    H4*    A  12           H4*        A  12  -9.842  16.338  26.343
  121    H3*    A  12           H3*        A  12  -7.086  15.217  25.825
  122    H2*    A  12          1H2*        A  12  -6.759  16.887  24.152
  123   2HO*    A  12          2HO*        A  12  -9.055  16.670  23.374
  124    H1*    A  12           H1*        A  12  -7.870  18.963  25.541
  125    H8     A  12           H8         A  12  -6.002  17.139  28.201
  126   1H6     A  12          1H6         A  12  -1.619  19.427  27.416
  127   2H6     A  12          2H6         A  12  -1.128  20.478  26.080
  128    H2     A  12           H2         A  12  -4.261  20.775  23.168
  129   1H5*    A  13          1H5*        A  13  -5.285  13.332  22.864
  130   2H5*    A  13          2H5*        A  13  -5.341  14.313  24.347
  131    H4*    A  13           H4*        A  13  -5.389  15.925  21.862
  132    H3*    A  13           H3*        A  13  -3.005  14.166  22.481
  133    H2*    A  13          1H2*        A  13  -1.675  15.957  21.612
  134   2HO*    A  13          2HO*        A  13  -3.013  16.427  19.762
  135    H1*    A  13           H1*        A  13  -3.259  17.981  22.703
  136    H8     A  13           H8         A  13  -2.823  15.669  25.554
  137   1H6     A  13          1H6         A  13   1.615  17.444  27.059
  138   2H6     A  13          2H6         A  13   2.736  18.515  26.209
  139    H2     A  13           H2         A  13   1.231  19.479  22.303
  140   1H5*    C  14          1H5*        C  14  -0.334  13.359  18.341
  141   2H5*    C  14          2H5*        C  14  -0.128  13.484  20.095
  142    H4*    C  14           H4*        C  14   0.233  15.760  18.093
  143    H3*    C  14           H3*        C  14   2.115  14.050  19.738
  144    H2*    C  14          1H2*        C  14   3.630  15.861  19.872
  145   2HO*    C  14          2HO*        C  14   3.067  16.705  17.663
  146    H1*    C  14           H1*        C  14   1.723  17.613  20.672
  147   1H4     C  14          1H4         C  14   2.427  13.909  26.040
  148   2H4     C  14          2H4         C  14   3.842  14.958  25.947
  149    H5     C  14           H5         C  14   0.800  13.824  24.234
  150    H6     C  14           H6         C  14   0.268  14.662  22.019
  151   1H5*    C  15          1H5*        C  15   4.876  14.344  18.786
  152   2H5*    C  15          2H5*        C  15   5.827  12.948  18.261
  153    H4*    C  15           H4*        C  15   6.429  13.685  20.538
  154    H3*    C  15           H3*        C  15   5.032  11.000  20.415
  155    H2*    C  15          1H2*        C  15   5.635  10.779  22.741
  156   2HO*    C  15          2HO*        C  15   7.763  11.810  22.549
  157    H1*    C  15           H1*        C  15   4.863  13.327  23.383
  158   1H4     C  15          1H4         C  15  -0.619   9.687  23.027
  159   2H4     C  15          2H4         C  15   0.056   9.441  24.632
  160    H5     C  15           H5         C  15   0.581  10.900  21.289
  161    H6     C  15           H6         C  15   2.607  12.130  20.795
  162   1H5*    G  16          1H5*        G  16   7.980   7.277  21.963
  163   2H5*    G  16          2H5*        G  16   6.261   7.457  21.567
  164    H4*    G  16           H4*        G  16   7.452   8.393  24.212
  165    H3*    G  16           H3*        G  16   6.233   5.752  23.394
  166    H2*    G  16          1H2*        G  16   5.373   5.554  25.628
  167   2HO*    G  16          2HO*        G  16   7.299   6.487  26.676
  168    H1*    G  16           H1*        G  16   4.482   8.157  25.740
  169    H8     G  16           H8         G  16   3.743   7.269  22.218
  170    H1     G  16           H1         G  16  -0.230   4.304  26.347
  171   1H2     G  16          1H2         G  16   2.069   5.423  28.679
  172   2H2     G  16          2H2         G  16   0.556   4.564  28.422
  173   1H5*    G  17          1H5*        G  17   7.820   1.802  25.684
  174   2H5*    G  17          2H5*        G  17   6.401   2.375  24.791
  175    H4*    G  17           H4*        G  17   6.725   2.511  27.824
  176    H3*    G  17           H3*        G  17   5.357   0.580  25.940
  177    H2*    G  17          1H2*        G  17   3.621   0.257  27.553
  178   2HO*    G  17          2HO*        G  17   5.244   0.578  29.414
  179    H1*    G  17           H1*        G  17   3.190   2.905  27.933
  180    H8     G  17           H8         G  17   4.235   3.314  24.477
  181    H1     G  17           H1         G  17  -1.303   0.029  24.814
  182   1H2     G  17          1H2         G  17  -1.584  -0.732  26.851
  183   2H2     G  17          2H2         G  17  -0.424  -0.320  28.129
  184   1H5*    G  18          1H5*        G  18   4.749  -1.625  28.962
  185   2H5*    G  18          2H5*        G  18   5.421  -3.255  28.813
  186    H4*    G  18           H4*        G  18   2.994  -3.295  29.209
  187    H3*    G  18           H3*        G  18   3.842  -4.237  26.457
  188    H2*    G  18          1H2*        G  18   1.566  -4.974  26.200
  189   2HO*    G  18          2HO*        G  18   1.209  -5.786  28.332
  190    H1*    G  18           H1*        G  18   0.494  -2.685  27.256
  191    H8     G  18           H8         G  18   3.422  -1.645  25.094
  192    H1     G  18           H1         G  18  -2.005  -3.101  21.891
  193   1H2     G  18          1H2         G  18  -3.349  -4.234  23.288
  194   2H2     G  18          2H2         G  18  -2.844  -4.445  24.976
  195   1H5*    U  19          1H5*        U  19   2.305  -9.252  26.372
  196   2H5*    U  19          2H5*        U  19   2.360  -7.913  25.212
  197    H4*    U  19           H4*        U  19  -0.024  -8.543  27.009
  198    H3*    U  19           H3*        U  19   0.659  -9.225  24.143
  199    H2*    U  19          1H2*        U  19  -1.683  -9.037  23.595
  200   2HO*    U  19          2HO*        U  19  -2.264  -9.790  25.922
  201    H1*    U  19           H1*        U  19  -1.954  -6.615  24.778
  202    H3     U  19           H3         U  19  -1.368  -6.180  20.147
  203    H5     U  19           H5         U  19   2.215  -5.106  22.002
  204    H6     U  19           H6         U  19   1.407  -6.052  24.078
  205   1H5*    G  20          1H5*        G  20  -2.835 -11.442  24.799
  206   2H5*    G  20          2H5*        G  20  -2.552 -13.144  24.418
  207    H4*    G  20           H4*        G  20  -4.556 -12.298  23.299
  208    H3*    G  20           H3*        G  20  -2.243 -13.002  21.481
  209    H2*    G  20          1H2*        G  20  -3.796 -12.718  19.641
  210   2HO*    G  20          2HO*        G  20  -5.668 -13.520  21.101
  211    H1*    G  20           H1*        G  20  -4.694 -10.318  20.534
  212    H8     G  20           H8         G  20  -1.190 -10.136  21.725
  213    H1     G  20           H1         G  20  -1.718  -9.355  15.347
  214   1H2     G  20          1H2         G  20  -3.687 -10.130  14.684
  215   2H2     G  20          2H2         G  20  -4.829 -10.769  15.874
  216   1H5*    A  21          1H5*        A  21  -5.538 -15.173  19.935
  217   2H5*    A  21          2H5*        A  21  -5.069 -16.848  19.631
  218    H4*    A  21           H4*        A  21  -6.076 -15.835  17.643
  219    H3*    A  21           H3*        A  21  -3.116 -16.425  17.407
  220    H2*    A  21          1H2*        A  21  -3.366 -15.935  15.066
  221   2HO*    A  21          2HO*        A  21  -5.429 -16.893  14.699
  222    H1*    A  21           H1*        A  21  -4.812 -13.658  15.495
  223    H8     A  21           H8         A  21  -2.239 -13.946  18.281
  224   1H6     A  21          1H6         A  21   1.566 -11.152  14.154
  225   2H6     A  21          2H6         A  21   1.428 -11.653  15.836
  226    H2     A  21           H2         A  21  -2.047 -12.331  12.048
  227   1H5*    G  22          1H5*        G  22  -3.152 -20.109  13.535
  228   2H5*    G  22          2H5*        G  22  -2.092 -18.744  13.932
  229    H4*    G  22           H4*        G  22  -4.486 -18.615  12.044
  230    H3*    G  22           H3*        G  22  -1.509 -18.928  11.660
  231    H2*    G  22          1H2*        G  22  -1.508 -17.459   9.806
  232   2HO*    G  22          2HO*        G  22  -3.742 -18.324   9.125
  233    H1*    G  22           H1*        G  22  -3.059 -15.532  10.942
  234    H8     G  22           H8         G  22  -1.444 -16.433  14.063
  235    H1     G  22           H1         G  22   2.680 -13.582  10.023
  236   1H2     G  22          1H2         G  22   1.948 -13.828   7.946
  237   2H2     G  22          2H2         G  22   0.384 -14.586   7.655
  238   1H5*    C  23          1H5*        C  23  -1.925 -19.606   7.952
  239   2H5*    C  23          2H5*        C  23  -1.327 -21.187   7.456
  240    H4*    C  23           H4*        C  23  -0.056 -19.450   6.321
  241    H3*    C  23           H3*        C  23   1.574 -20.792   8.505
  242    H2*    C  23          1H2*        C  23   3.376 -19.395   7.950
  243   2HO*    C  23          2HO*        C  23   2.881 -19.659   5.561
  244    H1*    C  23           H1*        C  23   1.897 -17.111   7.456
  245   1H4     C  23          1H4         C  23   3.191 -17.140  13.898
  246   2H4     C  23          2H4         C  23   4.497 -16.303  13.044
  247    H5     C  23           H5         C  23   1.486 -18.385  12.654
  248    H6     C  23           H6         C  23   0.642 -18.868  10.409
  249   1H5*    C  24          1H5*        C  24   3.598 -24.747   7.812
  250   2H5*    C  24          2H5*        C  24   3.775 -23.818   9.293
  251    H4*    C  24           H4*        C  24   4.674 -23.061   6.486
  252    H3*    C  24           H3*        C  24   5.981 -23.405   9.208
  253    H2*    C  24          1H2*        C  24   7.731 -21.975   8.479
  254   2HO*    C  24          2HO*        C  24   7.728 -22.858   6.227
  255    H1*    C  24           H1*        C  24   6.026 -20.141   7.311
  256   1H4     C  24          1H4         C  24   5.701 -18.831  13.756
  257   2H4     C  24          2H4         C  24   7.231 -18.156  13.190
  258    H5     C  24           H5         C  24   4.301 -20.210  12.330
  259    H6     C  24           H6         C  24   4.119 -21.224  10.143
  260   1H    GLU   8          1H        GLU   8  -3.092   6.570   4.887
  261   2H    GLU   8          2H        GLU   8  -3.254   8.183   4.615
  262   3H    GLU   8          3H        GLU   8  -4.388   7.370   5.486
  263    HA   GLU   8           HA       GLU   8  -1.582   7.734   6.314
  264   1HB   GLU   8          2HB       GLU   8  -4.086   9.245   7.175
  265   2HB   GLU   8          1HB       GLU   8  -2.639   9.139   8.168
  266   1HG   GLU   8          2HG       GLU   8  -2.374  11.164   7.104
  267   2HG   GLU   8          1HG       GLU   8  -1.306  10.084   6.219
  268    H    SER   9           H        SER   9  -1.025   6.891   8.339
  269    HA   SER   9           HA       SER   9  -2.143   4.352   8.925
  270   1HB   SER   9          2HB       SER   9  -0.214   6.009  10.592
  271   2HB   SER   9          1HB       SER   9  -0.428   4.252  10.658
  272    HG   SER   9           HG       SER   9   0.323   4.131   8.501
  273    H    LYS  10           H        LYS  10  -3.361   7.266  10.022
  274    HA   LYS  10           HA       LYS  10  -3.881   6.853  12.808
  275   1HB   LYS  10          2HB       LYS  10  -5.152   8.747  10.793
  276   2HB   LYS  10          1HB       LYS  10  -5.329   8.880  12.539
  277   1HG   LYS  10          2HG       LYS  10  -2.678   9.124  11.055
  278   2HG   LYS  10          1HG       LYS  10  -3.680  10.452  11.636
  279   1HD   LYS  10          2HD       LYS  10  -3.437   9.589  13.981
  280   2HD   LYS  10          1HD       LYS  10  -2.314   8.352  13.375
  281   1HE   LYS  10          2HE       LYS  10  -0.822  10.121  12.496
  282   2HE   LYS  10          1HE       LYS  10  -1.944  11.364  13.065
  283   1HZ   LYS  10          1HZ       LYS  10  -0.134  11.022  14.648
  284   2HZ   LYS  10          2HZ       LYS  10  -0.506   9.443  14.821
  285   3HZ   LYS  10          3HZ       LYS  10  -1.545  10.593  15.343
  286    H    GLY  11           H        GLY  11  -4.926   4.634  11.225
  287   1HA   GLY  11          2HA       GLY  11  -7.794   4.526  12.108
  288   2HA   GLY  11          1HA       GLY  11  -7.016   3.405  10.999
  289    H    THR  12           H        THR  12  -4.950   4.116  13.621
  290    HA   THR  12           HA       THR  12  -4.793   1.430  14.495
  291    HB   THR  12           HB       THR  12  -3.368   2.318  16.326
  292    HG1  THR  12           HG1      THR  12  -2.976   4.628  16.193
  293   1HG2  THR  12          1HG2      THR  12  -2.426   2.040  14.011
  294   2HG2  THR  12          2HG2      THR  12  -1.605   3.250  15.015
  295   3HG2  THR  12          3HG2      THR  12  -2.727   3.774  13.751
  296    H    ALA  13           H        ALA  13  -5.040   0.537  16.638
  297    HA   ALA  13           HA       ALA  13  -7.515   1.008  17.987
  298   1HB   ALA  13          1HB       ALA  13  -4.971  -0.336  18.997
  299   2HB   ALA  13          2HB       ALA  13  -6.262  -1.121  18.056
  300   3HB   ALA  13          3HB       ALA  13  -6.607  -0.505  19.679
  301    H    LYS  14           H        LYS  14  -4.328   2.501  18.386
  302    HA   LYS  14           HA       LYS  14  -4.868   3.971  20.824
  303   1HB   LYS  14          2HB       LYS  14  -3.001   4.649  18.503
  304   2HB   LYS  14          1HB       LYS  14  -3.101   5.533  20.027
  305   1HG   LYS  14          2HG       LYS  14  -2.510   3.416  21.243
  306   2HG   LYS  14          1HG       LYS  14  -2.224   2.640  19.676
  307   1HD   LYS  14          2HD       LYS  14  -0.436   4.257  19.173
  308   2HD   LYS  14          1HD       LYS  14  -0.807   5.164  20.661
  309   1HE   LYS  14          2HE       LYS  14  -0.317   3.146  22.009
  310   2HE   LYS  14          1HE       LYS  14   0.133   2.264  20.546
  311   1HZ   LYS  14          1HZ       LYS  14   2.043   3.182  21.750
  312   2HZ   LYS  14          2HZ       LYS  14   1.496   4.702  21.570
  313   3HZ   LYS  14          3HZ       LYS  14   1.961   3.845  20.246
  314    H    SER  15           H        SER  15  -5.226   4.903  17.407
  315    HA   SER  15           HA       SER  15  -6.404   7.470  17.846
  316   1HB   SER  15          2HB       SER  15  -6.887   5.582  15.505
  317   2HB   SER  15          1HB       SER  15  -7.193   7.325  15.542
  318    HG   SER  15           HG       SER  15  -4.695   5.967  15.702
  319    H    ARG  16           H        ARG  16  -7.902   4.273  17.518
  320    HA   ARG  16           HA       ARG  16 -10.650   5.094  17.858
  321   1HB   ARG  16          2HB       ARG  16  -9.572   2.897  16.958
  322   2HB   ARG  16          1HB       ARG  16  -9.532   2.378  18.643
  323   1HG   ARG  16          2HG       ARG  16 -12.037   2.786  18.746
  324   2HG   ARG  16          1HG       ARG  16 -11.994   3.188  17.024
  325   1HD   ARG  16          2HD       ARG  16 -11.319   0.524  18.322
  326   2HD   ARG  16          1HD       ARG  16 -12.706   0.885  17.281
  327    HE   ARG  16           HE       ARG  16 -10.403   1.472  15.761
  328   1HH1  ARG  16          2HH1      ARG  16 -11.879  -1.423  17.039
  329   2HH1  ARG  16          1HH1      ARG  16 -10.985  -2.444  15.925
  330   1HH2  ARG  16          1HH2      ARG  16  -9.161   0.106  14.551
  331   2HH2  ARG  16          2HH2      ARG  16  -9.282  -1.615  14.830
  332    H    TYR  17           H        TYR  17  -8.170   4.143  20.243
  333    HA   TYR  17           HA       TYR  17  -9.971   4.244  22.510
  334   1HB   TYR  17          2HB       TYR  17  -7.799   2.992  22.432
  335   2HB   TYR  17          1HB       TYR  17  -6.958   4.538  22.541
  336    HD1  TYR  17           HD1      TYR  17  -6.609   5.522  24.694
  337    HD2  TYR  17           HD2      TYR  17  -9.523   2.376  24.235
  338    HE1  TYR  17           HE1      TYR  17  -6.906   5.440  27.164
  339    HE2  TYR  17           HE2      TYR  17  -9.846   2.323  26.707
  340    HH   TYR  17           HH       TYR  17  -7.966   4.421  28.909
  341    H    LYS  18           H        LYS  18  -7.751   6.670  21.093
  342    HA   LYS  18           HA       LYS  18  -8.260   8.843  22.846
  343   1HB   LYS  18          2HB       LYS  18  -6.551   8.960  21.157
  344   2HB   LYS  18          1HB       LYS  18  -7.726   8.758  19.855
  345   1HG   LYS  18          2HG       LYS  18  -8.739  10.929  20.361
  346   2HG   LYS  18          1HG       LYS  18  -7.632  11.151  21.734
  347   1HD   LYS  18          2HD       LYS  18  -5.754  11.453  20.312
  348   2HD   LYS  18          1HD       LYS  18  -6.550  10.667  18.943
  349   1HE   LYS  18          2HE       LYS  18  -6.430  13.041  18.520
  350   2HE   LYS  18          1HE       LYS  18  -8.113  12.530  18.690
  351   1HZ   LYS  18          1HZ       LYS  18  -6.506  13.909  20.767
  352   2HZ   LYS  18          2HZ       LYS  18  -8.046  13.405  21.002
  353   3HZ   LYS  18          3HZ       LYS  18  -7.720  14.573  19.903
  354    H    ALA  19           H        ALA  19 -10.186   7.891  19.977
  355    HA   ALA  19           HA       ALA  19 -12.268   9.808  20.305
  356   1HB   ALA  19          1HB       ALA  19 -13.596   8.297  18.900
  357   2HB   ALA  19          2HB       ALA  19 -12.437   6.982  19.168
  358   3HB   ALA  19          3HB       ALA  19 -11.943   8.440  18.277
  359    H    ARG  20           H        ARG  20 -12.039   6.498  21.666
  360    HA   ARG  20           HA       ARG  20 -14.523   6.638  23.149
  361   1HB   ARG  20          2HB       ARG  20 -12.102   4.817  23.362
  362   2HB   ARG  20          1HB       ARG  20 -13.547   4.628  24.364
  363   1HG   ARG  20          2HG       ARG  20 -14.976   4.357  22.420
  364   2HG   ARG  20          1HG       ARG  20 -13.645   4.670  21.306
  365   1HD   ARG  20          2HD       ARG  20 -13.724   2.350  23.266
  366   2HD   ARG  20          1HD       ARG  20 -14.257   2.255  21.577
  367    HE   ARG  20           HE       ARG  20 -11.688   3.274  21.406
  368   1HH1  ARG  20          1HH1      ARG  20 -13.112   0.324  22.594
  369   2HH1  ARG  20          2HH1      ARG  20 -11.694  -0.646  22.292
  370   1HH2  ARG  20          2HH2      ARG  20  -9.785   1.994  21.142
  371   2HH2  ARG  20          1HH2      ARG  20  -9.872   0.298  21.532
  372    H    ARG  21           H        ARG  21 -11.257   7.584  24.106
  373    HA   ARG  21           HA       ARG  21 -11.857   8.275  26.860
  374   1HB   ARG  21          2HB       ARG  21  -9.808   9.301  24.865
  375   2HB   ARG  21          1HB       ARG  21  -9.926   9.966  26.478
  376   1HG   ARG  21          2HG       ARG  21  -9.552   6.981  25.994
  377   2HG   ARG  21          1HG       ARG  21  -8.198   8.098  26.027
  378   1HD   ARG  21          2HD       ARG  21 -10.134   7.651  28.330
  379   2HD   ARG  21          1HD       ARG  21  -8.531   6.932  28.172
  380    HE   ARG  21           HE       ARG  21  -8.897   9.915  28.292
  381   1HH1  ARG  21          1HH1      ARG  21  -7.203   7.067  29.703
  382   2HH1  ARG  21          2HH1      ARG  21  -6.341   8.191  30.739
  383   1HH2  ARG  21          1HH2      ARG  21  -7.577  11.094  29.714
  384   2HH2  ARG  21          2HH2      ARG  21  -6.492  10.125  30.717
  385    H    ALA  22           H        ALA  22 -12.052  10.245  23.866
  386    HA   ALA  22           HA       ALA  22 -13.129  12.575  25.106
  387   1HB   ALA  22          1HB       ALA  22 -13.586  11.567  22.269
  388   2HB   ALA  22          2HB       ALA  22 -12.186  12.514  22.824
  389   3HB   ALA  22          3HB       ALA  22 -13.812  13.224  22.858
  390    H    GLU  23           H        GLU  23 -14.842   9.681  23.865
  391    HA   GLU  23           HA       GLU  23 -17.504  10.588  24.569
  392   1HB   GLU  23          2HB       GLU  23 -16.343   7.797  24.232
  393   2HB   GLU  23          1HB       GLU  23 -18.045   8.112  24.542
  394   1HG   GLU  23          2HG       GLU  23 -16.526   9.199  22.131
  395   2HG   GLU  23          1HG       GLU  23 -17.462   7.713  22.135
  396    H    LEU  24           H        LEU  24 -15.141   8.596  26.415
  397    HA   LEU  24           HA       LEU  24 -16.712   8.158  28.715
  398   1HB   LEU  24          2HB       LEU  24 -14.624   6.974  28.157
  399   2HB   LEU  24          1HB       LEU  24 -13.701   8.452  28.418
  400    HG   LEU  24           HG       LEU  24 -14.313   8.417  30.831
  401   1HD1  LEU  24          1HD1      LEU  24 -15.583   5.723  30.152
  402   2HD1  LEU  24          2HD1      LEU  24 -16.436   7.164  30.752
  403   3HD1  LEU  24          3HD1      LEU  24 -15.274   6.338  31.792
  404   1HD2  LEU  24          1HD2      LEU  24 -12.883   6.513  31.424
  405   2HD2  LEU  24          2HD2      LEU  24 -12.227   7.389  30.033
  406   3HD2  LEU  24          3HD2      LEU  24 -13.069   5.843  29.787
  407    H    ILE  25           H        ILE  25 -14.795  11.003  27.880
  408    HA   ILE  25           HA       ILE  25 -15.001  12.392  30.387
  409    HB   ILE  25           HB       ILE  25 -14.447  13.233  27.540
  410   1HG1  ILE  25          2HG1      ILE  25 -12.682  13.313  30.031
  411   2HG1  ILE  25          1HG1      ILE  25 -12.824  11.874  29.039
  412   1HG2  ILE  25          1HG2      ILE  25 -13.735  15.471  28.368
  413   2HG2  ILE  25          2HG2      ILE  25 -14.436  15.095  29.956
  414   3HG2  ILE  25          3HG2      ILE  25 -15.467  15.237  28.509
  415   1HD1  ILE  25          1HD1      ILE  25 -12.017  13.160  27.052
  416   2HD1  ILE  25          2HD1      ILE  25 -10.849  13.008  28.375
  417   3HD1  ILE  25          3HD1      ILE  25 -11.703  14.541  28.130
  418    H    ALA  26           H        ALA  26 -17.529  11.781  28.077
  419    HA   ALA  26           HA       ALA  26 -19.277  13.886  29.206
  420   1HB   ALA  26          1HB       ALA  26 -20.955  12.983  27.712
  421   2HB   ALA  26          2HB       ALA  26 -19.938  11.580  27.337
  422   3HB   ALA  26          3HB       ALA  26 -19.438  13.209  26.818
  423    H    GLU  27           H        GLU  27 -18.406  10.604  29.966
  424    HA   GLU  27           HA       GLU  27 -20.852  10.102  31.604
  425   1HB   GLU  27          2HB       GLU  27 -18.516   8.300  30.863
  426   2HB   GLU  27          1HB       GLU  27 -19.921   7.810  31.797
  427   1HG   GLU  27          2HG       GLU  27 -19.941   8.741  28.893
  428   2HG   GLU  27          1HG       GLU  27 -20.067   7.080  29.454
  429    H    ARG  28           H        ARG  28 -17.363  10.452  31.962
  430    HA   ARG  28           HA       ARG  28 -15.957  10.862  33.713
  431   1HB   ARG  28          2HB       ARG  28 -18.372  12.285  34.888
  432   2HB   ARG  28          1HB       ARG  28 -16.670  12.583  35.273
  433   1HG   ARG  28          2HG       ARG  28 -16.264  13.179  32.872
  434   2HG   ARG  28          1HG       ARG  28 -18.007  13.020  32.574
  435   1HD   ARG  28          2HD       ARG  28 -18.454  14.797  34.235
  436   2HD   ARG  28          1HD       ARG  28 -16.701  14.989  34.482
  437    HE   ARG  28           HE       ARG  28 -17.255  15.150  31.691
  438   1HH1  ARG  28          1HH2      ARG  28 -17.806  17.155  34.511
  439   2HH1  ARG  28          2HH2      ARG  28 -17.836  18.624  33.567
  440   1HH2  ARG  28          1HH1      ARG  28 -17.304  17.015  30.564
  441   2HH2  ARG  28          2HH1      ARG  28 -17.557  18.540  31.375
  442    H    ARG  29           H        ARG  29 -17.474   8.378  33.954
  443    HA   ARG  29           HA       ARG  29 -17.910   7.593  36.686
  444   1HB   ARG  29          2HB       ARG  29 -17.080   5.956  34.252
  445   2HB   ARG  29          1HB       ARG  29 -17.531   5.271  35.816
  446   1HG   ARG  29          2HG       ARG  29 -19.790   6.316  35.637
  447   2HG   ARG  29          1HG       ARG  29 -19.344   6.994  34.066
  448   1HD   ARG  29          2HD       ARG  29 -20.648   5.020  33.677
  449   2HD   ARG  29          1HD       ARG  29 -18.977   4.697  33.184
  450    HE   ARG  29           HE       ARG  29 -19.446   3.870  35.921
  451   1HH1  ARG  29          1HH1      ARG  29 -20.081   2.772  32.662
  452   2HH1  ARG  29          2HH1      ARG  29 -20.154   1.098  33.153
  453   1HH2  ARG  29          1HH2      ARG  29 -19.545   1.745  36.474
  454   2HH2  ARG  29          2HH2      ARG  29 -19.863   0.543  35.252
  Start of MODEL    3
    1   1H5*    G   1          2H5*        G   1  17.675  -1.861  16.864
    2   2H5*    G   1          1H5*        G   1  16.908  -3.361  17.395
    3    H4*    G   1           H4*        G   1  19.051  -3.223  15.224
    4    H3*    G   1           H3*        G   1  17.337  -2.054  14.167
    5    H2*    G   1          1H2*        G   1  16.294  -4.260  12.902
    6   2HO*    G   1          2HO*        G   1  18.258  -4.336  11.780
    7    H1*    G   1           H1*        G   1  18.465  -5.847  13.749
    8    H8     G   1           H8         G   1  15.935  -6.307  16.391
    9    H1     G   1           H1         G   1  14.333  -9.323  10.911
   10   1H2     G   1          1H2         G   1  15.505  -8.448   9.248
   11   2H2     G   1          2H2         G   1  16.756  -7.241   9.579
   12   1H5*    G   2          1H5*        G   2  16.278  -1.823  12.144
   13   2H5*    G   2          2H5*        G   2  14.979  -0.681  11.786
   14    H4*    G   2           H4*        G   2  15.696  -1.974   9.807
   15    H3*    G   2           H3*        G   2  12.869  -2.461  10.767
   16    H2*    G   2          1H2*        G   2  12.568  -3.783   8.767
   17   2HO*    G   2          2HO*        G   2  14.113  -2.264   7.526
   18    H1*    G   2           H1*        G   2  14.867  -5.190   9.079
   19    H8     G   2           H8         G   2  13.841  -4.701  12.632
   20    H1     G   2           H1         G   2  10.089  -8.888   9.468
   21   1H2     G   2          1H2         G   2  10.398  -8.609   7.289
   22   2H2     G   2          2H2         G   2  11.643  -7.492   6.708
   23   1H5*    U   3          2H5*        U   3  12.023  -1.936   6.876
   24   2H5*    U   3          1H5*        U   3  10.675  -0.815   6.642
   25    H4*    U   3           H4*        U   3  10.192  -3.030   5.696
   26    H3*    U   3           H3*        U   3   8.518  -2.305   8.113
   27    H2*    U   3          1H2*        U   3   7.196  -4.266   7.560
   28   2HO*    U   3          2HO*        U   3   7.631  -3.921   5.141
   29    H1*    U   3           H1*        U   3   9.395  -5.854   7.263
   30    H3     U   3           H3         U   3   7.405  -6.978  11.230
   31    H5     U   3           H5         U   3   9.965  -3.815  12.179
   32    H6     U   3           H6         U   3  10.366  -3.456   9.803
   33   1H5*    U   4          1H5*        U   4   5.770  -3.348   4.819
   34   2H5*    U   4          2H5*        U   4   4.442  -2.182   4.825
   35    H4*    U   4           H4*        U   4   3.608  -4.487   4.787
   36    H3*    U   4           H3*        U   4   3.065  -2.989   7.363
   37    H2*    U   4          1H2*        U   4   1.633  -4.819   7.939
   38   2HO*    U   4          2HO*        U   4   0.678  -5.187   5.862
   39    H1*    U   4           H1*        U   4   3.399  -6.745   7.057
   40    H3     U   4           H3         U   4   3.240  -7.168  11.585
   41    H5     U   4           H5         U   4   5.653  -3.805  10.987
   42    H6     U   4           H6         U   4   5.116  -3.883   8.600
   43   1H5*    C   5          1H5*        C   5  -2.149  -2.770   7.658
   44   2H5*    C   5          2H5*        C   5  -0.786  -2.901   8.780
   45    H4*    C   5           H4*        C   5  -2.198  -5.276   7.488
   46    H3*    C   5           H3*        C   5  -2.412  -3.955  10.204
   47    H2*    C   5          1H2*        C   5  -2.914  -6.125  11.133
   48   2HO*    C   5          2HO*        C   5  -4.085  -6.794   9.063
   49    H1*    C   5           H1*        C   5  -0.844  -7.354   9.853
   50   1H4     C   5          1H4         C   5   2.488  -4.145  14.456
   51   2H4     C   5          2H4         C   5   1.823  -5.589  15.224
   52    H5     C   5           H5         C   5   1.831  -3.453  12.237
   53    H6     C   5           H6         C   5   0.517  -4.059  10.292
   54   1H5*    A   6          1H5*        A   6  -5.875  -6.347  10.247
   55   2H5*    A   6          2H5*        A   6  -7.245  -5.393  10.834
   56    H4*    A   6           H4*        A   6  -6.924  -7.377  12.222
   57    H3*    A   6           H3*        A   6  -6.178  -4.785  13.600
   58    H2*    A   6          1H2*        A   6  -6.005  -6.086  15.622
   59   2HO*    A   6          2HO*        A   6  -7.778  -7.548  15.252
   60    H1*    A   6           H1*        A   6  -4.499  -8.020  14.452
   61    H8     A   6           H8         A   6  -3.529  -4.749  12.779
   62   1H6     A   6          1H6         A   6   0.198  -4.150  17.794
   63   2H6     A   6          2H6         A   6  -0.102  -3.494  16.184
   64    H2     A   6           H2         A   6  -2.640  -7.298  18.621
   65   1H5*    C   7          1H5*        C   7  -9.603  -4.505  17.641
   66   2H5*    C   7          2H5*        C   7  -8.005  -3.807  17.339
   67    H4*    C   7           H4*        C   7  -8.519  -6.538  18.601
   68    H3*    C   7           H3*        C   7  -7.937  -3.770  19.626
   69    H2*    C   7          1H2*        C   7  -6.406  -4.549  21.237
   70   2HO*    C   7          2HO*        C   7  -7.607  -6.437  21.891
   71    H1*    C   7           H1*        C   7  -5.109  -6.343  19.638
   72   1H4     C   7          1H4         C   7  -2.190  -1.083  17.255
   73   2H4     C   7          2H4         C   7  -1.553  -1.311  18.892
   74    H5     C   7           H5         C   7  -4.082  -2.364  16.454
   75    H6     C   7           H6         C   7  -5.655  -4.109  17.027
   76   1H5*    C   8          2H5*        C   8  -7.835  -4.532  24.796
   77   2H5*    C   8          1H5*        C   8  -9.385  -3.714  24.565
   78    H4*    C   8           H4*        C   8  -8.241  -1.962  23.224
   79    H3*    C   8           H3*        C   8  -7.466  -0.713  24.907
   80    H2*    C   8          1H2*        C   8  -5.523  -1.313  26.111
   81   2HO*    C   8          2HO*        C   8  -6.538  -3.277  27.072
   82    H1*    C   8           H1*        C   8  -4.584  -3.144  24.322
   83   1H4     C   8          1H4         C   8  -2.951   2.474  21.479
   84   2H4     C   8          2H4         C   8  -1.592   1.917  22.461
   85    H5     C   8           H5         C   8  -4.961   1.132  21.220
   86    H6     C   8           H6         C   8  -6.236  -0.657  22.263
   87   1H5*    U   9          1H5*        U   9  -7.630   1.272  28.876
   88   2H5*    U   9          2H5*        U   9  -7.183   1.442  27.173
   89    H4*    U   9           H4*        U   9  -5.248   0.441  29.306
   90    H3*    U   9           H3*        U   9  -5.960   3.190  28.290
   91    H2*    U   9          1H2*        U   9  -3.713   3.875  28.422
   92   2HO*    U   9          2HO*        U   9  -3.255   2.807  30.479
   93    H1*    U   9           H1*        U   9  -2.657   1.520  27.434
   94    H3     U   9           H3         U   9  -1.863   4.692  24.231
   95    H5     U   9           H5         U   9  -5.619   3.133  23.346
   96    H6     U   9           H6         U   9  -5.648   1.996  25.491
   97   1H5*    C  10          1H5*        C  10  -4.981   6.696  31.716
   98   2H5*    C  10          2H5*        C  10  -5.254   6.648  29.965
   99    H4*    C  10           H4*        C  10  -2.537   6.508  31.323
  100    H3*    C  10           H3*        C  10  -4.017   8.654  29.762
  101    H2*    C  10          1H2*        C  10  -1.924   9.491  29.104
  102   2HO*    C  10          2HO*        C  10  -1.063   9.104  31.389
  103    H1*    C  10           H1*        C  10  -0.726   6.923  28.968
  104   1H4     C  10          1H4         C  10  -2.696   7.957  22.834
  105   2H4     C  10          2H4         C  10  -1.148   8.776  23.008
  106    H5     C  10           H5         C  10  -3.823   6.952  24.694
  107    H6     C  10           H6         C  10  -3.765   6.606  27.116
  108   1H5*    U  11          1H5*        U  11  -2.551  11.676  31.082
  109   2H5*    U  11          2H5*        U  11  -3.803  12.724  31.774
  110    H4*    U  11           H4*        U  11  -3.129  13.808  29.788
  111    H3*    U  11           H3*        U  11  -5.583  12.163  29.103
  112    H2*    U  11          1H2*        U  11  -5.603  13.296  27.050
  113   2HO*    U  11          2HO*        U  11  -5.136  15.412  28.133
  114    H1*    U  11           H1*        U  11  -2.752  13.455  26.988
  115    H3     U  11           H3         U  11  -3.157  11.194  23.127
  116    H5     U  11           H5         U  11  -5.790   9.136  25.658
  117    H6     U  11           H6         U  11  -5.030  10.518  27.531
  118   1H5*    A  12          1H5*        A  12  -9.266  16.181  28.833
  119   2H5*    A  12          2H5*        A  12  -9.301  14.710  27.847
  120    H4*    A  12           H4*        A  12  -9.653  16.655  26.432
  121    H3*    A  12           H3*        A  12  -6.984  15.270  26.074
  122    H2*    A  12          1H2*        A  12  -6.569  16.742  24.247
  123   2HO*    A  12          2HO*        A  12  -8.843  16.562  23.448
  124    H1*    A  12           H1*        A  12  -7.670  18.996  25.425
  125    H8     A  12           H8         A  12  -5.731  17.622  28.240
  126   1H6     A  12          1H6         A  12  -1.344  19.682  26.992
  127   2H6     A  12          2H6         A  12  -0.850  20.437  25.471
  128    H2     A  12           H2         A  12  -4.033  20.253  22.600
  129   1H5*    A  13          1H5*        A  13  -5.559  12.867  22.846
  130   2H5*    A  13          2H5*        A  13  -5.259  13.885  24.270
  131    H4*    A  13           H4*        A  13  -5.409  15.167  21.536
  132    H3*    A  13           H3*        A  13  -3.060  13.681  22.723
  133    H2*    A  13          1H2*        A  13  -1.656  15.241  21.581
  134   2HO*    A  13          2HO*        A  13  -2.880  15.364  19.600
  135    H1*    A  13           H1*        A  13  -3.213  17.417  22.251
  136    H8     A  13           H8         A  13  -3.181  15.430  25.401
  137   1H6     A  13          1H6         A  13   1.176  17.207  27.119
  138   2H6     A  13          2H6         A  13   2.429  18.113  26.262
  139    H2     A  13           H2         A  13   1.347  18.657  22.144
  140   1H5*    C  14          1H5*        C  14  -0.004  12.033  19.057
  141   2H5*    C  14          2H5*        C  14   0.106  12.464  20.771
  142    H4*    C  14           H4*        C  14   0.508  14.390  18.430
  143    H3*    C  14           H3*        C  14   2.366  12.951  20.330
  144    H2*    C  14          1H2*        C  14   3.842  14.794  20.344
  145   2HO*    C  14          2HO*        C  14   3.354  15.340  18.007
  146    H1*    C  14           H1*        C  14   1.895  16.630  20.802
  147   1H4     C  14          1H4         C  14   2.130  13.767  26.678
  148   2H4     C  14          2H4         C  14   3.620  14.698  26.524
  149    H5     C  14           H5         C  14   0.598  13.507  24.806
  150    H6     C  14           H6         C  14   0.255  14.000  22.470
  151   1H5*    C  15          1H5*        C  15   5.382  13.519  18.937
  152   2H5*    C  15          2H5*        C  15   6.361  12.090  18.564
  153    H4*    C  15           H4*        C  15   7.251  13.287  20.514
  154    H3*    C  15           H3*        C  15   5.972  10.627  21.211
  155    H2*    C  15          1H2*        C  15   6.909  10.949  23.412
  156   2HO*    C  15          2HO*        C  15   8.935  11.960  22.616
  157    H1*    C  15           H1*        C  15   6.108  13.566  23.573
  158   1H4     C  15          1H4         C  15   0.862   9.728  24.824
  159   2H4     C  15          2H4         C  15   1.702  10.008  26.315
  160    H5     C  15           H5         C  15   1.783  10.499  22.684
  161    H6     C  15           H6         C  15   3.652  11.666  21.647
  162   1H5*    G  16          1H5*        G  16   8.231   6.940  22.823
  163   2H5*    G  16          2H5*        G  16   6.608   7.453  22.317
  164    H4*    G  16           H4*        G  16   7.862   8.360  24.938
  165    H3*    G  16           H3*        G  16   6.201   5.919  24.282
  166    H2*    G  16          1H2*        G  16   5.216   6.096  26.471
  167   2HO*    G  16          2HO*        G  16   7.330   7.020  27.393
  168    H1*    G  16           H1*        G  16   4.624   8.736  26.183
  169    H8     G  16           H8         G  16   4.145   8.087  22.682
  170    H1     G  16           H1         G  16  -0.184   4.766  26.129
  171   1H2     G  16          1H2         G  16   1.946   5.524  28.727
  172   2H2     G  16          2H2         G  16   0.464   4.701  28.246
  173   1H5*    G  17          1H5*        G  17   6.891   4.856  28.016
  174   2H5*    G  17          2H5*        G  17   7.830   3.358  28.068
  175    H4*    G  17           H4*        G  17   5.864   3.124  29.458
  176    H3*    G  17           H3*        G  17   5.751   1.523  26.892
  177    H2*    G  17          1H2*        G  17   3.787   0.480  27.744
  178   2HO*    G  17          2HO*        G  17   4.434   0.272  29.949
  179    H1*    G  17           H1*        G  17   2.639   2.815  28.560
  180    H8     G  17           H8         G  17   4.462   3.793  25.440
  181    H1     G  17           H1         G  17  -1.035   0.587  24.363
  182   1H2     G  17          1H2         G  17  -1.566  -0.553  26.166
  183   2H2     G  17          2H2         G  17  -0.643  -0.324  27.654
  184   1H5*    G  18          1H5*        G  18   6.398  -3.033  26.759
  185   2H5*    G  18          2H5*        G  18   5.992  -2.182  25.266
  186    H4*    G  18           H4*        G  18   4.129  -2.490  27.667
  187    H3*    G  18           H3*        G  18   4.216  -3.754  24.916
  188    H2*    G  18          1H2*        G  18   1.848  -4.112  25.206
  189   2HO*    G  18          2HO*        G  18   2.203  -4.497  27.642
  190    H1*    G  18           H1*        G  18   1.452  -1.572  26.244
  191    H8     G  18           H8         G  18   3.690  -0.485  23.655
  192    H1     G  18           H1         G  18  -1.842  -2.615  21.109
  193   1H2     G  18          1H2         G  18  -2.801  -4.015  22.542
  194   2H2     G  18          2H2         G  18  -2.125  -4.178  24.176
  195   1H5*    U  19          1H5*        U  19   1.924  -6.494  27.131
  196   2H5*    U  19          2H5*        U  19   2.510  -8.140  26.852
  197    H4*    U  19           H4*        U  19   0.116  -7.991  26.428
  198    H3*    U  19           H3*        U  19   1.787  -8.397  23.932
  199    H2*    U  19          1H2*        U  19  -0.322  -8.823  22.812
  200   2HO*    U  19          2HO*        U  19  -1.232  -9.816  24.924
  201    H1*    U  19           H1*        U  19  -1.525  -6.629  23.902
  202    H3     U  19           H3         U  19  -0.728  -5.558  19.551
  203    H5     U  19           H5         U  19   2.765  -4.489  21.574
  204    H6     U  19           H6         U  19   1.961  -5.693  23.539
  205   1H5*    G  20          1H5*        G  20  -1.090 -11.506  23.780
  206   2H5*    G  20          2H5*        G  20  -0.282 -13.033  23.403
  207    H4*    G  20           H4*        G  20  -2.132 -12.605  21.853
  208    H3*    G  20           H3*        G  20   0.642 -12.478  20.648
  209    H2*    G  20          1H2*        G  20  -0.422 -12.334  18.506
  210   2HO*    G  20          2HO*        G  20  -2.128 -13.889  18.940
  211    H1*    G  20           H1*        G  20  -2.344 -10.542  19.316
  212    H8     G  20           H8         G  20   0.893  -9.570  21.012
  213    H1     G  20           H1         G  20   0.311  -7.538  14.910
  214   1H2     G  20          1H2         G  20  -1.304  -8.694  13.918
  215   2H2     G  20          2H2         G  20  -2.231  -9.875  14.851
  216   1H5*    A  21          1H5*        A  21   1.393 -16.080  17.333
  217   2H5*    A  21          2H5*        A  21   1.827 -14.382  17.607
  218    H4*    A  21           H4*        A  21  -0.521 -15.298  15.886
  219    H3*    A  21           H3*        A  21   2.329 -14.507  15.250
  220    H2*    A  21          1H2*        A  21   1.548 -13.594  13.171
  221   2HO*    A  21          2HO*        A  21  -0.054 -15.244  12.708
  222    H1*    A  21           H1*        A  21  -0.556 -12.272  14.310
  223    H8     A  21           H8         A  21   2.117 -12.098  16.941
  224   1H6     A  21          1H6         A  21   4.238  -7.207  13.650
  225   2H6     A  21          2H6         A  21   4.399  -8.072  15.175
  226    H2     A  21           H2         A  21   1.295  -9.278  11.204
  227   1H5*    G  22          1H5*        G  22   3.717 -16.806  10.878
  228   2H5*    G  22          2H5*        G  22   4.054 -15.234  11.624
  229    H4*    G  22           H4*        G  22   1.917 -15.769   9.512
  230    H3*    G  22           H3*        G  22   4.723 -14.668   9.441
  231    H2*    G  22          1H2*        G  22   4.109 -13.045   7.822
  232   2HO*    G  22          2HO*        G  22   2.526 -14.658   6.788
  233    H1*    G  22           H1*        G  22   1.846 -12.226   9.085
  234    H8     G  22           H8         G  22   3.585 -12.934  12.182
  235    H1     G  22           H1         G  22   6.321  -7.993   9.092
  236   1H2     G  22          1H2         G  22   5.759  -8.068   6.950
  237   2H2     G  22          2H2         G  22   4.652  -9.319   6.385
  238   1H5*    C  23          1H5*        C  23   4.714 -14.691   5.580
  239   2H5*    C  23          2H5*        C  23   6.029 -15.691   4.941
  240    H4*    C  23           H4*        C  23   6.330 -13.416   4.191
  241    H3*    C  23           H3*        C  23   8.304 -14.177   6.364
  242    H2*    C  23          1H2*        C  23   9.423 -12.100   5.843
  243   2HO*    C  23          2HO*        C  23   8.775 -12.323   3.451
  244    H1*    C  23           H1*        C  23   7.099 -10.654   5.845
  245   1H4     C  23          1H4         C  23   8.358 -11.578  12.227
  246   2H4     C  23          2H4         C  23   9.261 -10.162  11.662
  247    H5     C  23           H5         C  23   7.176 -13.027  10.636
  248    H6     C  23           H6         C  23   6.589 -13.293   8.290
  249   1H5*    C  24          1H5*        C  24  10.865 -12.665   3.336
  250   2H5*    C  24          2H5*        C  24  12.131 -13.865   3.049
  251    H4*    C  24           H4*        C  24  13.140 -11.700   3.443
  252    H3*    C  24           H3*        C  24  13.528 -13.622   5.764
  253    H2*    C  24          1H2*        C  24  15.060 -12.029   6.642
  254   2HO*    C  24          2HO*        C  24  15.979 -11.500   4.469
  255    H1*    C  24           H1*        C  24  13.479  -9.834   5.977
  256   1H4     C  24          1H4         C  24  11.295 -12.136  11.754
  257   2H4     C  24          2H4         C  24  12.492 -10.868  12.058
  258    H5     C  24           H5         C  24  10.889 -12.978   9.502
  259    H6     C  24           H6         C  24  11.468 -12.678   7.144
  260   1H    GLU   8          1H        GLU   8  -7.945  13.021  10.379
  261   2H    GLU   8          2H        GLU   8  -6.445  13.036   9.729
  262   3H    GLU   8          3H        GLU   8  -6.763  12.120  11.057
  263    HA   GLU   8           HA       GLU   8  -7.902  11.699   8.372
  264   1HB   GLU   8          2HB       GLU   8  -5.914   9.965   9.901
  265   2HB   GLU   8          1HB       GLU   8  -6.634   9.588   8.338
  266   1HG   GLU   8          2HG       GLU   8  -4.704  11.868   8.934
  267   2HG   GLU   8          1HG       GLU   8  -4.344  10.377   8.079
  268    H    SER   9           H        SER   9  -9.593  10.292   8.204
  269    HA   SER   9           HA       SER   9 -11.068   9.644  10.639
  270   1HB   SER   9          2HB       SER   9 -11.979  10.580   8.438
  271   2HB   SER   9          1HB       SER   9 -11.855   8.933   7.800
  272    HG   SER   9           HG       SER   9 -13.926   9.399   8.717
  273    H    LYS  10           H        LYS  10  -8.821   8.226  10.846
  274    HA   LYS  10           HA       LYS  10  -9.070   5.438   9.931
  275   1HB   LYS  10          2HB       LYS  10  -7.085   5.031  11.348
  276   2HB   LYS  10          1HB       LYS  10  -6.860   6.323  10.176
  277   1HG   LYS  10          2HG       LYS  10  -7.008   8.031  11.876
  278   2HG   LYS  10          1HG       LYS  10  -7.598   6.881  13.074
  279   1HD   LYS  10          2HD       LYS  10  -5.277   7.384  13.527
  280   2HD   LYS  10          1HD       LYS  10  -5.414   5.694  13.021
  281   1HE   LYS  10          2HE       LYS  10  -4.684   6.329  10.724
  282   2HE   LYS  10          1HE       LYS  10  -4.580   8.023  11.224
  283   1HZ   LYS  10          1HZ       LYS  10  -2.409   6.935  11.301
  284   2HZ   LYS  10          2HZ       LYS  10  -2.945   5.810  12.353
  285   3HZ   LYS  10          3HZ       LYS  10  -2.844   7.378  12.809
  286    H    GLY  11           H        GLY  11  -8.910   3.664  11.526
  287   1HA   GLY  11          2HA       GLY  11 -10.834   3.903  13.811
  288   2HA   GLY  11          1HA       GLY  11 -11.200   2.853  12.445
  289    H    THR  12           H        THR  12  -8.003   3.298  13.916
  290    HA   THR  12           HA       THR  12  -7.570   0.424  14.311
  291    HB   THR  12           HB       THR  12  -5.440   1.029  15.243
  292    HG1  THR  12           HG1      THR  12  -6.342   3.717  15.201
  293   1HG2  THR  12          1HG2      THR  12  -5.607   1.280  12.776
  294   2HG2  THR  12          2HG2      THR  12  -4.404   2.355  13.512
  295   3HG2  THR  12          3HG2      THR  12  -5.966   3.010  12.990
  296    H    ALA  13           H        ALA  13  -6.751  -0.362  16.563
  297    HA   ALA  13           HA       ALA  13  -8.686  -0.055  18.619
  298   1HB   ALA  13          1HB       ALA  13  -5.752  -0.840  18.882
  299   2HB   ALA  13          2HB       ALA  13  -7.078  -1.932  18.413
  300   3HB   ALA  13          3HB       ALA  13  -7.061  -1.206  20.028
  301    H    LYS  14           H        LYS  14  -5.692   1.763  18.031
  302    HA   LYS  14           HA       LYS  14  -5.709   3.429  20.388
  303   1HB   LYS  14          2HB       LYS  14  -4.618   4.248  17.666
  304   2HB   LYS  14          1HB       LYS  14  -4.116   4.784  19.267
  305   1HG   LYS  14          2HG       LYS  14  -3.389   2.351  19.684
  306   2HG   LYS  14          1HG       LYS  14  -3.634   2.077  17.959
  307   1HD   LYS  14          2HD       LYS  14  -2.029   3.902  17.448
  308   2HD   LYS  14          1HD       LYS  14  -1.715   4.125  19.174
  309   1HE   LYS  14          2HE       LYS  14  -1.288   1.493  17.685
  310   2HE   LYS  14          1HE       LYS  14  -0.029   2.716  17.859
  311   1HZ   LYS  14          1HZ       LYS  14  -1.354   1.389  20.164
  312   2HZ   LYS  14          2HZ       LYS  14  -0.102   2.440  20.249
  313   3HZ   LYS  14          3HZ       LYS  14   0.094   0.964  19.575
  314    H    SER  15           H        SER  15  -7.042   3.911  17.132
  315    HA   SER  15           HA       SER  15  -8.213   6.473  17.501
  316   1HB   SER  15          2HB       SER  15  -9.380   4.306  15.731
  317   2HB   SER  15          1HB       SER  15  -9.437   6.056  15.500
  318    HG   SER  15           HG       SER  15  -7.130   5.981  15.228
  319    H    ARG  16           H        ARG  16  -9.676   3.245  17.866
  320    HA   ARG  16           HA       ARG  16 -12.306   4.021  18.722
  321   1HB   ARG  16          2HB       ARG  16 -10.661   1.524  19.304
  322   2HB   ARG  16          1HB       ARG  16 -12.379   1.680  19.685
  323   1HG   ARG  16          2HG       ARG  16 -12.996   1.872  17.365
  324   2HG   ARG  16          1HG       ARG  16 -11.315   2.022  16.866
  325   1HD   ARG  16          2HD       ARG  16 -11.098  -0.344  18.135
  326   2HD   ARG  16          1HD       ARG  16 -12.829  -0.423  17.750
  327    HE   ARG  16           HE       ARG  16 -11.288   0.400  15.452
  328   1HH1  ARG  16          1HH2      ARG  16 -11.844  -2.617  17.227
  329   2HH1  ARG  16          2HH2      ARG  16 -11.200  -3.516  15.842
  330   1HH2  ARG  16          1HH1      ARG  16 -10.558  -0.871  13.887
  331   2HH2  ARG  16          2HH1      ARG  16 -10.531  -2.632  14.136
  332    H    TYR  17           H        TYR  17  -9.433   3.203  20.682
  333    HA   TYR  17           HA       TYR  17 -10.543   3.786  23.245
  334   1HB   TYR  17          2HB       TYR  17  -8.479   2.605  23.073
  335   2HB   TYR  17          1HB       TYR  17  -7.720   3.901  22.160
  336    HD1  TYR  17           HD1      TYR  17  -8.938   2.903  25.537
  337    HD2  TYR  17           HD2      TYR  17  -6.813   5.869  23.220
  338    HE1  TYR  17           HE1      TYR  17  -8.081   3.937  27.634
  339    HE2  TYR  17           HE2      TYR  17  -5.951   6.877  25.326
  340    HH   TYR  17           HH       TYR  17  -6.680   5.514  28.538
  341    H    LYS  18           H        LYS  18  -8.718   6.011  21.045
  342    HA   LYS  18           HA       LYS  18  -8.958   8.313  22.698
  343   1HB   LYS  18          2HB       LYS  18  -7.420   7.992  20.745
  344   2HB   LYS  18          1HB       LYS  18  -8.791   8.266  19.657
  345   1HG   LYS  18          2HG       LYS  18  -9.088  10.539  20.592
  346   2HG   LYS  18          1HG       LYS  18  -7.791  10.240  21.768
  347   1HD   LYS  18          2HD       LYS  18  -6.165   9.963  19.916
  348   2HD   LYS  18          1HD       LYS  18  -7.464  10.247  18.734
  349   1HE   LYS  18          2HE       LYS  18  -7.843  12.505  19.734
  350   2HE   LYS  18          1HE       LYS  18  -6.516  12.215  20.866
  351   1HZ   LYS  18          1HZ       LYS  18  -6.228  12.292  17.907
  352   2HZ   LYS  18          2HZ       LYS  18  -5.005  12.025  18.973
  353   3HZ   LYS  18          3HZ       LYS  18  -5.754  13.470  18.942
  354    H    ALA  19           H        ALA  19 -11.194   7.173  20.159
  355    HA   ALA  19           HA       ALA  19 -13.148   9.248  20.446
  356   1HB   ALA  19          1HB       ALA  19 -14.674   7.642  19.378
  357   2HB   ALA  19          2HB       ALA  19 -13.518   6.323  19.657
  358   3HB   ALA  19          3HB       ALA  19 -13.097   7.660  18.564
  359    H    ARG  20           H        ARG  20 -12.914   6.081  22.123
  360    HA   ARG  20           HA       ARG  20 -15.152   6.419  23.879
  361   1HB   ARG  20          2HB       ARG  20 -14.230   4.282  23.405
  362   2HB   ARG  20          1HB       ARG  20 -12.638   4.724  24.021
  363   1HG   ARG  20          2HG       ARG  20 -13.321   4.634  26.271
  364   2HG   ARG  20          1HG       ARG  20 -15.041   4.739  25.862
  365   1HD   ARG  20          2HD       ARG  20 -14.272   2.446  26.597
  366   2HD   ARG  20          1HD       ARG  20 -15.131   2.519  25.065
  367    HE   ARG  20           HE       ARG  20 -13.210   1.928  23.883
  368   1HH1  ARG  20          1HH1      ARG  20 -12.231   2.245  27.280
  369   2HH1  ARG  20          2HH1      ARG  20 -10.767   1.321  26.913
  370   1HH2  ARG  20          1HH2      ARG  20 -11.283   0.806  23.665
  371   2HH2  ARG  20          2HH2      ARG  20 -10.301   0.626  25.123
  372    H    ARG  21           H        ARG  21 -11.769   7.400  24.359
  373    HA   ARG  21           HA       ARG  21 -12.085   8.574  26.984
  374   1HB   ARG  21          2HB       ARG  21 -10.213   9.287  24.690
  375   2HB   ARG  21          1HB       ARG  21 -10.156  10.084  26.247
  376   1HG   ARG  21          2HG       ARG  21  -9.795   7.081  25.873
  377   2HG   ARG  21          1HG       ARG  21  -8.471   8.238  25.899
  378   1HD   ARG  21          2HD       ARG  21 -10.407   7.787  28.209
  379   2HD   ARG  21          1HD       ARG  21  -8.825   7.034  28.034
  380    HE   ARG  21           HE       ARG  21  -8.989  10.021  28.064
  381   1HH1  ARG  21          1HH2      ARG  21  -7.811   7.120  29.770
  382   2HH1  ARG  21          2HH2      ARG  21  -6.900   8.175  30.850
  383   1HH2  ARG  21          1HH1      ARG  21  -7.739  11.146  29.606
  384   2HH2  ARG  21          2HH1      ARG  21  -6.804  10.132  30.704
  385    H    ALA  22           H        ALA  22 -12.401  10.146  23.766
  386    HA   ALA  22           HA       ALA  22 -13.325  12.663  24.697
  387   1HB   ALA  22          1HB       ALA  22 -12.547  12.209  22.405
  388   2HB   ALA  22          2HB       ALA  22 -14.141  12.987  22.427
  389   3HB   ALA  22          3HB       ALA  22 -14.011  11.250  22.091
  390    H    GLU  23           H        GLU  23 -15.304   9.762  23.899
  391    HA   GLU  23           HA       GLU  23 -17.850  10.912  24.549
  392   1HB   GLU  23          2HB       GLU  23 -16.820   8.054  24.629
  393   2HB   GLU  23          1HB       GLU  23 -18.490   8.466  24.999
  394   1HG   GLU  23          2HG       GLU  23 -17.144   9.166  22.355
  395   2HG   GLU  23          1HG       GLU  23 -18.061   7.694  22.639
  396    H    LEU  24           H        LEU  24 -15.407   9.435  26.695
  397    HA   LEU  24           HA       LEU  24 -17.045   9.610  29.077
  398   1HB   LEU  24          2HB       LEU  24 -15.146   8.066  28.772
  399   2HB   LEU  24          1HB       LEU  24 -14.008   9.404  28.838
  400    HG   LEU  24           HG       LEU  24 -15.979   9.007  31.110
  401   1HD1  LEU  24          1HD1      LEU  24 -14.994   6.786  30.735
  402   2HD1  LEU  24          2HD1      LEU  24 -14.382   7.504  32.231
  403   3HD1  LEU  24          3HD1      LEU  24 -13.361   7.488  30.773
  404   1HD2  LEU  24          1HD2      LEU  24 -14.093   9.858  32.483
  405   2HD2  LEU  24          2HD2      LEU  24 -14.522  11.013  31.228
  406   3HD2  LEU  24          3HD2      LEU  24 -13.087   9.989  31.026
  407    H    ILE  25           H        ILE  25 -14.399  11.750  27.837
  408    HA   ILE  25           HA       ILE  25 -14.768  13.660  29.970
  409    HB   ILE  25           HB       ILE  25 -13.392  15.213  28.634
  410   1HG1  ILE  25          2HG1      ILE  25 -12.903  13.071  26.639
  411   2HG1  ILE  25          1HG1      ILE  25 -14.171  14.285  26.371
  412   1HG2  ILE  25          1HG2      ILE  25 -12.435  13.568  30.227
  413   2HG2  ILE  25          2HG2      ILE  25 -11.330  13.909  28.893
  414   3HG2  ILE  25          3HG2      ILE  25 -12.258  12.398  28.904
  415   1HD1  ILE  25          1HD1      ILE  25 -12.149  14.969  25.241
  416   2HD1  ILE  25          2HD1      ILE  25 -11.207  14.809  26.728
  417   3HD1  ILE  25          3HD1      ILE  25 -12.451  16.076  26.596
  418    H    ALA  26           H        ALA  26 -16.658  13.252  27.109
  419    HA   ALA  26           HA       ALA  26 -17.930  15.861  27.166
  420   1HB   ALA  26          1HB       ALA  26 -19.628  14.756  25.774
  421   2HB   ALA  26          2HB       ALA  26 -18.933  13.167  26.152
  422   3HB   ALA  26          3HB       ALA  26 -17.996  14.352  25.212
  423    H    GLU  27           H        GLU  27 -18.121  13.164  29.304
  424    HA   GLU  27           HA       GLU  27 -20.628  14.186  30.599
  425   1HB   GLU  27          2HB       GLU  27 -20.730  12.001  29.303
  426   2HB   GLU  27          1HB       GLU  27 -19.602  11.331  30.472
  427   1HG   GLU  27          2HG       GLU  27 -21.823  10.627  31.034
  428   2HG   GLU  27          1HG       GLU  27 -21.286  11.726  32.287
  429    H    ARG  28           H        ARG  28 -17.324  13.313  31.111
  430    HA   ARG  28           HA       ARG  28 -15.895  13.250  32.902
  431   1HB   ARG  28          2HB       ARG  28 -17.759  15.351  34.065
  432   2HB   ARG  28          1HB       ARG  28 -16.103  15.042  34.579
  433   1HG   ARG  28          2HG       ARG  28 -16.892  15.989  31.788
  434   2HG   ARG  28          1HG       ARG  28 -16.376  17.041  33.100
  435   1HD   ARG  28          2HD       ARG  28 -14.177  16.056  33.169
  436   2HD   ARG  28          1HD       ARG  28 -14.636  14.788  32.028
  437    HE   ARG  28           HE       ARG  28 -15.054  16.600  30.342
  438   1HH1  ARG  28          2HH1      ARG  28 -12.594  17.169  32.784
  439   2HH1  ARG  28          1HH1      ARG  28 -11.745  18.305  31.768
  440   1HH2  ARG  28          1HH2      ARG  28 -13.965  18.060  29.151
  441   2HH2  ARG  28          2HH2      ARG  28 -12.504  18.788  29.764
  442    H    ARG  29           H        ARG  29 -17.267  11.170  32.864
  443    HA   ARG  29           HA       ARG  29 -18.839  10.283  35.058
  444   1HB   ARG  29          2HB       ARG  29 -16.897   8.664  33.355
  445   2HB   ARG  29          1HB       ARG  29 -18.157   8.007  34.401
  446   1HG   ARG  29          2HG       ARG  29 -19.891   9.204  33.013
  447   2HG   ARG  29          1HG       ARG  29 -18.597   9.755  31.938
  448   1HD   ARG  29          2HD       ARG  29 -19.621   7.850  30.922
  449   2HD   ARG  29          1HD       ARG  29 -18.000   7.382  31.462
  450    HE   ARG  29           HE       ARG  29 -19.965   6.769  33.487
  451   1HH1  ARG  29          1HH2      ARG  29 -18.880   5.522  30.403
  452   2HH1  ARG  29          2HH2      ARG  29 -19.400   3.899  30.787
  453   1HH2  ARG  29          1HH1      ARG  29 -20.589   4.706  33.908
  454   2HH2  ARG  29          2HH1      ARG  29 -20.342   3.461  32.715
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  18.363  -4.612  11.525
    2   2H5*    G   1          2H5*        G   1  17.987  -2.991  12.135
    3    H4*    G   1           H4*        G   1  16.515  -4.065  13.887
    4    H3*    G   1           H3*        G   1  14.604  -4.356  12.550
    5    H2*    G   1          1H2*        G   1  14.588  -5.703  10.671
    6   2HO*    G   1          2HO*        G   1  16.269  -4.311   9.574
    7    H1*    G   1           H1*        G   1  17.016  -7.028  11.319
    8    H8     G   1           H8         G   1  15.433  -7.801  14.377
    9    H1     G   1           H1         G   1  12.305 -10.683   9.514
   10   1H2     G   1          1H2         G   1  12.799  -9.612   7.624
   11   2H2     G   1          2H2         G   1  13.933  -8.253   7.654
   12   1H5*    G   2          1H5*        G   2  12.974  -1.265  10.085
   13   2H5*    G   2          2H5*        G   2  11.590  -1.646  11.110
   14    H4*    G   2           H4*        G   2  13.532  -3.722   9.995
   15    H3*    G   2           H3*        G   2  10.760  -2.847   9.202
   16    H2*    G   2          1H2*        G   2  10.404  -5.097   8.396
   17   2HO*    G   2          2HO*        G   2  12.017  -6.690   8.560
   18    H1*    G   2           H1*        G   2  10.006  -4.640  10.662
   19    H8     G   2           H8         G   2  11.611  -6.161  13.065
   20    H1     G   2           H1         G   2   8.457 -10.613   9.620
   21   1H2     G   2          1H2         G   2   8.291  -9.915   7.518
   22   2H2     G   2          2H2         G   2   9.102  -8.421   7.028
   23   1H5*    U   3          1H5*        U   3   8.530  -2.079   6.245
   24   2H5*    U   3          2H5*        U   3   8.897  -2.821   7.811
   25    H4*    U   3           H4*        U   3   8.095  -4.400   5.325
   26    H3*    U   3           H3*        U   3   6.457  -3.432   7.690
   27    H2*    U   3          1H2*        U   3   5.055  -5.377   7.308
   28   2HO*    U   3          2HO*        U   3   5.422  -5.242   4.870
   29    H1*    U   3           H1*        U   3   7.216  -7.039   7.040
   30    H3     U   3           H3         U   3   5.910  -8.393  11.119
   31    H5     U   3           H5         U   3   7.697  -4.692  11.863
   32    H6     U   3           H6         U   3   7.795  -4.280   9.449
   33   1H5*    U   4          1H5*        U   4   3.612  -4.536   4.549
   34   2H5*    U   4          2H5*        U   4   2.238  -3.430   4.614
   35    H4*    U   4           H4*        U   4   1.521  -5.776   4.736
   36    H3*    U   4           H3*        U   4   1.108  -4.222   7.304
   37    H2*    U   4          1H2*        U   4  -0.186  -6.099   8.019
   38   2HO*    U   4          2HO*        U   4  -1.300  -6.541   6.042
   39    H1*    U   4           H1*        U   4   1.584  -7.965   6.975
   40    H3     U   4           H3         U   4   1.801  -8.581  11.469
   41    H5     U   4           H5         U   4   3.926  -5.032  10.858
   42    H6     U   4           H6         U   4   3.183  -5.025   8.520
   43   1H5*    C   5          1H5*        C   5  -4.106  -4.221   7.944
   44   2H5*    C   5          2H5*        C   5  -2.685  -4.168   9.003
   45    H4*    C   5           H4*        C   5  -4.003  -6.719   7.973
   46    H3*    C   5           H3*        C   5  -4.071  -5.301  10.660
   47    H2*    C   5          1H2*        C   5  -4.131  -7.391  11.744
   48   2HO*    C   5          2HO*        C   5  -5.538  -8.361  10.013
   49    H1*    C   5           H1*        C   5  -2.173  -8.549  10.208
   50   1H4     C   5          1H4         C   5   1.352  -4.954  14.383
   51   2H4     C   5          2H4         C   5   0.763  -6.376  15.257
   52    H5     C   5           H5         C   5   0.518  -4.427  12.140
   53    H6     C   5           H6         C   5  -0.924  -5.212  10.340
   54   1H5*    A   6          1H5*        A   6  -8.762  -4.094  12.091
   55   2H5*    A   6          2H5*        A   6  -7.033  -3.794  12.023
   56    H4*    A   6           H4*        A   6  -8.267  -6.561  12.467
   57    H3*    A   6           H3*        A   6  -7.380  -4.415  14.403
   58    H2*    A   6          1H2*        A   6  -6.934  -6.175  15.970
   59   2HO*    A   6          2HO*        A   6  -8.829  -7.485  15.373
   60    H1*    A   6           H1*        A   6  -5.725  -7.790  14.066
   61    H8     A   6           H8         A   6  -4.297  -4.635  12.976
   62   1H6     A   6          1H6         A   6  -0.568  -4.914  17.982
   63   2H6     A   6          2H6         A   6  -0.797  -4.143  16.412
   64    H2     A   6           H2         A   6  -3.787  -7.772  18.593
   65   1H5*    C   7          2H5*        C   7 -10.196  -4.152  18.482
   66   2H5*    C   7          1H5*        C   7  -8.530  -3.725  18.065
   67    H4*    C   7           H4*        C   7  -9.404  -6.346  19.369
   68    H3*    C   7           H3*        C   7  -8.399  -3.691  20.368
   69    H2*    C   7          1H2*        C   7  -6.950  -4.697  21.936
   70   2HO*    C   7          2HO*        C   7  -8.483  -6.405  22.557
   71    H1*    C   7           H1*        C   7  -5.977  -6.661  20.306
   72   1H4     C   7          1H4         C   7  -2.506  -1.660  17.966
   73   2H4     C   7          2H4         C   7  -1.875  -1.990  19.585
   74    H5     C   7           H5         C   7  -4.519  -2.765  17.146
   75    H6     C   7           H6         C   7  -6.268  -4.344  17.713
   76   1H5*    C   8          2H5*        C   8  -9.530  -3.346  25.371
   77   2H5*    C   8          1H5*        C   8  -8.950  -2.108  24.235
   78    H4*    C   8           H4*        C   8  -7.187  -4.336  25.326
   79    H3*    C   8           H3*        C   8  -7.301  -3.158  27.223
   80    H2*    C   8          1H2*        C   8  -5.473  -1.104  26.593
   81   2HO*    C   8          2HO*        C   8  -4.993  -2.821  28.018
   82    H1*    C   8           H1*        C   8  -4.528  -3.086  24.760
   83   1H4     C   8          1H4         C   8  -3.135   1.904  20.992
   84   2H4     C   8          2H4         C   8  -1.750   1.588  22.046
   85    H5     C   8           H5         C   8  -5.295   0.807  21.402
   86    H6     C   8           H6         C   8  -6.456  -0.782  22.849
   87   1H5*    U   9          1H5*        U   9  -7.496   1.813  28.967
   88   2H5*    U   9          2H5*        U   9  -6.969   1.465  27.311
   89    H4*    U   9           H4*        U   9  -5.148   1.118  29.728
   90    H3*    U   9           H3*        U   9  -5.657   3.556  28.011
   91    H2*    U   9          1H2*        U   9  -3.333   4.136  28.330
   92   2HO*    U   9          2HO*        U   9  -3.361   3.107  30.597
   93    H1*    U   9           H1*        U   9  -2.438   1.658  27.676
   94    H3     U   9           H3         U   9  -1.881   4.616  24.148
   95    H5     U   9           H5         U   9  -5.620   2.885  23.561
   96    H6     U   9           H6         U   9  -5.446   1.791  25.720
   97   1H5*    C  10          1H5*        C  10  -3.220   4.880  31.539
   98   2H5*    C  10          2H5*        C  10  -4.174   6.171  32.276
   99    H4*    C  10           H4*        C  10  -1.846   6.836  32.141
  100    H3*    C  10           H3*        C  10  -3.733   8.333  30.303
  101    H2*    C  10          1H2*        C  10  -1.919   9.779  29.778
  102   2HO*    C  10          2HO*        C  10  -1.175   9.710  32.127
  103    H1*    C  10           H1*        C  10   0.007   7.774  29.706
  104   1H4     C  10          1H4         C  10  -2.619   7.691  23.741
  105   2H4     C  10          2H4         C  10  -1.559   9.077  23.743
  106    H5     C  10           H5         C  10  -3.205   6.498  25.678
  107    H6     C  10           H6         C  10  -2.903   6.380  28.095
  108   1H5*    U  11          1H5*        U  11  -2.726  11.884  32.178
  109   2H5*    U  11          2H5*        U  11  -4.263  12.691  32.545
  110    H4*    U  11           H4*        U  11  -3.107  14.040  30.920
  111    H3*    U  11           H3*        U  11  -5.194  12.356  29.525
  112    H2*    U  11          1H2*        U  11  -4.889  13.704  27.619
  113   2HO*    U  11          2HO*        U  11  -4.001  15.621  29.283
  114    H1*    U  11           H1*        U  11  -2.143  13.488  27.883
  115    H3     U  11           H3         U  11  -3.099  10.866  24.299
  116    H5     U  11           H5         U  11  -5.032   8.884  27.413
  117    H6     U  11           H6         U  11  -4.137  10.537  28.979
  118   1H5*    A  12          1H5*        A  12  -8.710  16.305  29.854
  119   2H5*    A  12          2H5*        A  12  -8.250  14.699  29.282
  120    H4*    A  12           H4*        A  12  -9.551  16.017  27.607
  121    H3*    A  12           H3*        A  12  -6.746  15.103  26.959
  122    H2*    A  12          1H2*        A  12  -7.070  15.943  24.736
  123   2HO*    A  12          2HO*        A  12  -9.378  15.201  24.687
  124    H1*    A  12           H1*        A  12  -8.261  18.287  25.485
  125    H8     A  12           H8         A  12  -5.585  17.775  28.073
  126   1H6     A  12          1H6         A  12  -1.902  19.894  25.441
  127   2H6     A  12          2H6         A  12  -1.853  20.328  23.726
  128    H2     A  12           H2         A  12  -5.532  19.256  21.797
  129   1H5*    A  13          1H5*        A  13  -5.512  11.985  24.118
  130   2H5*    A  13          2H5*        A  13  -4.982  13.219  25.296
  131    H4*    A  13           H4*        A  13  -5.797  13.944  22.475
  132    H3*    A  13           H3*        A  13  -2.999  13.245  23.444
  133    H2*    A  13          1H2*        A  13  -2.310  14.677  21.617
  134   2HO*    A  13          2HO*        A  13  -3.858  15.561  20.158
  135    H1*    A  13           H1*        A  13  -4.102  16.642  22.325
  136    H8     A  13           H8         A  13  -3.059  15.400  25.673
  137   1H6     A  13          1H6         A  13   1.401  17.666  25.868
  138   2H6     A  13          2H6         A  13   2.317  18.450  24.576
  139    H2     A  13           H2         A  13   0.159  18.241  20.867
  140   1H5*    C  14          1H5*        C  14  -2.423  13.282  19.413
  141   2H5*    C  14          2H5*        C  14  -1.480  11.869  18.911
  142    H4*    C  14           H4*        C  14  -0.416  13.981  18.245
  143    H3*    C  14           H3*        C  14   1.061  12.298  20.265
  144    H2*    C  14          1H2*        C  14   2.909  13.814  19.970
  145   2HO*    C  14          2HO*        C  14   2.332  14.132  17.585
  146    H1*    C  14           H1*        C  14   1.405  16.055  20.207
  147   1H4     C  14          1H4         C  14   1.900  13.640  26.325
  148   2H4     C  14          2H4         C  14   3.390  14.525  25.991
  149    H5     C  14           H5         C  14   0.214  13.272  24.587
  150    H6     C  14           H6         C  14  -0.334  13.695  22.299
  151   1H5*    C  15          1H5*        C  15   4.159  12.746  18.201
  152   2H5*    C  15          2H5*        C  15   5.022  11.244  17.834
  153    H4*    C  15           H4*        C  15   6.359  12.726  19.290
  154    H3*    C  15           H3*        C  15   5.389  10.146  20.536
  155    H2*    C  15          1H2*        C  15   6.707  10.689  22.465
  156   2HO*    C  15          2HO*        C  15   8.503  11.635  21.159
  157    H1*    C  15           H1*        C  15   5.933  13.316  22.567
  158   1H4     C  15          1H4         C  15   0.951   9.882  25.238
  159   2H4     C  15          2H4         C  15   2.172  10.139  26.451
  160    H5     C  15           H5         C  15   1.363  10.573  22.890
  161    H6     C  15           H6         C  15   2.990  11.578  21.401
  162   1H5*    G  16          1H5*        G  16   7.862   6.600  21.795
  163   2H5*    G  16          2H5*        G  16   6.204   7.166  21.524
  164    H4*    G  16           H4*        G  16   7.888   8.077  23.892
  165    H3*    G  16           H3*        G  16   5.995   5.753  23.526
  166    H2*    G  16          1H2*        G  16   5.273   6.029  25.795
  167   2HO*    G  16          2HO*        G  16   6.196   7.586  27.194
  168    H1*    G  16           H1*        G  16   4.817   8.698  25.515
  169    H8     G  16           H8         G  16   3.969   7.982  22.079
  170    H1     G  16           H1         G  16  -0.165   5.003  26.035
  171   1H2     G  16          1H2         G  16   2.153   5.920  28.429
  172   2H2     G  16          2H2         G  16   0.600   5.146  28.130
  173   1H5*    G  17          1H5*        G  17   7.170   4.817  27.139
  174   2H5*    G  17          2H5*        G  17   7.955   3.231  27.204
  175    H4*    G  17           H4*        G  17   6.141   3.362  28.841
  176    H3*    G  17           H3*        G  17   5.705   1.490  26.508
  177    H2*    G  17          1H2*        G  17   3.700   0.738  27.575
  178   2HO*    G  17          2HO*        G  17   4.587   0.818  29.788
  179    H1*    G  17           H1*        G  17   2.799   3.233  28.192
  180    H8     G  17           H8         G  17   4.354   3.968  24.925
  181    H1     G  17           H1         G  17  -1.103   0.562  24.410
  182   1H2     G  17          1H2         G  17  -1.490  -0.455  26.348
  183   2H2     G  17          2H2         G  17  -0.455  -0.110  27.744
  184   1H5*    G  18          1H5*        G  18   5.646  -3.275  27.663
  185   2H5*    G  18          2H5*        G  18   5.096  -2.281  26.301
  186    H4*    G  18           H4*        G  18   3.369  -2.966  28.724
  187    H3*    G  18           H3*        G  18   3.669  -4.222  25.985
  188    H2*    G  18          1H2*        G  18   1.350  -4.805  26.068
  189   2HO*    G  18          2HO*        G  18   1.323  -5.381  28.363
  190    H1*    G  18           H1*        G  18   0.554  -2.366  27.052
  191    H8     G  18           H8         G  18   3.055  -1.147  24.689
  192    H1     G  18           H1         G  18  -2.267  -3.350  21.774
  193   1H2     G  18          1H2         G  18  -3.329  -4.725  23.163
  194   2H2     G  18          2H2         G  18  -2.717  -4.939  24.814
  195   1H5*    U  19          1H5*        U  19   2.676  -9.047  25.912
  196   2H5*    U  19          2H5*        U  19   2.487  -7.691  24.793
  197    H4*    U  19           H4*        U  19   0.268  -8.843  26.552
  198    H3*    U  19           H3*        U  19   1.138  -9.256  23.687
  199    H2*    U  19          1H2*        U  19  -1.148  -9.567  23.044
  200   2HO*    U  19          2HO*        U  19  -1.665 -10.605  25.234
  201    H1*    U  19           H1*        U  19  -2.023  -7.337  24.316
  202    H3     U  19           H3         U  19  -1.512  -6.402  19.781
  203    H5     U  19           H5         U  19   1.864  -4.907  21.742
  204    H6     U  19           H6         U  19   1.219  -6.106  23.739
  205   1H5*    G  20          1H5*        G  20  -1.423 -12.442  24.002
  206   2H5*    G  20          2H5*        G  20  -0.627 -13.924  23.452
  207    H4*    G  20           H4*        G  20  -2.660 -13.532  22.180
  208    H3*    G  20           H3*        G  20  -0.133 -13.062  20.572
  209    H2*    G  20          1H2*        G  20  -1.603 -12.982  18.643
  210   2HO*    G  20          2HO*        G  20  -3.141 -14.629  19.709
  211    H1*    G  20           H1*        G  20  -3.320 -11.243  19.849
  212    H8     G  20           H8         G  20   0.051 -10.274  21.219
  213    H1     G  20           H1         G  20  -0.919  -8.431  15.109
  214   1H2     G  20          1H2         G  20  -2.625  -9.599  14.290
  215   2H2     G  20          2H2         G  20  -3.547 -10.678  15.347
  216   1H5*    A  21          1H5*        A  21  -2.341 -15.871  18.318
  217   2H5*    A  21          2H5*        A  21  -1.281 -17.175  17.773
  218    H4*    A  21           H4*        A  21  -2.528 -16.200  15.907
  219    H3*    A  21           H3*        A  21   0.446 -15.626  15.850
  220    H2*    A  21          1H2*        A  21   0.064 -14.843  13.605
  221   2HO*    A  21          2HO*        A  21  -1.475 -16.410  12.916
  222    H1*    A  21           H1*        A  21  -2.169 -13.400  14.294
  223    H8     A  21           H8         A  21   0.357 -13.149  17.127
  224   1H6     A  21          1H6         A  21   2.798  -8.530  13.634
  225   2H6     A  21          2H6         A  21   2.880  -9.291  15.221
  226    H2     A  21           H2         A  21  -0.150 -10.605  11.230
  227   1H5*    G  22          1H5*        G  22   1.852 -18.215  11.390
  228   2H5*    G  22          2H5*        G  22   2.298 -16.666  12.132
  229    H4*    G  22           H4*        G  22   0.005 -17.043  10.160
  230    H3*    G  22           H3*        G  22   2.873 -16.171   9.843
  231    H2*    G  22          1H2*        G  22   2.226 -14.507   8.261
  232   2HO*    G  22          2HO*        G  22   0.418 -16.024   7.434
  233    H1*    G  22           H1*        G  22   0.157 -13.523   9.722
  234    H8     G  22           H8         G  22   2.164 -14.300  12.642
  235    H1     G  22           H1         G  22   4.784  -9.540   9.176
  236   1H2     G  22          1H2         G  22   3.979  -9.600   7.126
  237   2H2     G  22          2H2         G  22   2.753 -10.796   6.707
  238   1H5*    C  23          1H5*        C  23   2.339 -15.964   6.044
  239   2H5*    C  23          2H5*        C  23   3.445 -17.031   5.166
  240    H4*    C  23           H4*        C  23   3.824 -14.758   4.453
  241    H3*    C  23           H3*        C  23   6.031 -15.801   6.248
  242    H2*    C  23          1H2*        C  23   7.253 -13.809   5.651
  243   2HO*    C  23          2HO*        C  23   6.281 -13.815   3.383
  244    H1*    C  23           H1*        C  23   5.117 -12.154   6.065
  245   1H4     C  23          1H4         C  23   7.015 -13.509  12.197
  246   2H4     C  23          2H4         C  23   7.954 -12.122  11.626
  247    H5     C  23           H5         C  23   5.563 -14.761  10.702
  248    H6     C  23           H6         C  23   4.709 -14.877   8.434
  249   1H5*    C  24          2H5*        C  24   8.025 -14.556   2.636
  250   2H5*    C  24          1H5*        C  24   9.300 -15.717   2.242
  251    H4*    C  24           H4*        C  24  10.200 -13.441   2.433
  252    H3*    C  24           H3*        C  24  11.071 -15.311   4.665
  253    H2*    C  24          1H2*        C  24  12.582 -13.599   5.323
  254   2HO*    C  24          2HO*        C  24  13.153 -13.042   3.037
  255    H1*    C  24           H1*        C  24  10.769 -11.524   4.834
  256   1H4     C  24          1H4         C  24  10.136 -14.002  10.952
  257   2H4     C  24          2H4         C  24  11.059 -12.496  11.013
  258    H5     C  24           H5         C  24   9.404 -14.950   8.821
  259    H6     C  24           H6         C  24   9.432 -14.620   6.392
  260   1H    GLU   8          1H        GLU   8 -13.535   8.854   9.558
  261   2H    GLU   8          2H        GLU   8 -12.513   7.649   9.107
  262   3H    GLU   8          3H        GLU   8 -12.828   8.879   8.080
  263    HA   GLU   8           HA       GLU   8 -11.740  10.463   9.474
  264   1HB   GLU   8          2HB       GLU   8 -10.519   9.776  11.470
  265   2HB   GLU   8          1HB       GLU   8 -12.251   9.513  11.639
  266   1HG   GLU   8          2HG       GLU   8 -11.969   7.098  11.290
  267   2HG   GLU   8          1HG       GLU   8 -10.250   7.315  10.948
  268    H    SER   9           H        SER   9  -9.528  10.969   9.207
  269    HA   SER   9           HA       SER   9  -8.211   9.585   7.074
  270   1HB   SER   9          2HB       SER   9  -7.102  11.693   8.967
  271   2HB   SER   9          1HB       SER   9  -6.464  11.267   7.370
  272    HG   SER   9           HG       SER   9  -8.428  12.005   6.450
  273    H    LYS  10           H        LYS  10  -7.973   9.144  10.496
  274    HA   LYS  10           HA       LYS  10  -5.280   7.887  10.418
  275   1HB   LYS  10          2HB       LYS  10  -7.176   8.550  12.702
  276   2HB   LYS  10          1HB       LYS  10  -5.633   7.733  12.905
  277   1HG   LYS  10          2HG       LYS  10  -5.941  10.505  11.670
  278   2HG   LYS  10          1HG       LYS  10  -5.685  10.228  13.381
  279   1HD   LYS  10          2HD       LYS  10  -3.764   9.462  11.139
  280   2HD   LYS  10          1HD       LYS  10  -3.595  10.823  12.235
  281   1HE   LYS  10          2HE       LYS  10  -3.459   7.870  12.985
  282   2HE   LYS  10          1HE       LYS  10  -2.112   9.003  12.889
  283   1HZ   LYS  10          1HZ       LYS  10  -3.210  10.282  14.705
  284   2HZ   LYS  10          2HZ       LYS  10  -2.770   8.780  15.167
  285   3HZ   LYS  10          3HZ       LYS  10  -4.339   9.092  14.854
  286    H    GLY  11           H        GLY  11  -8.186   6.788  12.195
  287   1HA   GLY  11          2HA       GLY  11  -9.200   4.725  12.324
  288   2HA   GLY  11          1HA       GLY  11  -8.316   4.190  10.899
  289    H    THR  12           H        THR  12  -6.087   5.315  13.231
  290    HA   THR  12           HA       THR  12  -5.015   2.665  13.648
  291    HB   THR  12           HB       THR  12  -3.339   3.718  15.041
  292    HG1  THR  12           HG1      THR  12  -3.432   5.874  15.535
  293   1HG2  THR  12          1HG2      THR  12  -3.933   5.569  12.695
  294   2HG2  THR  12          2HG2      THR  12  -3.108   3.998  12.577
  295   3HG2  THR  12          3HG2      THR  12  -2.372   5.320  13.502
  296    H    ALA  13           H        ALA  13  -4.501   1.725  15.787
  297    HA   ALA  13           HA       ALA  13  -6.760   1.294  17.440
  298   1HB   ALA  13          1HB       ALA  13  -3.797   0.925  18.075
  299   2HB   ALA  13          2HB       ALA  13  -4.847  -0.246  17.241
  300   3HB   ALA  13          3HB       ALA  13  -5.159   0.171  18.934
  301    H    LYS  14           H        LYS  14  -4.050   3.584  17.860
  302    HA   LYS  14           HA       LYS  14  -4.904   4.694  20.391
  303   1HB   LYS  14          2HB       LYS  14  -3.275   6.023  18.176
  304   2HB   LYS  14          1HB       LYS  14  -3.532   6.644  19.804
  305   1HG   LYS  14          2HG       LYS  14  -2.550   4.094  20.320
  306   2HG   LYS  14          1HG       LYS  14  -1.674   4.533  18.857
  307   1HD   LYS  14          2HD       LYS  14  -1.825   6.163  21.434
  308   2HD   LYS  14          1HD       LYS  14  -0.460   5.155  20.936
  309   1HE   LYS  14          2HE       LYS  14   0.005   6.585  19.032
  310   2HE   LYS  14          1HE       LYS  14  -1.469   7.524  19.305
  311   1HZ   LYS  14          1HZ       LYS  14  -0.554   8.329  21.367
  312   2HZ   LYS  14          2HZ       LYS  14   0.514   8.634  20.161
  313   3HZ   LYS  14          3HZ       LYS  14   0.797   7.409  21.220
  314    H    SER  15           H        SER  15  -5.536   5.780  17.045
  315    HA   SER  15           HA       SER  15  -7.059   8.084  17.788
  316   1HB   SER  15          2HB       SER  15  -7.304   6.494  15.209
  317   2HB   SER  15          1HB       SER  15  -7.792   8.180  15.490
  318    HG   SER  15           HG       SER  15  -5.209   7.034  15.418
  319    H    ARG  16           H        ARG  16  -8.140   4.777  16.963
  320    HA   ARG  16           HA       ARG  16 -10.967   5.310  17.420
  321   1HB   ARG  16          2HB       ARG  16  -9.369   2.722  17.214
  322   2HB   ARG  16          1HB       ARG  16 -11.127   2.787  17.435
  323   1HG   ARG  16          2HG       ARG  16 -11.331   4.196  15.384
  324   2HG   ARG  16          1HG       ARG  16  -9.599   4.016  15.088
  325   1HD   ARG  16          2HD       ARG  16 -11.580   1.709  15.268
  326   2HD   ARG  16          1HD       ARG  16 -11.092   2.485  13.766
  327    HE   ARG  16           HE       ARG  16  -8.767   1.773  14.173
  328   1HH1  ARG  16          1HH1      ARG  16 -11.247  -0.170  15.821
  329   2HH1  ARG  16          2HH1      ARG  16 -10.148  -1.555  15.780
  330   1HH2  ARG  16          1HH2      ARG  16  -7.563  -0.109  14.268
  331   2HH2  ARG  16          2HH2      ARG  16  -8.320  -1.519  15.028
  332    H    TYR  17           H        TYR  17  -8.390   4.171  19.618
  333    HA   TYR  17           HA       TYR  17 -10.157   3.808  21.875
  334   1HB   TYR  17          2HB       TYR  17  -7.876   2.905  21.824
  335   2HB   TYR  17          1HB       TYR  17  -7.204   4.535  21.797
  336    HD1  TYR  17           HD1      TYR  17  -9.380   2.235  23.797
  337    HD2  TYR  17           HD2      TYR  17  -6.771   5.673  23.859
  338    HE1  TYR  17           HE1      TYR  17  -9.569   2.344  26.286
  339    HE2  TYR  17           HE2      TYR  17  -6.895   5.721  26.344
  340    HH   TYR  17           HH       TYR  17  -7.766   4.731  28.234
  341    H    LYS  18           H        LYS  18  -8.334   6.665  20.709
  342    HA   LYS  18           HA       LYS  18  -9.089   8.441  22.790
  343   1HB   LYS  18          2HB       LYS  18  -7.252   8.753  21.172
  344   2HB   LYS  18          1HB       LYS  18  -8.427   9.134  19.903
  345   1HG   LYS  18          2HG       LYS  18  -9.077  11.172  20.986
  346   2HG   LYS  18          1HG       LYS  18  -8.368  10.667  22.528
  347   1HD   LYS  18          2HD       LYS  18  -6.971  12.354  21.545
  348   2HD   LYS  18          1HD       LYS  18  -6.108  10.811  21.585
  349   1HE   LYS  18          2HE       LYS  18  -6.743  10.494  19.147
  350   2HE   LYS  18          1HE       LYS  18  -7.429  12.127  19.169
  351   1HZ   LYS  18          1HZ       LYS  18  -4.591  11.407  19.701
  352   2HZ   LYS  18          2HZ       LYS  18  -5.174  12.926  19.827
  353   3HZ   LYS  18          3HZ       LYS  18  -5.150  12.183  18.361
  354    H    ALA  19           H        ALA  19 -10.996   7.452  20.002
  355    HA   ALA  19           HA       ALA  19 -13.126   9.362  20.332
  356   1HB   ALA  19          1HB       ALA  19 -12.871   7.888  18.351
  357   2HB   ALA  19          2HB       ALA  19 -14.481   7.768  19.085
  358   3HB   ALA  19          3HB       ALA  19 -13.294   6.480  19.353
  359    H    ARG  20           H        ARG  20 -12.556   6.187  21.875
  360    HA   ARG  20           HA       ARG  20 -14.925   6.103  23.528
  361   1HB   ARG  20          2HB       ARG  20 -12.242   4.885  24.287
  362   2HB   ARG  20          1HB       ARG  20 -13.845   4.376  24.786
  363   1HG   ARG  20          2HG       ARG  20 -14.340   3.599  22.484
  364   2HG   ARG  20          1HG       ARG  20 -12.746   4.169  21.952
  365   1HD   ARG  20          2HD       ARG  20 -11.709   2.657  23.697
  366   2HD   ARG  20          1HD       ARG  20 -13.314   1.942  23.934
  367    HE   ARG  20           HE       ARG  20 -12.823   1.847  21.165
  368   1HH1  ARG  20          2HH1      ARG  20 -11.301   0.330  23.991
  369   2HH1  ARG  20          1HH1      ARG  20 -10.695  -0.962  22.941
  370   1HH2  ARG  20          1HH2      ARG  20 -11.970   0.066  20.053
  371   2HH2  ARG  20          2HH2      ARG  20 -11.040  -1.097  21.005
  372    H    ARG  21           H        ARG  21 -11.662   7.286  24.155
  373    HA   ARG  21           HA       ARG  21 -11.997   8.341  26.803
  374   1HB   ARG  21          2HB       ARG  21 -10.258   9.369  24.527
  375   2HB   ARG  21          1HB       ARG  21 -10.168   9.915  26.186
  376   1HG   ARG  21          2HG       ARG  21  -9.801   6.969  25.594
  377   2HG   ARG  21          1HG       ARG  21  -8.492   8.095  25.241
  378   1HD   ARG  21          2HD       ARG  21  -9.820   7.838  27.965
  379   2HD   ARG  21          1HD       ARG  21  -8.323   7.035  27.491
  380    HE   ARG  21           HE       ARG  21  -8.233   9.934  27.092
  381   1HH1  ARG  21          1HH1      ARG  21  -7.390   7.386  29.369
  382   2HH1  ARG  21          2HH1      ARG  21  -6.733   8.540  30.503
  383   1HH2  ARG  21          1HH2      ARG  21  -7.021  11.213  28.401
  384   2HH2  ARG  21          2HH2      ARG  21  -6.537  10.601  29.986
  385    H    ALA  22           H        ALA  22 -12.363  10.096  23.692
  386    HA   ALA  22           HA       ALA  22 -13.272  12.538  24.763
  387   1HB   ALA  22          1HB       ALA  22 -12.497  12.232  22.449
  388   2HB   ALA  22          2HB       ALA  22 -14.106  12.977  22.487
  389   3HB   ALA  22          3HB       ALA  22 -13.937  11.257  22.078
  390    H    GLU  23           H        GLU  23 -15.267   9.727  23.715
  391    HA   GLU  23           HA       GLU  23 -17.819  10.836  24.386
  392   1HB   GLU  23          2HB       GLU  23 -16.797   7.977  24.254
  393   2HB   GLU  23          1HB       GLU  23 -18.472   8.361  24.631
  394   1HG   GLU  23          2HG       GLU  23 -17.090   9.300  22.081
  395   2HG   GLU  23          1HG       GLU  23 -17.986   7.792  22.214
  396    H    LEU  24           H        LEU  24 -15.564   8.938  26.457
  397    HA   LEU  24           HA       LEU  24 -17.201   8.997  28.803
  398   1HB   LEU  24          2HB       LEU  24 -15.313   7.470  28.519
  399   2HB   LEU  24          1HB       LEU  24 -14.184   8.820  28.466
  400    HG   LEU  24           HG       LEU  24 -14.713   9.387  30.824
  401   1HD1  LEU  24          1HD1      LEU  24 -17.008   8.523  31.026
  402   2HD1  LEU  24          2HD1      LEU  24 -15.961   7.742  32.213
  403   3HD1  LEU  24          3HD1      LEU  24 -16.432   6.865  30.739
  404   1HD2  LEU  24          1HD2      LEU  24 -12.845   7.878  30.280
  405   2HD2  LEU  24          2HD2      LEU  24 -13.935   6.476  30.384
  406   3HD2  LEU  24          3HD2      LEU  24 -13.587   7.452  31.831
  407    H    ILE  25           H        ILE  25 -14.639  11.240  27.739
  408    HA   ILE  25           HA       ILE  25 -14.789  13.070  29.941
  409    HB   ILE  25           HB       ILE  25 -13.725  13.226  27.130
  410   1HG1  ILE  25          2HG1      ILE  25 -12.275  13.294  29.823
  411   2HG1  ILE  25          1HG1      ILE  25 -12.646  11.794  28.994
  412   1HG2  ILE  25          1HG2      ILE  25 -12.544  15.342  27.733
  413   2HG2  ILE  25          2HG2      ILE  25 -13.474  15.415  29.242
  414   3HG2  ILE  25          3HG2      ILE  25 -14.278  15.550  27.655
  415   1HD1  ILE  25          1HD1      ILE  25 -10.802  13.975  27.980
  416   2HD1  ILE  25          2HD1      ILE  25 -11.321  12.573  27.012
  417   3HD1  ILE  25          3HD1      ILE  25 -10.381  12.338  28.498
  418    H    ALA  26           H        ALA  26 -16.852  12.793  27.123
  419    HA   ALA  26           HA       ALA  26 -18.335  15.271  27.697
  420   1HB   ALA  26          1HB       ALA  26 -19.846  14.460  25.951
  421   2HB   ALA  26          2HB       ALA  26 -18.985  12.910  25.887
  422   3HB   ALA  26          3HB       ALA  26 -18.160  14.407  25.403
  423    H    GLU  27           H        GLU  27 -18.953  11.748  28.095
  424    HA   GLU  27           HA       GLU  27 -21.515  11.981  29.273
  425   1HB   GLU  27          2HB       GLU  27 -20.551   9.981  28.172
  426   2HB   GLU  27          1HB       GLU  27 -19.479   9.734  29.558
  427   1HG   GLU  27          2HG       GLU  27 -21.413   9.345  31.020
  428   2HG   GLU  27          1HG       GLU  27 -22.524   9.774  29.715
  429    H    ARG  28           H        ARG  28 -18.349  11.988  30.861
  430    HA   ARG  28           HA       ARG  28 -19.229  11.573  33.555
  431   1HB   ARG  28          2HB       ARG  28 -16.991  12.331  34.203
  432   2HB   ARG  28          1HB       ARG  28 -16.945  11.246  32.826
  433   1HG   ARG  28          2HG       ARG  28 -15.428  12.815  32.144
  434   2HG   ARG  28          1HG       ARG  28 -16.884  13.446  31.382
  435   1HD   ARG  28          2HD       ARG  28 -17.088  14.988  33.457
  436   2HD   ARG  28          1HD       ARG  28 -15.452  14.448  33.856
  437    HE   ARG  28           HE       ARG  28 -15.712  15.384  31.100
  438   1HH1  ARG  28          1HH2      ARG  28 -15.330  16.649  34.346
  439   2HH1  ARG  28          2HH2      ARG  28 -14.632  18.141  33.772
  440   1HH2  ARG  28          1HH1      ARG  28 -14.762  17.259  30.449
  441   2HH2  ARG  28          2HH1      ARG  28 -14.336  18.473  31.624
  442    H    ARG  29           H        ARG  29 -19.729  14.347  31.708
  443    HA   ARG  29           HA       ARG  29 -19.296  16.438  33.652
  444   1HB   ARG  29          2HB       ARG  29 -20.916  16.439  31.075
  445   2HB   ARG  29          1HB       ARG  29 -20.465  17.877  32.000
  446   1HG   ARG  29          2HG       ARG  29 -18.066  17.399  31.645
  447   2HG   ARG  29          1HG       ARG  29 -18.473  15.920  30.762
  448   1HD   ARG  29          2HD       ARG  29 -19.781  17.359  29.131
  449   2HD   ARG  29          1HD       ARG  29 -19.086  18.775  29.949
  450    HE   ARG  29           HE       ARG  29 -17.144  16.751  29.049
  451   1HH1  ARG  29          1HH1      ARG  29 -18.823  19.648  28.003
  452   2HH1  ARG  29          2HH1      ARG  29 -17.668  19.955  26.731
  453   1HH2  ARG  29          1HH2      ARG  29 -15.731  17.209  27.430
  454   2HH2  ARG  29          2HH2      ARG  29 -15.969  18.613  26.427
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  19.847  -0.100  12.956
    2   2H5*    G   1          2H5*        G   1  19.176  -1.677  12.494
    3    H4*    G   1           H4*        G   1  20.285   0.372  10.519
    4    H3*    G   1           H3*        G   1  17.458  -0.244  11.407
    5    H2*    G   1          1H2*        G   1  16.756   0.432   9.206
    6   2HO*    G   1          2HO*        G   1  18.244   2.216   8.938
    7    H1*    G   1           H1*        G   1  18.728  -0.989   7.935
    8    H8     G   1           H8         G   1  17.662  -3.082  10.885
    9    H1     G   1           H1         G   1  13.618  -3.374   5.864
   10   1H2     G   1          1H2         G   1  14.111  -1.750   4.448
   11   2H2     G   1          2H2         G   1  15.500  -0.696   4.748
   12   1H5*    G   2          2H5*        G   2  14.581   3.958  10.634
   13   2H5*    G   2          1H5*        G   2  14.346   2.200  10.658
   14    H4*    G   2           H4*        G   2  15.060   3.843   8.187
   15    H3*    G   2           H3*        G   2  12.491   2.668   9.269
   16    H2*    G   2          1H2*        G   2  11.787   2.142   7.046
   17   2HO*    G   2          2HO*        G   2  12.931   4.179   6.182
   18    H1*    G   2           H1*        G   2  14.110   0.970   6.315
   19    H8     G   2           H8         G   2  14.308  -0.001   9.839
   20    H1     G   2           H1         G   2   9.577  -3.114   6.746
   21   1H2     G   2          1H2         G   2   9.100  -2.030   4.874
   22   2H2     G   2          2H2         G   2  10.076  -0.630   4.400
   23   1H5*    U   3          1H5*        U   3  10.599   4.454   6.450
   24   2H5*    U   3          2H5*        U   3   9.235   5.427   7.021
   25    H4*    U   3           H4*        U   3   8.517   3.594   5.540
   26    H3*    U   3           H3*        U   3   7.632   3.303   8.420
   27    H2*    U   3          1H2*        U   3   6.258   1.462   7.621
   28   2HO*    U   3          2HO*        U   3   5.916   2.588   5.450
   29    H1*    U   3           H1*        U   3   8.288   0.344   6.198
   30    H3     U   3           H3         U   3   7.670  -2.262   9.903
   31    H5     U   3           H5         U   3  10.374   0.687  11.103
   32    H6     U   3           H6         U   3   9.981   1.866   9.005
   33   1H5*    U   4          1H5*        U   4   4.130   3.138   5.651
   34   2H5*    U   4          2H5*        U   4   2.761   3.963   6.396
   35    H4*    U   4           H4*        U   4   2.191   1.701   5.570
   36    H3*    U   4           H3*        U   4   2.015   2.107   8.563
   37    H2*    U   4          1H2*        U   4   0.921  -0.038   8.621
   38   2HO*    U   4          2HO*        U   4  -0.347   0.117   6.721
   39    H1*    U   4           H1*        U   4   2.710  -1.222   6.924
   40    H3     U   4           H3         U   4   3.618  -3.042  10.995
   41    H5     U   4           H5         U   4   5.554   0.664  11.076
   42    H6     U   4           H6         U   4   4.435   1.259   8.989
   43   1H5*    C   5          1H5*        C   5  -3.318   1.135   9.058
   44   2H5*    C   5          2H5*        C   5  -1.901   0.818  10.066
   45    H4*    C   5           H4*        C   5  -2.957  -1.040   7.885
   46    H3*    C   5           H3*        C   5  -3.178  -0.968  10.896
   47    H2*    C   5          1H2*        C   5  -3.052  -3.351  10.981
   48   2HO*    C   5          2HO*        C   5  -4.305  -3.492   8.839
   49    H1*    C   5           H1*        C   5  -0.958  -3.561   9.251
   50   1H4     C   5          1H4         C   5   2.544  -1.479  14.288
   51   2H4     C   5          2H4         C   5   2.276  -3.212  14.507
   52    H5     C   5           H5         C   5   1.345  -0.220  12.606
   53    H6     C   5           H6         C   5  -0.206  -0.392  10.753
   54   1H5*    A   6          1H5*        A   6  -6.094  -3.812  10.230
   55   2H5*    A   6          2H5*        A   6  -7.563  -3.432  11.147
   56    H4*    A   6           H4*        A   6  -6.614  -5.592  11.832
   57    H3*    A   6           H3*        A   6  -6.402  -3.410  13.928
   58    H2*    A   6          1H2*        A   6  -5.585  -5.120  15.411
   59   2HO*    A   6          2HO*        A   6  -6.986  -6.840  14.773
   60    H1*    A   6           H1*        A   6  -3.891  -6.245  13.587
   61    H8     A   6           H8         A   6  -3.795  -2.488  13.027
   62   1H6     A   6          1H6         A   6   0.642  -2.698  17.477
   63   2H6     A   6          2H6         A   6  -0.019  -1.678  16.201
   64    H2     A   6           H2         A   6  -1.440  -6.502  17.465
   65   1H5*    C   7          1H5*        C   7  -9.050  -5.165  17.944
   66   2H5*    C   7          2H5*        C   7  -7.556  -4.264  17.640
   67    H4*    C   7           H4*        C   7  -7.696  -7.253  18.218
   68    H3*    C   7           H3*        C   7  -7.169  -4.732  19.808
   69    H2*    C   7          1H2*        C   7  -5.631  -5.868  21.186
   70   2HO*    C   7          2HO*        C   7  -6.826  -7.964  21.120
   71    H1*    C   7           H1*        C   7  -4.261  -6.941  19.086
   72   1H4     C   7          1H4         C   7  -2.263  -0.792  18.342
   73   2H4     C   7          2H4         C   7  -1.501  -1.347  19.832
   74    H5     C   7           H5         C   7  -3.984  -2.062  17.228
   75    H6     C   7           H6         C   7  -5.273  -4.109  17.288
   76   1H5*    C   8          1H5*        C   8  -9.124  -3.655  23.799
   77   2H5*    C   8          2H5*        C   8  -7.954  -2.995  22.641
   78    H4*    C   8           H4*        C   8  -7.231  -4.768  25.020
   79    H3*    C   8           H3*        C   8  -7.216  -1.760  24.636
   80    H2*    C   8          1H2*        C   8  -5.335  -1.675  26.127
   81   2HO*    C   8          2HO*        C   8  -6.101  -3.422  27.559
   82    H1*    C   8           H1*        C   8  -4.006  -3.716  24.900
   83   1H4     C   8          1H4         C   8  -3.023   1.199  20.719
   84   2H4     C   8          2H4         C   8  -1.888   1.367  22.079
   85    H5     C   8           H5         C   8  -4.815  -0.424  20.819
   86    H6     C   8           H6         C   8  -5.755  -2.250  22.129
   87   1H5*    U   9          1H5*        U   9  -7.738   0.993  28.519
   88   2H5*    U   9          2H5*        U   9  -7.232   1.139  26.827
   89    H4*    U   9           H4*        U   9  -5.330   0.347  29.081
   90    H3*    U   9           H3*        U   9  -6.167   2.993  27.913
   91    H2*    U   9          1H2*        U   9  -3.998   3.842  28.068
   92   2HO*    U   9          2HO*        U   9  -3.486   2.990  30.175
   93    H1*    U   9           H1*        U   9  -2.723   1.506  27.270
   94    H3     U   9           H3         U   9  -2.122   4.780  24.060
   95    H5     U   9           H5         U   9  -5.551   2.698  22.950
   96    H6     U   9           H6         U   9  -5.545   1.558  25.098
   97   1H5*    C  10          1H5*        C  10  -5.255   6.534  31.450
   98   2H5*    C  10          2H5*        C  10  -5.201   6.541  29.675
   99    H4*    C  10           H4*        C  10  -2.782   6.225  31.506
  100    H3*    C  10           H3*        C  10  -3.956   8.555  29.947
  101    H2*    C  10          1H2*        C  10  -1.785   9.358  29.555
  102   2HO*    C  10          2HO*        C  10  -1.128   8.726  31.846
  103    H1*    C  10           H1*        C  10  -0.626   6.845  29.177
  104   1H4     C  10          1H4         C  10  -2.687   8.195  23.160
  105   2H4     C  10          2H4         C  10  -1.315   9.255  23.395
  106    H5     C  10           H5         C  10  -3.650   6.899  24.906
  107    H6     C  10           H6         C  10  -3.574   6.410  27.289
  108   1H5*    U  11          1H5*        U  11  -2.650  11.511  31.659
  109   2H5*    U  11          2H5*        U  11  -3.976  12.464  32.356
  110    H4*    U  11           H4*        U  11  -3.130  13.687  30.458
  111    H3*    U  11           H3*        U  11  -5.670  12.217  29.697
  112    H2*    U  11          1H2*        U  11  -5.625  13.378  27.670
  113   2HO*    U  11          2HO*        U  11  -5.071  15.454  28.786
  114    H1*    U  11           H1*        U  11  -2.772  13.412  27.589
  115    H3     U  11           H3         U  11  -3.174  11.056  23.779
  116    H5     U  11           H5         U  11  -5.909   9.133  26.305
  117    H6     U  11           H6         U  11  -5.188  10.589  28.137
  118   1H5*    A  12          1H5*        A  12  -9.178  16.348  29.423
  119   2H5*    A  12          2H5*        A  12  -9.334  14.817  28.550
  120    H4*    A  12           H4*        A  12  -9.636  16.659  27.001
  121    H3*    A  12           H3*        A  12  -7.021  15.171  26.658
  122    H2*    A  12          1H2*        A  12  -6.663  16.479  24.705
  123   2HO*    A  12          2HO*        A  12  -8.967  16.266  24.012
  124    H1*    A  12           H1*        A  12  -7.735  18.831  25.749
  125    H8     A  12           H8         A  12  -5.581  17.754  28.525
  126   1H6     A  12          1H6         A  12  -1.387  19.894  26.834
  127   2H6     A  12          2H6         A  12  -1.006  20.494  25.215
  128    H2     A  12           H2         A  12  -4.316  19.857  22.559
  129   1H5*    A  13          1H5*        A  13  -5.954  12.391  23.308
  130   2H5*    A  13          2H5*        A  13  -5.391  13.371  24.680
  131    H4*    A  13           H4*        A  13  -5.687  14.500  21.868
  132    H3*    A  13           H3*        A  13  -3.268  13.316  23.251
  133    H2*    A  13          1H2*        A  13  -1.953  14.804  21.918
  134   2HO*    A  13          2HO*        A  13  -3.133  14.665  19.937
  135    H1*    A  13           H1*        A  13  -3.632  16.935  22.377
  136    H8     A  13           H8         A  13  -3.463  15.221  25.697
  137   1H6     A  13          1H6         A  13   0.868  17.254  27.173
  138   2H6     A  13          2H6         A  13   2.053  18.168  26.232
  139    H2     A  13           H2         A  13   0.804  18.486  22.137
  140   1H5*    C  14          1H5*        C  14  -0.109  11.687  19.451
  141   2H5*    C  14          2H5*        C  14   0.163  12.182  21.131
  142    H4*    C  14           H4*        C  14   0.156  14.028  18.693
  143    H3*    C  14           H3*        C  14   2.259  12.842  20.507
  144    H2*    C  14          1H2*        C  14   3.557  14.801  20.420
  145   2HO*    C  14          2HO*        C  14   2.907  15.221  18.087
  146    H1*    C  14           H1*        C  14   1.490  16.498  20.902
  147   1H4     C  14          1H4         C  14   3.585  14.864  26.608
  148   2H4     C  14          2H4         C  14   2.150  13.870  26.859
  149    H5     C  14           H5         C  14   0.541  13.487  25.068
  150    H6     C  14           H6         C  14   0.086  13.866  22.737
  151   1H5*    C  15          1H5*        C  15   5.055  13.619  19.011
  152   2H5*    C  15          2H5*        C  15   6.163  12.302  18.588
  153    H4*    C  15           H4*        C  15   6.991  13.584  20.522
  154    H3*    C  15           H3*        C  15   6.051  10.775  21.169
  155    H2*    C  15          1H2*        C  15   6.939  11.124  23.371
  156   2HO*    C  15          2HO*        C  15   8.861  12.347  22.543
  157    H1*    C  15           H1*        C  15   5.974  13.702  23.600
  158   1H4     C  15          1H4         C  15   0.889   9.812  25.167
  159   2H4     C  15          2H4         C  15   1.811  10.146  26.601
  160    H5     C  15           H5         C  15   1.746  10.484  22.942
  161    H6     C  15           H6         C  15   3.567  11.630  21.798
  162   1H5*    G  16          1H5*        G  16   7.669   7.196  21.997
  163   2H5*    G  16          2H5*        G  16   6.300   8.291  21.737
  164    H4*    G  16           H4*        G  16   7.625   8.318  24.441
  165    H3*    G  16           H3*        G  16   5.818   6.137  23.388
  166    H2*    G  16          1H2*        G  16   5.041   5.887  25.668
  167   2HO*    G  16          2HO*        G  16   5.884   7.144  27.376
  168    H1*    G  16           H1*        G  16   4.525   8.560  25.887
  169    H8     G  16           H8         G  16   3.842   8.195  22.293
  170    H1     G  16           H1         G  16  -0.465   4.935  25.829
  171   1H2     G  16          1H2         G  16   1.808   5.519  28.346
  172   2H2     G  16          2H2         G  16   0.286   4.749  27.896
  173   1H5*    G  17          1H5*        G  17   7.181   4.561  26.878
  174   2H5*    G  17          2H5*        G  17   7.927   2.976  26.626
  175    H4*    G  17           H4*        G  17   6.298   2.871  28.431
  176    H3*    G  17           H3*        G  17   5.482   1.403  25.910
  177    H2*    G  17          1H2*        G  17   3.674   0.478  27.223
  178   2HO*    G  17          2HO*        G  17   5.105   0.516  29.265
  179    H1*    G  17           H1*        G  17   2.916   2.896  28.202
  180    H8     G  17           H8         G  17   4.106   3.945  24.850
  181    H1     G  17           H1         G  17  -1.333   0.496  24.568
  182   1H2     G  17          1H2         G  17  -1.557  -0.639  26.432
  183   2H2     G  17          2H2         G  17  -0.441  -0.361  27.779
  184   1H5*    G  18          1H5*        G  18   4.969  -1.543  28.765
  185   2H5*    G  18          2H5*        G  18   5.787  -3.031  28.271
  186    H4*    G  18           H4*        G  18   3.411  -3.412  28.809
  187    H3*    G  18           H3*        G  18   4.198  -3.806  25.910
  188    H2*    G  18          1H2*        G  18   2.007  -4.710  25.574
  189   2HO*    G  18          2HO*        G  18   2.079  -5.735  27.845
  190    H1*    G  18           H1*        G  18   0.728  -2.749  27.042
  191    H8     G  18           H8         G  18   3.224  -0.746  25.186
  192    H1     G  18           H1         G  18  -1.605  -3.028  21.554
  193   1H2     G  18          1H2         G  18  -2.422  -4.849  22.562
  194   2H2     G  18          2H2         G  18  -1.857  -5.258  24.185
  195   1H5*    U  19          2H5*        U  19   2.226  -7.453  26.319
  196   2H5*    U  19          1H5*        U  19   3.373  -8.725  25.868
  197    H4*    U  19           H4*        U  19   1.338  -8.893  24.520
  198    H3*    U  19           H3*        U  19   3.816  -7.944  23.084
  199    H2*    U  19          1H2*        U  19   1.490  -8.987  21.492
  200   2HO*    U  19          2HO*        U  19   3.773  -8.308  20.842
  201    H1*    U  19           H1*        U  19   0.138  -7.469  22.284
  202    H3     U  19           H3         U  19   0.258  -4.566  18.815
  203    H5     U  19           H5         U  19   3.077  -3.004  21.504
  204    H6     U  19           H6         U  19   2.686  -4.928  22.970
  205   1H5*    G  20          1H5*        G  20   2.706 -12.448  20.359
  206   2H5*    G  20          2H5*        G  20   2.967 -10.702  20.218
  207    H4*    G  20           H4*        G  20   0.355 -12.122  19.511
  208    H3*    G  20           H3*        G  20   2.666 -11.236  17.767
  209    H2*    G  20          1H2*        G  20   1.072 -10.950  15.996
  210   2HO*    G  20          2HO*        G  20  -0.284 -12.757  16.422
  211    H1*    G  20           H1*        G  20  -0.674  -9.566  17.553
  212    H8     G  20           H8         G  20   2.788  -8.739  18.756
  213    H1     G  20           H1         G  20   0.878  -5.262  13.682
  214   1H2     G  20          1H2         G  20  -0.767  -6.303  12.663
  215   2H2     G  20          2H2         G  20  -1.432  -7.798  13.336
  216   1H5*    A  21          1H5*        A  21   4.121 -13.585  14.058
  217   2H5*    A  21          2H5*        A  21   4.812 -12.001  14.417
  218    H4*    A  21           H4*        A  21   1.993 -12.547  13.382
  219    H3*    A  21           H3*        A  21   4.485 -11.235  12.276
  220    H2*    A  21          1H2*        A  21   3.061  -9.921  10.861
  221   2HO*    A  21          2HO*        A  21   1.495 -11.584  10.365
  222    H1*    A  21           H1*        A  21   1.312  -9.301  12.883
  223    H8     A  21           H8         A  21   4.602  -9.406  14.637
  224   1H6     A  21          1H6         A  21   5.338  -3.561  12.539
  225   2H6     A  21          2H6         A  21   6.028  -4.792  13.595
  226    H2     A  21           H2         A  21   1.968  -5.310  10.412
  227   1H5*    G  22          1H5*        G  22   4.472 -11.998   7.134
  228   2H5*    G  22          2H5*        G  22   5.036 -10.700   8.201
  229    H4*    G  22           H4*        G  22   2.308 -10.809   6.838
  230    H3*    G  22           H3*        G  22   4.913  -9.407   6.246
  231    H2*    G  22          1H2*        G  22   3.776  -7.419   5.603
  232   2HO*    G  22          2HO*        G  22   1.928  -8.836   4.661
  233    H1*    G  22           H1*        G  22   2.060  -7.355   7.708
  234    H8     G  22           H8         G  22   4.776  -8.793   9.639
  235    H1     G  22           H1         G  22   6.073  -2.727   7.907
  236   1H2     G  22          1H2         G  22   4.886  -2.220   6.107
  237   2H2     G  22          2H2         G  22   3.691  -3.369   5.502
  238   1H5*    C  23          1H5*        C  23   3.289  -8.046   2.937
  239   2H5*    C  23          2H5*        C  23   4.230  -8.513   1.511
  240    H4*    C  23           H4*        C  23   4.104  -6.093   1.657
  241    H3*    C  23           H3*        C  23   6.846  -7.202   2.308
  242    H2*    C  23          1H2*        C  23   7.620  -4.916   2.310
  243   2HO*    C  23          2HO*        C  23   5.994  -4.360   0.510
  244    H1*    C  23           H1*        C  23   5.526  -3.991   3.801
  245   1H4     C  23          1H4         C  23   9.078  -6.812   8.493
  246   2H4     C  23          2H4         C  23   9.631  -5.144   8.299
  247    H5     C  23           H5         C  23   7.537  -7.826   6.906
  248    H6     C  23           H6         C  23   6.153  -7.385   4.957
  249   1H5*    C  24          1H5*        C  24   7.693  -4.251  -0.726
  250   2H5*    C  24          2H5*        C  24   8.783  -4.992  -1.905
  251    H4*    C  24           H4*        C  24   9.749  -2.922  -1.080
  252    H3*    C  24           H3*        C  24  11.168  -5.407  -0.065
  253    H2*    C  24          1H2*        C  24  12.834  -3.956   0.815
  254   2HO*    C  24          2HO*        C  24  12.757  -2.474  -1.096
  255    H1*    C  24           H1*        C  24  11.023  -2.085   1.766
  256   1H4     C  24          1H4         C  24  11.348  -6.890   6.273
  257   2H4     C  24          2H4         C  24  12.472  -5.602   6.719
  258    H5     C  24           H5         C  24  10.153  -6.843   4.148
  259    H6     C  24           H6         C  24   9.793  -5.538   2.114
  260   1H    GLU   8          1H        GLU   8  -7.472   0.817   8.599
  261   2H    GLU   8          2H        GLU   8  -5.908   1.049   8.218
  262   3H    GLU   8          3H        GLU   8  -6.974   0.646   7.042
  263    HA   GLU   8           HA       GLU   8  -6.379   3.018   6.952
  264   1HB   GLU   8          2HB       GLU   8  -9.274   2.397   7.678
  265   2HB   GLU   8          1HB       GLU   8  -8.710   3.941   7.029
  266   1HG   GLU   8          2HG       GLU   8  -7.856   2.776   4.999
  267   2HG   GLU   8          1HG       GLU   8  -8.502   1.252   5.613
  268    H    SER   9           H        SER   9  -6.071   4.976   8.033
  269    HA   SER   9           HA       SER   9  -5.286   4.986  10.638
  270   1HB   SER   9          2HB       SER   9  -6.419   7.388   9.167
  271   2HB   SER   9          1HB       SER   9  -5.280   7.409  10.528
  272    HG   SER   9           HG       SER   9  -4.213   7.612   8.501
  273    H    LYS  10           H        LYS  10  -8.499   6.033   9.557
  274    HA   LYS  10           HA       LYS  10  -9.548   6.778  12.167
  275   1HB   LYS  10          2HB       LYS  10 -10.913   6.085   9.545
  276   2HB   LYS  10          1HB       LYS  10 -11.726   6.819  10.936
  277   1HG   LYS  10          2HG       LYS  10 -10.256   8.805  10.779
  278   2HG   LYS  10          1HG       LYS  10  -9.438   8.102   9.370
  279   1HD   LYS  10          2HD       LYS  10 -11.597   8.065   8.136
  280   2HD   LYS  10          1HD       LYS  10 -12.397   8.821   9.532
  281   1HE   LYS  10          2HE       LYS  10 -10.882  10.776   9.346
  282   2HE   LYS  10          1HE       LYS  10 -10.060  10.020   7.974
  283   1HZ   LYS  10          1HZ       LYS  10 -12.926  10.814   8.012
  284   2HZ   LYS  10          2HZ       LYS  10 -12.164  10.115   6.745
  285   3HZ   LYS  10          3HZ       LYS  10 -11.736  11.611   7.231
  286    H    GLY  11           H        GLY  11  -9.009   3.711  10.838
  287   1HA   GLY  11          2HA       GLY  11 -11.045   2.331  12.543
  288   2HA   GLY  11          1HA       GLY  11 -10.237   1.653  11.134
  289    H    THR  12           H        THR  12  -7.812   3.251  12.722
  290    HA   THR  12           HA       THR  12  -6.486   0.935  13.744
  291    HB   THR  12           HB       THR  12  -4.978   2.519  14.913
  292    HG1  THR  12           HG1      THR  12  -6.417   4.632  13.774
  293   1HG2  THR  12          1HG2      THR  12  -4.352   2.148  12.654
  294   2HG2  THR  12          2HG2      THR  12  -4.229   3.888  12.935
  295   3HG2  THR  12          3HG2      THR  12  -5.614   3.227  12.034
  296    H    ALA  13           H        ALA  13  -6.028   0.266  15.905
  297    HA   ALA  13           HA       ALA  13  -8.114   0.506  17.850
  298   1HB   ALA  13          1HB       ALA  13  -6.596  -0.648  19.333
  299   2HB   ALA  13          2HB       ALA  13  -5.208  -0.263  18.288
  300   3HB   ALA  13          3HB       ALA  13  -6.490  -1.367  17.720
  301    H    LYS  14           H        LYS  14  -5.256   2.467  17.245
  302    HA   LYS  14           HA       LYS  14  -5.278   4.180  19.564
  303   1HB   LYS  14          2HB       LYS  14  -4.476   4.756  16.676
  304   2HB   LYS  14          1HB       LYS  14  -4.176   5.837  18.026
  305   1HG   LYS  14          2HG       LYS  14  -2.997   3.034  17.736
  306   2HG   LYS  14          1HG       LYS  14  -2.199   4.555  17.337
  307   1HD   LYS  14          2HD       LYS  14  -2.597   5.248  19.792
  308   2HD   LYS  14          1HD       LYS  14  -2.987   3.538  20.082
  309   1HE   LYS  14          2HE       LYS  14  -0.753   2.892  19.187
  310   2HE   LYS  14          1HE       LYS  14  -0.400   4.591  18.853
  311   1HZ   LYS  14          1HZ       LYS  14   0.617   4.017  20.920
  312   2HZ   LYS  14          2HZ       LYS  14  -0.730   3.367  21.545
  313   3HZ   LYS  14          3HZ       LYS  14  -0.640   4.981  21.313
  314    H    SER  15           H        SER  15  -6.808   4.717  16.351
  315    HA   SER  15           HA       SER  15  -8.275   7.048  17.105
  316   1HB   SER  15          2HB       SER  15  -7.833   6.291  14.746
  317   2HB   SER  15          1HB       SER  15  -9.032   5.010  14.975
  318    HG   SER  15           HG       SER  15  -9.433   7.840  15.111
  319    H    ARG  16           H        ARG  16  -9.275   3.626  17.071
  320    HA   ARG  16           HA       ARG  16 -11.954   3.943  17.994
  321   1HB   ARG  16          2HB       ARG  16 -11.008   1.961  16.903
  322   2HB   ARG  16          1HB       ARG  16 -10.014   1.618  18.323
  323   1HG   ARG  16          2HG       ARG  16 -11.894   1.000  19.633
  324   2HG   ARG  16          1HG       ARG  16 -13.035   1.788  18.534
  325   1HD   ARG  16          2HD       ARG  16 -13.096  -0.687  18.318
  326   2HD   ARG  16          1HD       ARG  16 -12.699   0.142  16.820
  327    HE   ARG  16           HE       ARG  16 -10.633  -0.898  16.768
  328   1HH1  ARG  16          1HH1      ARG  16 -11.833  -1.395  20.064
  329   2HH1  ARG  16          2HH1      ARG  16 -10.549  -2.581  20.335
  330   1HH2  ARG  16          1HH2      ARG  16  -9.129  -2.482  17.311
  331   2HH2  ARG  16          2HH2      ARG  16  -9.196  -3.061  18.992
  332    H    TYR  17           H        TYR  17  -8.986   3.420  19.933
  333    HA   TYR  17           HA       TYR  17 -10.228   3.680  22.517
  334   1HB   TYR  17          2HB       TYR  17  -8.024   2.754  22.324
  335   2HB   TYR  17          1HB       TYR  17  -7.409   4.190  21.520
  336    HD1  TYR  17           HD1      TYR  17  -6.648   6.105  22.736
  337    HD2  TYR  17           HD2      TYR  17  -8.658   2.881  24.789
  338    HE1  TYR  17           HE1      TYR  17  -5.984   7.078  24.926
  339    HE2  TYR  17           HE2      TYR  17  -7.985   3.855  26.974
  340    HH   TYR  17           HH       TYR  17  -6.799   5.521  28.045
  341    H    LYS  18           H        LYS  18  -8.650   6.162  20.424
  342    HA   LYS  18           HA       LYS  18  -9.074   8.375  22.134
  343   1HB   LYS  18          2HB       LYS  18  -7.585   8.358  20.177
  344   2HB   LYS  18          1HB       LYS  18  -8.981   8.375  19.090
  345   1HG   LYS  18          2HG       LYS  18  -9.692  10.554  19.940
  346   2HG   LYS  18          1HG       LYS  18  -8.427  10.541  21.176
  347   1HD   LYS  18          2HD       LYS  18  -7.900  10.527  18.167
  348   2HD   LYS  18          1HD       LYS  18  -7.955  11.987  19.173
  349   1HE   LYS  18          2HE       LYS  18  -6.126  11.097  20.595
  350   2HE   LYS  18          1HE       LYS  18  -6.041   9.649  19.589
  351   1HZ   LYS  18          1HZ       LYS  18  -4.381  11.233  18.966
  352   2HZ   LYS  18          2HZ       LYS  18  -5.481  12.411  18.664
  353   3HZ   LYS  18          3HZ       LYS  18  -5.425  11.073  17.708
  354    H    ALA  19           H        ALA  19 -11.344   7.043  19.719
  355    HA   ALA  19           HA       ALA  19 -13.423   8.955  20.067
  356   1HB   ALA  19          1HB       ALA  19 -13.647   5.970  19.479
  357   2HB   ALA  19          2HB       ALA  19 -13.391   7.258  18.281
  358   3HB   ALA  19          3HB       ALA  19 -14.904   7.192  19.206
  359    H    ARG  20           H        ARG  20 -12.954   5.864  21.830
  360    HA   ARG  20           HA       ARG  20 -15.046   6.153  23.756
  361   1HB   ARG  20          2HB       ARG  20 -13.807   4.057  23.274
  362   2HB   ARG  20          1HB       ARG  20 -12.362   4.727  24.036
  363   1HG   ARG  20          2HG       ARG  20 -13.559   4.880  26.203
  364   2HG   ARG  20          1HG       ARG  20 -15.022   4.228  25.438
  365   1HD   ARG  20          2HD       ARG  20 -13.832   2.144  24.895
  366   2HD   ARG  20          1HD       ARG  20 -12.333   2.782  25.566
  367    HE   ARG  20           HE       ARG  20 -14.666   1.748  27.036
  368   1HH1  ARG  20          1HH1      ARG  20 -11.702   3.582  27.437
  369   2HH1  ARG  20          2HH1      ARG  20 -11.664   3.287  29.154
  370   1HH2  ARG  20          1HH2      ARG  20 -14.547   1.418  29.204
  371   2HH2  ARG  20          2HH2      ARG  20 -13.228   2.096  30.118
  372    H    ARG  21           H        ARG  21 -11.679   7.206  23.941
  373    HA   ARG  21           HA       ARG  21 -11.658   8.411  26.527
  374   1HB   ARG  21          2HB       ARG  21  -9.725   7.961  24.806
  375   2HB   ARG  21          1HB       ARG  21 -10.132   9.481  24.104
  376   1HG   ARG  21          2HG       ARG  21  -8.372   9.980  25.551
  377   2HG   ARG  21          1HG       ARG  21  -9.824  10.586  26.350
  378   1HD   ARG  21          2HD       ARG  21  -9.799   8.366  27.688
  379   2HD   ARG  21          1HD       ARG  21  -8.169   8.122  27.029
  380    HE   ARG  21           HE       ARG  21  -8.556  10.763  28.227
  381   1HH1  ARG  21          1HH1      ARG  21  -7.541   7.466  29.101
  382   2HH1  ARG  21          2HH1      ARG  21  -6.853   8.121  30.594
  383   1HH2  ARG  21          1HH2      ARG  21  -7.691  11.328  30.197
  384   2HH2  ARG  21          2HH2      ARG  21  -6.858  10.046  31.090
  385    H    ALA  22           H        ALA  22 -11.888  10.039  23.490
  386    HA   ALA  22           HA       ALA  22 -12.455  12.633  24.312
  387   1HB   ALA  22          1HB       ALA  22 -13.423  11.310  21.746
  388   2HB   ALA  22          2HB       ALA  22 -11.824  12.042  22.023
  389   3HB   ALA  22          3HB       ALA  22 -13.276  13.058  22.026
  390    H    GLU  23           H        GLU  23 -14.976  10.141  23.705
  391    HA   GLU  23           HA       GLU  23 -17.219  11.882  24.074
  392   1HB   GLU  23          2HB       GLU  23 -16.884   8.890  24.451
  393   2HB   GLU  23          1HB       GLU  23 -18.436   9.703  24.647
  394   1HG   GLU  23          2HG       GLU  23 -16.789   9.827  22.085
  395   2HG   GLU  23          1HG       GLU  23 -18.066   8.659  22.390
  396    H    LEU  24           H        LEU  24 -15.128  10.452  26.548
  397    HA   LEU  24           HA       LEU  24 -16.957  10.921  28.748
  398   1HB   LEU  24          2HB       LEU  24 -15.037   9.347  28.838
  399   2HB   LEU  24          1HB       LEU  24 -13.922  10.708  28.712
  400    HG   LEU  24           HG       LEU  24 -14.710  11.591  30.887
  401   1HD1  LEU  24          1HD1      LEU  24 -16.402   9.050  30.972
  402   2HD1  LEU  24          2HD1      LEU  24 -17.007  10.725  30.974
  403   3HD1  LEU  24          3HD1      LEU  24 -16.088  10.122  32.356
  404   1HD2  LEU  24          1HD2      LEU  24 -12.789  10.054  30.771
  405   2HD2  LEU  24          2HD2      LEU  24 -13.880   8.664  30.966
  406   3HD2  LEU  24          3HD2      LEU  24 -13.694   9.848  32.279
  407    H    ILE  25           H        ILE  25 -14.615  12.942  27.051
  408    HA   ILE  25           HA       ILE  25 -14.736  15.192  28.914
  409    HB   ILE  25           HB       ILE  25 -13.646  14.918  26.082
  410   1HG1  ILE  25          2HG1      ILE  25 -11.468  15.404  27.326
  411   2HG1  ILE  25          1HG1      ILE  25 -12.332  15.131  28.834
  412   1HG2  ILE  25          1HG2      ILE  25 -12.566  17.133  26.435
  413   2HG2  ILE  25          2HG2      ILE  25 -13.526  17.347  27.916
  414   3HG2  ILE  25          3HG2      ILE  25 -14.311  17.250  26.320
  415   1HD1  ILE  25          1HD1      ILE  25 -10.937  13.211  27.977
  416   2HD1  ILE  25          2HD1      ILE  25 -12.035  13.078  26.595
  417   3HD1  ILE  25          3HD1      ILE  25 -12.619  12.773  28.255
  418    H    ALA  26           H        ALA  26 -16.733  14.097  26.266
  419    HA   ALA  26           HA       ALA  26 -18.311  16.580  26.130
  420   1HB   ALA  26          1HB       ALA  26 -19.744  15.296  24.621
  421   2HB   ALA  26          2HB       ALA  26 -18.868  13.803  25.001
  422   3HB   ALA  26          3HB       ALA  26 -18.042  15.127  24.150
  423    H    GLU  27           H        GLU  27 -18.809  13.275  27.476
  424    HA   GLU  27           HA       GLU  27 -21.386  13.864  28.635
  425   1HB   GLU  27          2HB       GLU  27 -19.392  11.608  29.056
  426   2HB   GLU  27          1HB       GLU  27 -20.959  11.688  29.878
  427   1HG   GLU  27          2HG       GLU  27 -22.141  11.750  27.725
  428   2HG   GLU  27          1HG       GLU  27 -20.610  11.699  26.851
  429    H    ARG  28           H        ARG  28 -18.148  14.122  29.970
  430    HA   ARG  28           HA       ARG  28 -17.292  14.772  31.992
  431   1HB   ARG  28          2HB       ARG  28 -19.583  16.766  31.821
  432   2HB   ARG  28          1HB       ARG  28 -18.100  16.943  32.779
  433   1HG   ARG  28          2HG       ARG  28 -16.748  16.800  30.684
  434   2HG   ARG  28          1HG       ARG  28 -18.250  16.711  29.747
  435   1HD   ARG  28          2HD       ARG  28 -18.921  18.932  30.622
  436   2HD   ARG  28          1HD       ARG  28 -17.358  19.045  31.467
  437    HE   ARG  28           HE       ARG  28 -16.875  18.394  28.736
  438   1HH1  ARG  28          1HH2      ARG  28 -18.011  21.195  30.507
  439   2HH1  ARG  28          2HH2      ARG  28 -17.463  22.305  29.274
  440   1HH2  ARG  28          1HH1      ARG  28 -16.202  19.829  27.233
  441   2HH2  ARG  28          2HH1      ARG  28 -16.458  21.540  27.459
  442    H    ARG  29           H        ARG  29 -18.402  12.572  32.465
  443    HA   ARG  29           HA       ARG  29 -20.401  12.254  34.480
  444   1HB   ARG  29          2HB       ARG  29 -17.971  10.501  33.922
  445   2HB   ARG  29          1HB       ARG  29 -19.372  10.048  34.892
  446   1HG   ARG  29          2HG       ARG  29 -20.839  10.332  32.874
  447   2HG   ARG  29          1HG       ARG  29 -19.389  10.663  31.902
  448   1HD   ARG  29          2HD       ARG  29 -18.467   8.438  32.572
  449   2HD   ARG  29          1HD       ARG  29 -19.963   8.119  33.472
  450    HE   ARG  29           HE       ARG  29 -20.380   8.785  30.627
  451   1HH1  ARG  29          1HH1      ARG  29 -19.840   6.051  32.769
  452   2HH1  ARG  29          2HH1      ARG  29 -20.515   4.949  31.593
  453   1HH2  ARG  29          1HH2      ARG  29 -21.125   7.459  29.307
  454   2HH2  ARG  29          2HH2      ARG  29 -21.254   5.718  29.615
  Start of MODEL    6
    1   1H5*    G   1          2H5*        G   1  14.156 -11.860  -1.209
    2   2H5*    G   1          1H5*        G   1  15.285 -11.201  -2.392
    3    H4*    G   1           H4*        G   1  16.624 -10.163  -0.590
    4    H3*    G   1           H3*        G   1  14.204  -9.299  -1.463
    5    H2*    G   1          1H2*        G   1  12.757 -10.052   0.037
    6   2HO*    G   1          2HO*        G   1  12.994  -7.816   0.787
    7    H1*    G   1           H1*        G   1  14.435 -10.202   2.450
    8    H8     G   1           H8         G   1  14.747 -12.690   3.414
    9    H1     G   1           H1         G   1   8.915 -13.800   0.870
   10   1H2     G   1          1H2         G   1   8.643 -12.437  -0.889
   11   2H2     G   1          2H2         G   1   9.966 -11.375  -1.372
   12   1H5*    G   2          2H5*        G   2  12.709  -8.032  -2.409
   13   2H5*    G   2          1H5*        G   2  12.203  -6.360  -2.643
   14    H4*    G   2           H4*        G   2  10.332  -7.999  -2.342
   15    H3*    G   2           H3*        G   2  10.558  -5.787  -0.296
   16    H2*    G   2          1H2*        G   2   8.457  -6.639   0.613
   17   2HO*    G   2          2HO*        G   2   7.580  -8.594  -0.408
   18    H1*    G   2           H1*        G   2  10.461  -7.577   1.248
   19    H8     G   2           H8         G   2  11.353  -9.696   2.377
   20    H1     G   2           H1         G   2   5.233 -11.701   2.655
   21   1H2     G   2          1H2         G   2   4.113 -10.822   0.953
   22   2H2     G   2          2H2         G   2   4.931  -9.744  -0.183
   23   1H5*    U   3          1H5*        U   3   6.839  -2.777   0.114
   24   2H5*    U   3          2H5*        U   3   7.186  -3.651   1.599
   25    H4*    U   3           H4*        U   3   5.445  -4.550  -0.720
   26    H3*    U   3           H3*        U   3   5.158  -4.177   2.275
   27    H2*    U   3          1H2*        U   3   3.338  -5.752   2.250
   28   2HO*    U   3          2HO*        U   3   2.742  -5.014  -0.079
   29    H1*    U   3           H1*        U   3   4.746  -7.586   0.830
   30    H3     U   3           H3         U   3   4.900  -8.989   5.202
   31    H5     U   3           H5         U   3   8.329  -6.681   4.630
   32    H6     U   3           H6         U   3   7.433  -5.908   2.506
   33   1H5*    U   4          1H5*        U   4   1.179  -4.203   0.973
   34   2H5*    U   4          2H5*        U   4   0.295  -2.866   1.713
   35    H4*    U   4           H4*        U   4  -0.849  -4.988   2.050
   36    H3*    U   4           H3*        U   4   0.328  -3.872   4.612
   37    H2*    U   4          1H2*        U   4  -1.151  -5.492   5.679
   38   2HO*    U   4          2HO*        U   4  -2.863  -5.270   3.949
   39    H1*    U   4           H1*        U   4  -0.326  -7.488   4.001
   40    H3     U   4           H3         U   4   1.399  -8.106   8.226
   41    H5     U   4           H5         U   4   4.081  -5.494   6.367
   42    H6     U   4           H6         U   4   2.539  -5.296   4.476
   43   1H5*    C   5          1H5*        C   5  -3.983  -4.126   5.069
   44   2H5*    C   5          2H5*        C   5  -4.545  -2.867   6.174
   45    H4*    C   5           H4*        C   5  -5.228  -5.199   6.780
   46    H3*    C   5           H3*        C   5  -3.556  -3.673   8.780
   47    H2*    C   5          1H2*        C   5  -4.225  -5.436  10.320
   48   2HO*    C   5          2HO*        C   5  -5.693  -7.009   9.819
   49    H1*    C   5           H1*        C   5  -3.487  -7.398   8.570
   50   1H4     C   5          1H4         C   5   1.936  -4.543  11.114
   51   2H4     C   5          2H4         C   5   1.313  -5.696  12.305
   52    H5     C   5           H5         C   5   0.688  -4.072   9.039
   53    H6     C   5           H6         C   5  -1.298  -4.623   7.795
   54   1H5*    A   6          1H5*        A   6  -7.305  -4.882  10.338
   55   2H5*    A   6          2H5*        A   6  -8.025  -3.791  11.521
   56    H4*    A   6           H4*        A   6  -7.832  -6.177  12.258
   57    H3*    A   6           H3*        A   6  -6.356  -4.100  13.883
   58    H2*    A   6          1H2*        A   6  -6.084  -5.895  15.525
   59   2HO*    A   6          2HO*        A   6  -8.230  -6.944  14.756
   60    H1*    A   6           H1*        A   6  -5.053  -7.576  13.672
   61    H8     A   6           H8         A   6  -3.854  -4.400  12.190
   62   1H6     A   6          1H6         A   6   0.216  -4.189  16.957
   63   2H6     A   6          2H6         A   6  -0.153  -3.476  15.386
   64    H2     A   6           H2         A   6  -2.771  -7.181  17.897
   65   1H5*    C   7          1H5*        C   7  -8.701  -6.337  16.585
   66   2H5*    C   7          2H5*        C   7  -9.771  -5.273  17.505
   67    H4*    C   7           H4*        C   7  -8.579  -6.920  18.943
   68    H3*    C   7           H3*        C   7  -8.065  -3.978  19.321
   69    H2*    C   7          1H2*        C   7  -6.707  -4.481  21.207
   70   2HO*    C   7          2HO*        C   7  -8.040  -6.183  22.078
   71    H1*    C   7           H1*        C   7  -5.393  -6.591  20.052
   72   1H4     C   7          1H4         C   7  -2.131  -1.539  17.502
   73   2H4     C   7          2H4         C   7  -1.508  -1.797  19.135
   74    H5     C   7           H5         C   7  -4.069  -2.739  16.676
   75    H6     C   7           H6         C   7  -5.715  -4.433  17.232
   76   1H5*    C   8          1H5*        C   8  -9.719  -2.952  24.160
   77   2H5*    C   8          2H5*        C   8  -8.574  -2.142  23.071
   78    H4*    C   8           H4*        C   8  -7.847  -4.430  24.962
   79    H3*    C   8           H3*        C   8  -7.667  -1.425  25.208
   80    H2*    C   8          1H2*        C   8  -5.548  -1.617  26.260
   81   2HO*    C   8          2HO*        C   8  -6.251  -3.509  27.586
   82    H1*    C   8           H1*        C   8  -4.594  -3.697  24.712
   83   1H4     C   8          1H4         C   8  -2.723   0.607  20.481
   84   2H4     C   8          2H4         C   8  -1.470   0.559  21.737
   85    H5     C   8           H5         C   8  -4.938  -0.209  20.855
   86    H6     C   8           H6         C   8  -6.271  -1.636  22.311
   87   1H5*    U   9          1H5*        U   9  -7.696   0.981  28.908
   88   2H5*    U   9          2H5*        U   9  -7.275   0.845  27.189
   89    H4*    U   9           H4*        U   9  -5.282   0.209  29.399
   90    H3*    U   9           H3*        U   9  -5.903   2.857  28.079
   91    H2*    U   9          1H2*        U   9  -3.580   3.374  28.086
   92   2HO*    U   9          2HO*        U   9  -3.106   2.554  30.222
   93    H1*    U   9           H1*        U   9  -2.735   0.840  27.370
   94    H3     U   9           H3         U   9  -1.753   3.641  23.878
   95    H5     U   9           H5         U   9  -5.613   2.268  23.142
   96    H6     U   9           H6         U   9  -5.714   1.365  25.406
   97   1H5*    C  10          1H5*        C  10  -4.403   6.532  31.280
   98   2H5*    C  10          2H5*        C  10  -4.503   6.450  29.517
   99    H4*    C  10           H4*        C  10  -1.980   6.370  31.209
  100    H3*    C  10           H3*        C  10  -3.432   8.391  29.509
  101    H2*    C  10          1H2*        C  10  -1.491   9.182  28.500
  102   2HO*    C  10          2HO*        C  10  -0.308   8.984  30.670
  103    H1*    C  10           H1*        C  10  -0.217   6.793  28.178
  104   1H4     C  10          1H4         C  10  -3.784   5.920  22.921
  105   2H4     C  10          2H4         C  10  -2.511   7.075  22.535
  106    H5     C  10           H5         C  10  -4.339   5.455  25.268
  107    H6     C  10           H6         C  10  -3.575   5.739  27.557
  108   1H5*    U  11          1H5*        U  11  -2.001  11.731  30.909
  109   2H5*    U  11          2H5*        U  11  -3.346  12.575  31.697
  110    H4*    U  11           H4*        U  11  -2.880  13.826  29.746
  111    H3*    U  11           H3*        U  11  -5.191  11.964  29.119
  112    H2*    U  11          1H2*        U  11  -5.387  13.084  27.082
  113   2HO*    U  11          2HO*        U  11  -5.142  15.229  28.213
  114    H1*    U  11           H1*        U  11  -2.586  13.645  26.939
  115    H3     U  11           H3         U  11  -2.625  11.516  22.995
  116    H5     U  11           H5         U  11  -4.867   8.930  25.417
  117    H6     U  11           H6         U  11  -4.393  10.373  27.349
  118   1H5*    A  12          1H5*        A  12  -9.352  15.413  29.035
  119   2H5*    A  12          2H5*        A  12  -9.135  13.955  28.052
  120    H4*    A  12           H4*        A  12  -9.885  15.756  26.635
  121    H3*    A  12           H3*        A  12  -7.018  14.898  26.244
  122    H2*    A  12          1H2*        A  12  -6.847  16.438  24.441
  123   2HO*    A  12          2HO*        A  12  -9.047  15.915  23.613
  124    H1*    A  12           H1*        A  12  -8.231  18.490  25.626
  125    H8     A  12           H8         A  12  -6.287  17.284  28.520
  126   1H6     A  12          1H6         A  12  -2.146  19.925  27.559
  127   2H6     A  12          2H6         A  12  -1.677  20.778  26.083
  128    H2     A  12           H2         A  12  -4.652  20.260  23.037
  129   1H5*    A  13          1H5*        A  13  -5.456  12.749  22.612
  130   2H5*    A  13          2H5*        A  13  -5.047  13.622  24.105
  131    H4*    A  13           H4*        A  13  -5.558  15.063  21.475
  132    H3*    A  13           H3*        A  13  -3.000  13.950  22.641
  133    H2*    A  13          1H2*        A  13  -1.852  15.771  21.612
  134   2HO*    A  13          2HO*        A  13  -3.084  15.794  19.611
  135    H1*    A  13           H1*        A  13  -3.721  17.633  22.367
  136    H8     A  13           H8         A  13  -3.489  15.455  25.373
  137   1H6     A  13          1H6         A  13   0.512  17.691  27.382
  138   2H6     A  13          2H6         A  13   1.641  18.838  26.648
  139    H2     A  13           H2         A  13   0.581  19.570  22.550
  140   1H5*    C  14          1H5*        C  14   0.357  13.076  18.935
  141   2H5*    C  14          2H5*        C  14   0.403  13.325  20.688
  142    H4*    C  14           H4*        C  14   0.532  15.525  18.564
  143    H3*    C  14           H3*        C  14   2.529  14.228  20.424
  144    H2*    C  14          1H2*        C  14   3.665  16.250  20.741
  145   2HO*    C  14          2HO*        C  14   3.230  16.988  18.451
  146    H1*    C  14           H1*        C  14   1.424  17.696  21.247
  147   1H4     C  14          1H4         C  14   1.828  14.215  26.780
  148   2H4     C  14          2H4         C  14   3.156  15.376  26.831
  149    H5     C  14           H5         C  14   0.433  13.974  24.796
  150    H6     C  14           H6         C  14   0.130  14.686  22.516
  151   1H5*    C  15          1H5*        C  15   5.279  14.970  19.773
  152   2H5*    C  15          2H5*        C  15   6.495  13.735  19.417
  153    H4*    C  15           H4*        C  15   6.611  14.483  21.768
  154    H3*    C  15           H3*        C  15   5.612  11.647  21.397
  155    H2*    C  15          1H2*        C  15   5.828  11.431  23.786
  156   2HO*    C  15          2HO*        C  15   7.823  12.750  23.930
  157    H1*    C  15           H1*        C  15   4.648  13.847  24.309
  158   1H4     C  15          1H4         C  15  -0.202   9.602  22.947
  159   2H4     C  15          2H4         C  15   0.143   9.441  24.665
  160    H5     C  15           H5         C  15   1.176  10.902  21.468
  161    H6     C  15           H6         C  15   3.112  12.355  21.343
  162   1H5*    G  16          1H5*        G  16   7.968   7.936  22.835
  163   2H5*    G  16          2H5*        G  16   6.403   8.439  22.167
  164    H4*    G  16           H4*        G  16   7.026   8.970  25.080
  165    H3*    G  16           H3*        G  16   6.138   6.361  23.859
  166    H2*    G  16          1H2*        G  16   4.942   5.983  25.918
  167   2HO*    G  16          2HO*        G  16   6.586   6.932  27.332
  168    H1*    G  16           H1*        G  16   3.896   8.538  25.995
  169    H8     G  16           H8         G  16   3.611   7.994  22.398
  170    H1     G  16           H1         G  16  -0.293   4.031  25.678
  171   1H2     G  16          1H2         G  16   1.624   5.035  28.336
  172   2H2     G  16          2H2         G  16   0.261   4.057  27.801
  173   1H5*    G  17          1H5*        G  17   7.812   2.526  26.698
  174   2H5*    G  17          2H5*        G  17   6.499   2.734  25.525
  175    H4*    G  17           H4*        G  17   6.242   3.151  28.539
  176    H3*    G  17           H3*        G  17   5.763   0.865  26.645
  177    H2*    G  17          1H2*        G  17   3.698   0.290  27.617
  178   2HO*    G  17          2HO*        G  17   4.550   0.723  29.865
  179    H1*    G  17           H1*        G  17   2.736   2.816  27.930
  180    H8     G  17           H8         G  17   4.312   3.559  24.758
  181    H1     G  17           H1         G  17  -0.995  -0.077  24.142
  182   1H2     G  17          1H2         G  17  -1.406  -1.095  26.062
  183   2H2     G  17          2H2         G  17  -0.374  -0.776  27.462
  184   1H5*    G  18          1H5*        G  18   6.287  -3.460  27.384
  185   2H5*    G  18          2H5*        G  18   5.919  -2.233  26.153
  186    H4*    G  18           H4*        G  18   3.800  -3.337  28.037
  187    H3*    G  18           H3*        G  18   4.653  -4.274  25.282
  188    H2*    G  18          1H2*        G  18   2.384  -4.982  24.985
  189   2HO*    G  18          2HO*        G  18   2.122  -5.885  27.144
  190    H1*    G  18           H1*        G  18   1.335  -2.753  26.305
  191    H8     G  18           H8         G  18   3.813  -1.361  23.896
  192    H1     G  18           H1         G  18  -1.779  -3.179  21.224
  193   1H2     G  18          1H2         G  18  -2.818  -4.566  22.630
  194   2H2     G  18          2H2         G  18  -2.117  -4.857  24.233
  195   1H5*    U  19          1H5*        U  19   3.953  -8.674  24.135
  196   2H5*    U  19          2H5*        U  19   3.584  -7.013  23.652
  197    H4*    U  19           H4*        U  19   1.526  -8.876  24.883
  198    H3*    U  19           H3*        U  19   1.880 -10.100  23.039
  199    H2*    U  19          1H2*        U  19   0.121  -8.936  21.341
  200   2HO*    U  19          2HO*        U  19  -0.609  -9.476  24.072
  201    H1*    U  19           H1*        U  19  -0.973  -7.170  23.106
  202    H3     U  19           H3         U  19  -0.559  -5.648  18.674
  203    H5     U  19           H5         U  19   2.927  -4.477  20.701
  204    H6     U  19           H6         U  19   2.237  -5.724  22.591
  205   1H5*    G  20          1H5*        G  20   1.174 -11.338  21.506
  206   2H5*    G  20          2H5*        G  20   2.103 -12.508  20.567
  207    H4*    G  20           H4*        G  20  -0.331 -12.528  20.061
  208    H3*    G  20           H3*        G  20   1.504 -11.654  17.826
  209    H2*    G  20          1H2*        G  20  -0.445 -11.726  16.397
  210   2HO*    G  20          2HO*        G  20  -2.461 -12.439  17.108
  211    H1*    G  20           H1*        G  20  -1.944 -10.215  18.082
  212    H8     G  20           H8         G  20   1.355  -8.723  18.831
  213    H1     G  20           H1         G  20  -0.681  -7.344  12.862
  214   1H2     G  20          1H2         G  20  -2.512  -8.534  12.441
  215   2H2     G  20          2H2         G  20  -3.134  -9.647  13.669
  216   1H5*    A  21          1H5*        A  21  -0.974 -14.687  16.427
  217   2H5*    A  21          2H5*        A  21  -0.173 -15.892  15.415
  218    H4*    A  21           H4*        A  21  -2.173 -14.860  14.344
  219    H3*    A  21           H3*        A  21   0.502 -14.403  13.013
  220    H2*    A  21          1H2*        A  21  -0.736 -13.458  11.172
  221   2HO*    A  21          2HO*        A  21  -2.557 -14.867  11.181
  222    H1*    A  21           H1*        A  21  -2.270 -11.874  12.758
  223    H8     A  21           H8         A  21   0.994 -11.882  14.598
  224   1H6     A  21          1H6         A  21   2.954  -7.969  10.095
  225   2H6     A  21          2H6         A  21   3.383  -8.624  11.678
  226    H2     A  21           H2         A  21  -0.892  -9.563   8.900
  227   1H5*    G  22          1H5*        G  22  -0.889 -17.059   8.379
  228   2H5*    G  22          2H5*        G  22   0.208 -15.684   8.603
  229    H4*    G  22           H4*        G  22  -2.807 -15.435   8.195
  230    H3*    G  22           H3*        G  22  -0.451 -15.374   6.318
  231    H2*    G  22          1H2*        G  22  -1.353 -13.541   5.115
  232   2HO*    G  22          2HO*        G  22  -3.648 -14.474   5.501
  233    H1*    G  22           H1*        G  22  -2.068 -12.057   7.278
  234    H8     G  22           H8         G  22   0.821 -13.343   8.964
  235    H1     G  22           H1         G  22   2.590  -9.536   4.063
  236   1H2     G  22          1H2         G  22   0.883  -9.352   2.639
  237   2H2     G  22          2H2         G  22  -0.656 -10.119   3.023
  238   1H5*    C  23          1H5*        C  23  -2.886 -15.150   3.360
  239   2H5*    C  23          2H5*        C  23  -2.636 -16.425   2.157
  240    H4*    C  23           H4*        C  23  -2.203 -14.250   1.165
  241    H3*    C  23           H3*        C  23   0.320 -15.864   1.628
  242    H2*    C  23          1H2*        C  23   1.448 -14.162   0.329
  243   2HO*    C  23          2HO*        C  23  -0.622 -13.829  -1.037
  244    H1*    C  23           H1*        C  23   0.287 -12.103   1.687
  245   1H4     C  23          1H4         C  23   4.866 -14.373   5.836
  246   2H4     C  23          2H4         C  23   5.641 -13.230   4.730
  247    H5     C  23           H5         C  23   2.558 -15.074   5.514
  248    H6     C  23           H6         C  23   0.592 -14.796   4.111
  249   1H5*    C  24          1H5*        C  24   0.526 -14.763  -2.433
  250   2H5*    C  24          2H5*        C  24   1.063 -16.129  -3.417
  251    H4*    C  24           H4*        C  24   2.494 -14.160  -3.744
  252    H3*    C  24           H3*        C  24   3.853 -16.470  -2.315
  253    H2*    C  24          1H2*        C  24   5.886 -15.262  -2.629
  254   2HO*    C  24          2HO*        C  24   5.277 -14.507  -4.840
  255    H1*    C  24           H1*        C  24   4.754 -12.802  -1.984
  256   1H4     C  24          1H4         C  24   6.636 -16.152   3.421
  257   2H4     C  24          2H4         C  24   7.983 -15.144   2.879
  258    H5     C  24           H5         C  24   4.558 -16.282   2.149
  259    H6     C  24           H6         C  24   3.430 -15.516   0.117
  260   1H    GLU   8          1H        GLU   8 -13.316  12.306  11.175
  261   2H    GLU   8          2H        GLU   8 -14.612  11.953  10.236
  262   3H    GLU   8          3H        GLU   8 -13.104  12.012   9.585
  263    HA   GLU   8           HA       GLU   8 -13.999  10.072  11.607
  264   1HB   GLU   8          2HB       GLU   8 -13.914   8.354   9.890
  265   2HB   GLU   8          1HB       GLU   8 -15.091   9.602   9.491
  266   1HG   GLU   8          2HG       GLU   8 -13.462  10.602   7.877
  267   2HG   GLU   8          1HG       GLU   8 -12.301   9.334   8.280
  268    H    SER   9           H        SER   9 -12.503   8.113  11.595
  269    HA   SER   9           HA       SER   9  -9.655   8.738  11.109
  270   1HB   SER   9          2HB       SER   9 -10.217   9.321  13.499
  271   2HB   SER   9          1HB       SER   9 -10.592   7.609  13.769
  272    HG   SER   9           HG       SER   9  -8.390   8.274  14.282
  273    H    LYS  10           H        LYS  10  -8.494   6.602  11.930
  274    HA   LYS  10           HA       LYS  10  -8.837   4.768   9.763
  275   1HB   LYS  10          2HB       LYS  10  -7.283   4.233  12.314
  276   2HB   LYS  10          1HB       LYS  10  -6.999   3.519  10.732
  277   1HG   LYS  10          2HG       LYS  10  -6.282   5.676   9.822
  278   2HG   LYS  10          1HG       LYS  10  -6.628   6.492  11.345
  279   1HD   LYS  10          2HD       LYS  10  -4.514   4.361  10.883
  280   2HD   LYS  10          1HD       LYS  10  -4.242   6.082  11.124
  281   1HE   LYS  10          2HE       LYS  10  -5.256   4.068  13.172
  282   2HE   LYS  10          1HE       LYS  10  -3.695   4.890  13.152
  283   1HZ   LYS  10          1HZ       LYS  10  -6.344   6.104  13.713
  284   2HZ   LYS  10          2HZ       LYS  10  -5.002   7.019  13.421
  285   3HZ   LYS  10          3HZ       LYS  10  -5.070   6.012  14.706
  286    H    GLY  11           H        GLY  11 -10.118   4.602  12.980
  287   1HA   GLY  11          2HA       GLY  11 -11.808   3.218  13.851
  288   2HA   GLY  11          1HA       GLY  11 -11.797   2.267  12.370
  289    H    THR  12           H        THR  12  -8.655   2.548  13.648
  290    HA   THR  12           HA       THR  12  -8.403  -0.238  14.383
  291    HB   THR  12           HB       THR  12  -6.108   0.446  15.078
  292    HG1  THR  12           HG1      THR  12  -5.507   2.571  14.873
  293   1HG2  THR  12          1HG2      THR  12  -5.263   1.210  12.927
  294   2HG2  THR  12          2HG2      THR  12  -6.892   1.688  12.412
  295   3HG2  THR  12          3HG2      THR  12  -6.512  -0.024  12.687
  296    H    ALA  13           H        ALA  13  -7.441  -0.925  16.477
  297    HA   ALA  13           HA       ALA  13  -8.850  -0.356  18.798
  298   1HB   ALA  13          1HB       ALA  13  -5.912  -1.158  18.644
  299   2HB   ALA  13          2HB       ALA  13  -7.273  -2.252  18.350
  300   3HB   ALA  13          3HB       ALA  13  -7.063  -1.520  19.953
  301    H    LYS  14           H        LYS  14  -5.881   1.323  17.723
  302    HA   LYS  14           HA       LYS  14  -5.674   3.124  19.999
  303   1HB   LYS  14          2HB       LYS  14  -4.598   3.330  17.144
  304   2HB   LYS  14          1HB       LYS  14  -4.327   4.543  18.404
  305   1HG   LYS  14          2HG       LYS  14  -3.455   2.632  19.867
  306   2HG   LYS  14          1HG       LYS  14  -3.391   1.649  18.408
  307   1HD   LYS  14          2HD       LYS  14  -1.759   3.074  17.393
  308   2HD   LYS  14          1HD       LYS  14  -2.025   4.380  18.553
  309   1HE   LYS  14          2HE       LYS  14  -0.925   1.653  19.338
  310   2HE   LYS  14          1HE       LYS  14   0.101   3.016  18.888
  311   1HZ   LYS  14          1HZ       LYS  14  -1.877   3.206  21.100
  312   2HZ   LYS  14          2HZ       LYS  14  -0.675   4.255  20.757
  313   3HZ   LYS  14          3HZ       LYS  14  -0.316   2.771  21.337
  314    H    SER  15           H        SER  15  -7.154   3.552  16.789
  315    HA   SER  15           HA       SER  15  -8.124   6.211  17.156
  316   1HB   SER  15          2HB       SER  15  -9.491   4.034  15.531
  317   2HB   SER  15          1HB       SER  15  -9.633   5.785  15.326
  318    HG   SER  15           HG       SER  15  -7.375   4.117  14.851
  319    H    ARG  16           H        ARG  16  -9.708   3.117  17.730
  320    HA   ARG  16           HA       ARG  16 -12.212   3.861  18.825
  321   1HB   ARG  16          2HB       ARG  16 -11.552   1.646  18.011
  322   2HB   ARG  16          1HB       ARG  16 -10.388   1.470  19.319
  323   1HG   ARG  16          2HG       ARG  16 -12.272   1.501  20.975
  324   2HG   ARG  16          1HG       ARG  16 -13.415   1.565  19.619
  325   1HD   ARG  16          2HD       ARG  16 -11.353  -0.620  20.172
  326   2HD   ARG  16          1HD       ARG  16 -13.093  -0.755  20.447
  327    HE   ARG  16           HE       ARG  16 -13.291  -0.316  17.905
  328   1HH1  ARG  16          1HH1      ARG  16 -10.500  -2.210  19.127
  329   2HH1  ARG  16          2HH1      ARG  16 -10.277  -2.791  17.467
  330   1HH2  ARG  16          1HH2      ARG  16 -12.759  -1.199  15.952
  331   2HH2  ARG  16          2HH2      ARG  16 -11.396  -2.313  15.914
  332    H    TYR  17           H        TYR  17  -9.183   3.069  20.624
  333    HA   TYR  17           HA       TYR  17 -10.328   3.727  23.157
  334   1HB   TYR  17          2HB       TYR  17  -8.227   2.336  22.692
  335   2HB   TYR  17          1HB       TYR  17  -7.358   3.870  22.549
  336    HD1  TYR  17           HD1      TYR  17  -9.523   1.780  24.739
  337    HD2  TYR  17           HD2      TYR  17  -6.806   5.132  24.595
  338    HE1  TYR  17           HE1      TYR  17  -9.698   2.055  27.216
  339    HE2  TYR  17           HE2      TYR  17  -6.965   5.356  27.078
  340    HH   TYR  17           HH       TYR  17  -7.797   4.341  29.031
  341    H    LYS  18           H        LYS  18  -8.341   5.730  20.956
  342    HA   LYS  18           HA       LYS  18  -8.253   8.074  22.587
  343   1HB   LYS  18          2HB       LYS  18  -6.912   7.503  20.512
  344   2HB   LYS  18          1HB       LYS  18  -8.299   8.022  19.543
  345   1HG   LYS  18          2HG       LYS  18  -8.166  10.277  20.574
  346   2HG   LYS  18          1HG       LYS  18  -6.829   9.747  21.603
  347   1HD   LYS  18          2HD       LYS  18  -6.778   9.882  18.556
  348   2HD   LYS  18          1HD       LYS  18  -6.061  11.070  19.657
  349   1HE   LYS  18          2HE       LYS  18  -4.561   9.318  20.585
  350   2HE   LYS  18          1HE       LYS  18  -5.256   8.133  19.471
  351   1HZ   LYS  18          1HZ       LYS  18  -3.229   9.001  18.547
  352   2HZ   LYS  18          2HZ       LYS  18  -3.699  10.546  18.713
  353   3HZ   LYS  18          3HZ       LYS  18  -4.453   9.574  17.624
  354    H    ALA  19           H        ALA  19 -10.693   7.094  20.151
  355    HA   ALA  19           HA       ALA  19 -12.474   9.288  20.541
  356   1HB   ALA  19          1HB       ALA  19 -12.647   7.713  18.665
  357   2HB   ALA  19          2HB       ALA  19 -14.171   7.807  19.565
  358   3HB   ALA  19          3HB       ALA  19 -13.105   6.405  19.778
  359    H    ARG  20           H        ARG  20 -12.354   6.131  22.276
  360    HA   ARG  20           HA       ARG  20 -14.519   6.555  24.052
  361   1HB   ARG  20          2HB       ARG  20 -13.064   4.433  23.672
  362   2HB   ARG  20          1HB       ARG  20 -11.981   5.112  24.894
  363   1HG   ARG  20          2HG       ARG  20 -14.092   5.294  26.399
  364   2HG   ARG  20          1HG       ARG  20 -14.893   4.272  25.202
  365   1HD   ARG  20          2HD       ARG  20 -12.418   3.606  26.848
  366   2HD   ARG  20          1HD       ARG  20 -14.048   2.963  27.098
  367    HE   ARG  20           HE       ARG  20 -13.350   2.263  24.463
  368   1HH1  ARG  20          1HH1      ARG  20 -12.172   1.454  27.664
  369   2HH1  ARG  20          2HH1      ARG  20 -11.154   0.171  27.026
  370   1HH2  ARG  20          2HH2      ARG  20 -12.258   0.399  23.820
  371   2HH2  ARG  20          1HH2      ARG  20 -11.393  -0.512  25.037
  372    H    ARG  21           H        ARG  21 -11.120   7.456  24.535
  373    HA   ARG  21           HA       ARG  21 -11.435   8.851  27.055
  374   1HB   ARG  21          2HB       ARG  21  -9.383   9.194  24.828
  375   2HB   ARG  21          1HB       ARG  21  -9.284  10.014  26.375
  376   1HG   ARG  21          2HG       ARG  21  -9.291   6.982  26.030
  377   2HG   ARG  21          1HG       ARG  21  -7.842   7.966  26.168
  378   1HD   ARG  21          2HD       ARG  21  -9.989   7.715  28.317
  379   2HD   ARG  21          1HD       ARG  21  -8.479   6.819  28.274
  380    HE   ARG  21           HE       ARG  21  -8.570   9.821  28.459
  381   1HH1  ARG  21          1HH1      ARG  21  -7.020   6.803  29.737
  382   2HH1  ARG  21          2HH1      ARG  21  -6.095   7.865  30.791
  383   1HH2  ARG  21          1HH2      ARG  21  -7.210  10.838  29.898
  384   2HH2  ARG  21          2HH2      ARG  21  -6.111   9.805  30.815
  385    H    ALA  22           H        ALA  22 -11.405  10.177  23.722
  386    HA   ALA  22           HA       ALA  22 -11.840  12.860  24.387
  387   1HB   ALA  22          1HB       ALA  22 -11.131  12.040  22.167
  388   2HB   ALA  22          2HB       ALA  22 -12.534  13.116  22.042
  389   3HB   ALA  22          3HB       ALA  22 -12.749  11.360  21.892
  390    H    GLU  23           H        GLU  23 -14.370  10.415  23.639
  391    HA   GLU  23           HA       GLU  23 -16.578  12.204  23.660
  392   1HB   GLU  23          2HB       GLU  23 -16.346   9.211  24.106
  393   2HB   GLU  23          1HB       GLU  23 -17.905  10.027  24.091
  394   1HG   GLU  23          2HG       GLU  23 -15.940  10.185  21.767
  395   2HG   GLU  23          1HG       GLU  23 -17.204   8.971  21.905
  396    H    LEU  24           H        LEU  24 -14.909  10.889  26.429
  397    HA   LEU  24           HA       LEU  24 -17.017  11.078  28.358
  398   1HB   LEU  24          2HB       LEU  24 -14.918   9.835  28.699
  399   2HB   LEU  24          1HB       LEU  24 -13.999  11.337  28.647
  400    HG   LEU  24           HG       LEU  24 -15.084  12.108  30.736
  401   1HD1  LEU  24          1HD1      LEU  24 -17.247  10.932  30.618
  402   2HD1  LEU  24          2HD1      LEU  24 -16.394  10.490  32.098
  403   3HD1  LEU  24          3HD1      LEU  24 -16.420   9.361  30.724
  404   1HD2  LEU  24          1HD2      LEU  24 -13.976  10.520  32.238
  405   2HD2  LEU  24          2HD2      LEU  24 -12.974  10.844  30.813
  406   3HD2  LEU  24          3HD2      LEU  24 -13.881   9.319  30.930
  407    H    ILE  25           H        ILE  25 -14.920  13.547  26.984
  408    HA   ILE  25           HA       ILE  25 -15.243  15.530  29.028
  409    HB   ILE  25           HB       ILE  25 -14.277  15.606  26.158
  410   1HG1  ILE  25          2HG1      ILE  25 -12.121  16.252  27.299
  411   2HG1  ILE  25          1HG1      ILE  25 -12.898  16.013  28.859
  412   1HG2  ILE  25          1HG2      ILE  25 -14.356  17.991  28.047
  413   2HG2  ILE  25          2HG2      ILE  25 -15.207  17.840  26.484
  414   3HG2  ILE  25          3HG2      ILE  25 -13.454  17.912  26.519
  415   1HD1  ILE  25          1HD1      ILE  25 -13.057  13.612  28.452
  416   2HD1  ILE  25          2HD1      ILE  25 -11.418  14.144  28.122
  417   3HD1  ILE  25          3HD1      ILE  25 -12.511  13.835  26.764
  418    H    ALA  26           H        ALA  26 -17.453  14.536  26.580
  419    HA   ALA  26           HA       ALA  26 -19.096  16.930  26.516
  420   1HB   ALA  26          1HB       ALA  26 -20.707  15.455  25.403
  421   2HB   ALA  26          2HB       ALA  26 -19.766  14.026  25.874
  422   3HB   ALA  26          3HB       ALA  26 -19.085  15.209  24.730
  423    H    GLU  27           H        GLU  27 -18.694  14.461  28.912
  424    HA   GLU  27           HA       GLU  27 -21.189  15.351  30.353
  425   1HB   GLU  27          2HB       GLU  27 -20.065  12.538  30.092
  426   2HB   GLU  27          1HB       GLU  27 -21.299  13.026  31.257
  427   1HG   GLU  27          2HG       GLU  27 -22.768  13.776  29.383
  428   2HG   GLU  27          1HG       GLU  27 -21.574  13.169  28.231
  429    H    ARG  28           H        ARG  28 -17.871  14.156  30.749
  430    HA   ARG  28           HA       ARG  28 -16.321  14.314  32.401
  431   1HB   ARG  28          2HB       ARG  28 -17.818  16.802  33.289
  432   2HB   ARG  28          1HB       ARG  28 -16.106  16.430  33.525
  433   1HG   ARG  28          2HG       ARG  28 -15.788  16.428  31.043
  434   2HG   ARG  28          1HG       ARG  28 -17.490  16.893  30.851
  435   1HD   ARG  28          2HD       ARG  28 -17.023  18.950  32.211
  436   2HD   ARG  28          1HD       ARG  28 -15.295  18.526  32.144
  437    HE   ARG  28           HE       ARG  28 -16.498  18.478  29.511
  438   1HH1  ARG  28          1HH1      ARG  28 -15.322  20.832  31.826
  439   2HH1  ARG  28          2HH1      ARG  28 -15.050  22.035  30.590
  440   1HH2  ARG  28          1HH2      ARG  28 -16.146  20.023  28.014
  441   2HH2  ARG  28          2HH2      ARG  28 -15.505  21.578  28.476
  442    H    ARG  29           H        ARG  29 -18.892  12.972  33.081
  443    HA   ARG  29           HA       ARG  29 -19.452  13.011  35.903
  444   1HB   ARG  29          2HB       ARG  29 -19.898  10.914  33.744
  445   2HB   ARG  29          1HB       ARG  29 -20.491  10.736  35.398
  446   1HG   ARG  29          2HG       ARG  29 -21.978  12.604  35.208
  447   2HG   ARG  29          1HG       ARG  29 -21.194  13.184  33.741
  448   1HD   ARG  29          2HD       ARG  29 -23.247  12.217  33.070
  449   2HD   ARG  29          1HD       ARG  29 -21.941  11.151  32.527
  450    HE   ARG  29           HE       ARG  29 -22.928  10.259  35.071
  451   1HH1  ARG  29          1HH1      ARG  29 -23.906  10.310  31.682
  452   2HH1  ARG  29          2HH1      ARG  29 -24.949   8.922  31.904
  453   1HH2  ARG  29          1HH2      ARG  29 -24.252   8.503  35.242
  454   2HH2  ARG  29          2HH2      ARG  29 -25.131   7.934  33.849
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  14.645 -20.786  16.248
    2   2H5*    G   1          2H5*        G   1  14.063 -21.135  14.611
    3    H4*    G   1           H4*        G   1  12.797 -19.126  16.519
    4    H3*    G   1           H3*        G   1  12.453 -19.194  13.801
    5    H2*    G   1          1H2*        G   1  10.097 -20.620  13.919
    6   2HO*    G   1          2HO*        G   1  11.252 -22.324  12.988
    7    H1*    G   1           H1*        G   1  11.212 -22.651  15.438
    8    H8     G   1           H8         G   1  10.105 -20.107  17.922
    9    H1     G   1           H1         G   1   5.227 -23.425  15.291
   10   1H2     G   1          1H2         G   1   5.956 -24.389  13.429
   11   2H2     G   1          2H2         G   1   7.667 -24.287  12.984
   12   1H5*    G   2          2H5*        G   2  10.948 -19.363  11.977
   13   2H5*    G   2          1H5*        G   2  10.366 -17.987  11.041
   14    H4*    G   2           H4*        G   2   9.597 -20.180  10.165
   15    H3*    G   2           H3*        G   2   7.468 -18.282  11.169
   16    H2*    G   2          1H2*        G   2   5.855 -19.843  10.277
   17   2HO*    G   2          2HO*        G   2   7.425 -20.409   8.420
   18    H1*    G   2           H1*        G   2   7.029 -22.034  11.372
   19    H8     G   2           H8         G   2   7.669 -19.464  14.003
   20    H1     G   2           H1         G   2   1.490 -21.305  13.692
   21   1H2     G   2          1H2         G   2   1.155 -22.321  11.746
   22   2H2     G   2          2H2         G   2   2.517 -22.619  10.655
   23   1H5*    U   3          1H5*        U   3   5.769 -19.179   7.617
   24   2H5*    U   3          2H5*        U   3   5.215 -17.725   6.777
   25    H4*    U   3           H4*        U   3   3.365 -19.273   7.227
   26    H3*    U   3           H3*        U   3   3.243 -16.700   8.822
   27    H2*    U   3          1H2*        U   3   0.999 -17.403   9.432
   28   2HO*    U   3          2HO*        U   3   0.723 -18.523   7.225
   29    H1*    U   3           H1*        U   3   1.811 -19.924  10.090
   30    H3     U   3           H3         U   3   0.985 -17.657  13.981
   31    H5     U   3           H5         U   3   4.941 -16.708  13.023
   32    H6     U   3           H6         U   3   4.657 -17.803  10.865
   33   1H5*    U   4          1H5*        U   4  -0.589 -17.062   6.777
   34   2H5*    U   4          2H5*        U   4  -1.008 -15.479   6.114
   35    H4*    U   4           H4*        U   4  -2.850 -16.393   7.433
   36    H3*    U   4           H3*        U   4  -1.495 -14.003   8.712
   37    H2*    U   4          1H2*        U   4  -3.341 -13.985  10.229
   38   2HO*    U   4          2HO*        U   4  -5.041 -14.450   8.730
   39    H1*    U   4           H1*        U   4  -3.377 -16.744  10.518
   40    H3     U   4           H3         U   4  -2.217 -14.958  14.547
   41    H5     U   4           H5         U   4   1.258 -14.550  12.248
   42    H6     U   4           H6         U   4   0.017 -15.345  10.292
   43   1H5*    C   5          1H5*        C   5  -5.206 -10.338   8.916
   44   2H5*    C   5          2H5*        C   5  -3.843 -10.879   9.912
   45    H4*    C   5           H4*        C   5  -6.678 -11.983  10.125
   46    H3*    C   5           H3*        C   5  -5.146  -9.912  11.717
   47    H2*    C   5          1H2*        C   5  -6.406 -10.619  13.647
   48   2HO*    C   5          2HO*        C   5  -8.374 -11.154  12.227
   49    H1*    C   5           H1*        C   5  -5.919 -13.259  13.231
   50   1H4     C   5          1H4         C   5  -0.089 -11.068  15.322
   51   2H4     C   5          2H4         C   5  -1.123 -11.186  16.751
   52    H5     C   5           H5         C   5  -0.965 -11.386  13.084
   53    H6     C   5           H6         C   5  -2.949 -11.899  11.803
   54   1H5*    A   6          1H5*        A   6  -9.144  -9.400  12.948
   55   2H5*    A   6          2H5*        A   6  -9.558  -7.708  13.245
   56    H4*    A   6           H4*        A   6  -9.848  -9.241  15.212
   57    H3*    A   6           H3*        A   6  -7.886  -6.963  15.530
   58    H2*    A   6          1H2*        A   6  -7.834  -7.608  17.873
   59   2HO*    A   6          2HO*        A   6  -9.129  -9.237  18.725
   60    H1*    A   6           H1*        A   6  -7.365 -10.212  17.318
   61    H8     A   6           H8         A   6  -5.586  -8.586  14.471
   62   1H6     A   6          1H6         A   6  -1.214  -7.163  18.750
   63   2H6     A   6          2H6         A   6  -1.508  -7.212  17.008
   64    H2     A   6           H2         A   6  -4.726  -8.540  20.853
   65   1H5*    C   7          1H5*        C   7 -10.621  -7.009  18.708
   66   2H5*    C   7          2H5*        C   7 -11.157  -5.444  19.306
   67    H4*    C   7           H4*        C   7 -10.118  -7.006  21.019
   68    H3*    C   7           H3*        C   7  -8.990  -4.239  20.613
   69    H2*    C   7          1H2*        C   7  -7.611  -4.648  22.543
   70   2HO*    C   7          2HO*        C   7  -9.068  -5.881  23.806
   71    H1*    C   7           H1*        C   7  -6.787  -7.108  21.696
   72   1H4     C   7          1H4         C   7  -3.059  -3.517  17.757
   73   2H4     C   7          2H4         C   7  -2.367  -3.363  19.376
   74    H5     C   7           H5         C   7  -5.227  -4.575  17.395
   75    H6     C   7           H6         C   7  -7.075  -5.678  18.492
   76   1H5*    C   8          1H5*        C   8  -8.812  -4.002  26.084
   77   2H5*    C   8          2H5*        C   8 -10.233  -2.974  25.864
   78    H4*    C   8           H4*        C   8  -8.956  -1.420  24.509
   79    H3*    C   8           H3*        C   8  -7.941  -0.290  26.139
   80    H2*    C   8          1H2*        C   8  -5.874  -1.049  26.992
   81   2HO*    C   8          2HO*        C   8  -6.980  -2.913  28.123
   82    H1*    C   8           H1*        C   8  -5.388  -3.057  25.194
   83   1H4     C   8          1H4         C   8  -3.425   1.605  21.250
   84   2H4     C   8          2H4         C   8  -2.009   1.047  22.139
   85    H5     C   8           H5         C   8  -5.652   0.982  21.837
   86    H6     C   8           H6         C   8  -7.001  -0.399  23.297
   87   1H5*    U   9          1H5*        U   9  -7.588   1.939  29.461
   88   2H5*    U   9          2H5*        U   9  -7.223   1.561  27.772
   89    H4*    U   9           H4*        U   9  -5.272   0.988  30.045
   90    H3*    U   9           H3*        U   9  -5.677   3.481  28.381
   91    H2*    U   9          1H2*        U   9  -3.307   3.871  28.550
   92   2HO*    U   9          2HO*        U   9  -3.280   2.850  30.822
   93    H1*    U   9           H1*        U   9  -2.660   1.298  27.881
   94    H3     U   9           H3         U   9  -1.870   4.051  24.254
   95    H5     U   9           H5         U   9  -5.818   2.826  23.868
   96    H6     U   9           H6         U   9  -5.731   1.825  26.069
   97   1H5*    C  10          1H5*        C  10  -2.948   4.887  31.437
   98   2H5*    C  10          2H5*        C  10  -3.768   6.256  32.207
   99    H4*    C  10           H4*        C  10  -1.497   6.886  31.608
  100    H3*    C  10           H3*        C  10  -3.710   8.199  30.011
  101    H2*    C  10          1H2*        C  10  -2.079   9.547  28.954
  102   2HO*    C  10          2HO*        C  10  -0.903   9.746  31.147
  103    H1*    C  10           H1*        C  10  -0.115   7.563  28.818
  104   1H4     C  10          1H4         C  10  -1.951   7.269  22.965
  105   2H4     C  10          2H4         C  10  -3.341   6.244  23.319
  106    H5     C  10           H5         C  10  -4.091   5.938  25.642
  107    H6     C  10           H6         C  10  -3.463   6.305  27.977
  108   1H5*    U  11          1H5*        U  11  -2.238  11.836  31.021
  109   2H5*    U  11          2H5*        U  11  -3.604  12.790  31.639
  110    H4*    U  11           H4*        U  11  -2.848  13.819  29.588
  111    H3*    U  11           H3*        U  11  -5.385  12.212  29.171
  112    H2*    U  11          1H2*        U  11  -5.485  13.144  26.991
  113   2HO*    U  11          2HO*        U  11  -4.712  15.305  27.864
  114    H1*    U  11           H1*        U  11  -2.725  12.951  26.587
  115    H3     U  11           H3         U  11  -3.862   9.783  23.596
  116    H5     U  11           H5         U  11  -5.860   8.499  27.024
  117    H6     U  11           H6         U  11  -4.861  10.351  28.270
  118   1H5*    A  12          1H5*        A  12  -9.311  15.764  28.662
  119   2H5*    A  12          2H5*        A  12  -9.065  14.233  27.810
  120    H4*    A  12           H4*        A  12  -9.782  15.827  26.197
  121    H3*    A  12           H3*        A  12  -6.814  15.269  26.021
  122    H2*    A  12          1H2*        A  12  -6.791  16.520  24.000
  123   2HO*    A  12          2HO*        A  12  -8.793  15.789  23.124
  124    H1*    A  12           H1*        A  12  -8.247  18.583  25.015
  125    H8     A  12           H8         A  12  -6.157  17.309  27.893
  126   1H6     A  12          1H6         A  12  -2.176  20.188  26.935
  127   2H6     A  12          2H6         A  12  -1.829  21.185  25.514
  128    H2     A  12           H2         A  12  -4.939  20.767  22.589
  129   1H5*    A  13          1H5*        A  13  -4.778  12.808  22.897
  130   2H5*    A  13          2H5*        A  13  -3.859  13.549  24.216
  131    H4*    A  13           H4*        A  13  -5.450  15.154  22.179
  132    H3*    A  13           H3*        A  13  -2.535  14.407  22.516
  133    H2*    A  13          1H2*        A  13  -1.966  16.483  21.513
  134   2HO*    A  13          2HO*        A  13  -3.696  16.399  19.874
  135    H1*    A  13           H1*        A  13  -3.933  17.921  22.851
  136    H8     A  13           H8         A  13  -2.820  16.054  25.723
  137   1H6     A  13          1H6         A  13   1.460  18.490  26.631
  138   2H6     A  13          2H6         A  13   2.363  19.592  25.585
  139    H2     A  13           H2         A  13   0.402  20.001  21.786
  140   1H5*    C  14          1H5*        C  14   0.206  13.819  18.566
  141   2H5*    C  14          2H5*        C  14   0.334  13.729  20.326
  142    H4*    C  14           H4*        C  14   0.685  16.223  18.602
  143    H3*    C  14           H3*        C  14   2.408  14.435  20.330
  144    H2*    C  14          1H2*        C  14   3.789  16.213  20.962
  145   2HO*    C  14          2HO*        C  14   3.570  17.314  18.786
  146    H1*    C  14           H1*        C  14   1.747  17.859  21.594
  147   1H4     C  14          1H4         C  14   1.352  13.631  26.578
  148   2H4     C  14          2H4         C  14   2.782  14.623  26.869
  149    H5     C  14           H5         C  14   0.110  13.784  24.488
  150    H6     C  14           H6         C  14   0.043  14.841  22.321
  151   1H5*    C  15          1H5*        C  15   5.383  15.140  19.721
  152   2H5*    C  15          2H5*        C  15   6.459  13.872  19.114
  153    H4*    C  15           H4*        C  15   6.954  14.383  21.455
  154    H3*    C  15           H3*        C  15   5.607  11.693  21.084
  155    H2*    C  15          1H2*        C  15   6.172  11.297  23.393
  156   2HO*    C  15          2HO*        C  15   8.292  12.401  23.283
  157    H1*    C  15           H1*        C  15   5.343  13.790  24.209
  158   1H4     C  15          1H4         C  15   0.018   9.964  23.446
  159   2H4     C  15          2H4         C  15   0.599   9.702  25.082
  160    H5     C  15           H5         C  15   1.246  11.269  21.817
  161    H6     C  15           H6         C  15   3.221  12.634  21.471
  162   1H5*    G  16          1H5*        G  16   7.871   7.665  21.999
  163   2H5*    G  16          2H5*        G  16   6.258   8.245  21.525
  164    H4*    G  16           H4*        G  16   7.294   8.630  24.347
  165    H3*    G  16           H3*        G  16   5.829   6.228  23.228
  166    H2*    G  16          1H2*        G  16   5.038   5.936  25.510
  167   2HO*    G  16          2HO*        G  16   7.133   6.872  26.438
  168    H1*    G  16           H1*        G  16   4.256   8.563  25.664
  169    H8     G  16           H8         G  16   3.576   7.850  22.092
  170    H1     G  16           H1         G  16  -0.187   4.317  25.969
  171   1H2     G  16          1H2         G  16   1.902   5.547  28.405
  172   2H2     G  16          2H2         G  16   0.481   4.567  28.057
  173   1H5*    G  17          1H5*        G  17   7.036   4.723  26.699
  174   2H5*    G  17          2H5*        G  17   7.939   3.218  26.491
  175    H4*    G  17           H4*        G  17   6.121   2.953  28.106
  176    H3*    G  17           H3*        G  17   5.717   1.444  25.510
  177    H2*    G  17          1H2*        G  17   3.913   0.331  26.660
  178   2HO*    G  17          2HO*        G  17   4.953   0.179  28.762
  179    H1*    G  17           H1*        G  17   2.884   2.655  27.672
  180    H8     G  17           H8         G  17   4.186   3.482  24.226
  181    H1     G  17           H1         G  17  -1.324   0.108  24.187
  182   1H2     G  17          1H2         G  17  -1.727  -0.664  26.214
  183   2H2     G  17          2H2         G  17  -0.640  -0.237  27.541
  184   1H5*    G  18          1H5*        G  18   5.765  -3.604  26.775
  185   2H5*    G  18          2H5*        G  18   5.214  -2.680  25.360
  186    H4*    G  18           H4*        G  18   3.638  -2.834  27.957
  187    H3*    G  18           H3*        G  18   3.390  -4.495  25.430
  188    H2*    G  18          1H2*        G  18   1.036  -4.688  26.031
  189   2HO*    G  18          2HO*        G  18   1.678  -4.570  28.466
  190    H1*    G  18           H1*        G  18   0.802  -2.016  26.507
  191    H8     G  18           H8         G  18   3.125  -1.801  23.675
  192    H1     G  18           H1         G  18  -2.710  -3.856  21.823
  193   1H2     G  18          1H2         G  18  -3.838  -4.526  23.615
  194   2H2     G  18          2H2         G  18  -3.142  -4.230  25.222
  195   1H5*    U  19          1H5*        U  19   1.187  -6.469  28.386
  196   2H5*    U  19          2H5*        U  19   1.394  -8.219  28.354
  197    H4*    U  19           H4*        U  19  -0.977  -7.455  28.248
  198    H3*    U  19           H3*        U  19   0.078  -9.035  25.895
  199    H2*    U  19          1H2*        U  19  -2.258  -9.175  25.204
  200   2HO*    U  19          2HO*        U  19  -2.938  -9.073  27.641
  201    H1*    U  19           H1*        U  19  -2.666  -6.510  25.518
  202    H3     U  19           H3         U  19  -2.266  -7.438  21.022
  203    H5     U  19           H5         U  19   1.524  -6.244  22.305
  204    H6     U  19           H6         U  19   0.779  -6.447  24.615
  205   1H5*    G  20          1H5*        G  20  -3.469 -10.895  27.424
  206   2H5*    G  20          2H5*        G  20  -3.291 -12.644  27.518
  207    H4*    G  20           H4*        G  20  -5.351 -11.936  26.334
  208    H3*    G  20           H3*        G  20  -3.279 -13.451  24.737
  209    H2*    G  20          1H2*        G  20  -4.945 -13.620  23.008
  210   2HO*    G  20          2HO*        G  20  -6.801 -13.958  24.336
  211    H1*    G  20           H1*        G  20  -5.673 -10.990  23.156
  212    H8     G  20           H8         G  20  -1.975 -10.989  23.803
  213    H1     G  20           H1         G  20  -3.489 -11.781  17.578
  214   1H2     G  20          1H2         G  20  -5.641 -12.257  17.408
  215   2H2     G  20          2H2         G  20  -6.650 -12.306  18.859
  216   1H5*    A  21          1H5*        A  21  -6.347 -17.844  23.793
  217   2H5*    A  21          2H5*        A  21  -5.016 -17.094  22.895
  218    H4*    A  21           H4*        A  21  -7.956 -16.311  22.652
  219    H3*    A  21           H3*        A  21  -6.098 -18.136  21.156
  220    H2*    A  21          1H2*        A  21  -6.800 -17.372  19.037
  221   2HO*    A  21          2HO*        A  21  -9.119 -17.306  19.706
  222    H1*    A  21           H1*        A  21  -6.948 -14.711  19.629
  223    H8     A  21           H8         A  21  -3.968 -15.510  21.643
  224   1H6     A  21          1H6         A  21  -0.846 -14.614  16.296
  225   2H6     A  21          2H6         A  21  -0.672 -14.765  18.042
  226    H2     A  21           H2         A  21  -5.048 -15.187  15.296
  227   1H5*    G  22          1H5*        G  22  -7.363 -21.798  18.978
  228   2H5*    G  22          2H5*        G  22  -6.220 -20.438  18.971
  229    H4*    G  22           H4*        G  22  -8.602 -20.633  17.086
  230    H3*    G  22           H3*        G  22  -5.786 -21.667  16.800
  231    H2*    G  22          1H2*        G  22  -5.857 -21.098  14.477
  232   2HO*    G  22          2HO*        G  22  -8.266 -21.662  14.376
  233    H1*    G  22           H1*        G  22  -6.848 -18.595  14.872
  234    H8     G  22           H8         G  22  -4.894 -18.634  17.941
  235    H1     G  22           H1         G  22  -1.094 -18.593  12.743
  236   1H2     G  22          1H2         G  22  -2.257 -19.257  10.982
  237   2H2     G  22          2H2         G  22  -3.966 -19.645  11.161
  238   1H5*    C  23          1H5*        C  23  -7.013 -23.629  13.662
  239   2H5*    C  23          2H5*        C  23  -6.678 -25.363  13.803
  240    H4*    C  23           H4*        C  23  -5.506 -24.490  11.883
  241    H3*    C  23           H3*        C  23  -3.633 -25.047  14.204
  242    H2*    C  23          1H2*        C  23  -1.845 -24.690  12.619
  243   2HO*    C  23          2HO*        C  23  -3.247 -25.632  10.786
  244    H1*    C  23           H1*        C  23  -2.959 -22.387  11.644
  245   1H4     C  23          1H4         C  23  -0.390 -20.632  17.444
  246   2H4     C  23          2H4         C  23   0.882 -20.574  16.210
  247    H5     C  23           H5         C  23  -2.613 -21.562  16.914
  248    H6     C  23           H6         C  23  -3.958 -22.510  15.131
  249   1H5*    C  24          1H5*        C  24  -1.817 -27.133  11.088
  250   2H5*    C  24          2H5*        C  24  -1.454 -28.782  11.612
  251    H4*    C  24           H4*        C  24   0.538 -27.722  10.701
  252    H3*    C  24           H3*        C  24   0.659 -28.101  13.715
  253    H2*    C  24          1H2*        C  24   2.960 -27.521  13.534
  254   2HO*    C  24          2HO*        C  24   3.263 -28.759  11.480
  255    H1*    C  24           H1*        C  24   2.500 -25.500  11.661
  256   1H4     C  24          1H4         C  24   1.731 -22.944  17.696
  257   2H4     C  24          2H4         C  24   3.405 -22.710  17.170
  258    H5     C  24           H5         C  24   0.172 -24.283  16.364
  259    H6     C  24           H6         C  24  -0.069 -25.552  14.282
  260   1H    GLU   8          1H        GLU   8  -1.690   9.559  12.144
  261   2H    GLU   8          2H        GLU   8  -2.121   8.137  11.442
  262   3H    GLU   8          3H        GLU   8  -3.155   8.903  12.468
  263    HA   GLU   8           HA       GLU   8  -3.362  10.753  10.967
  264   1HB   GLU   8          2HB       GLU   8  -2.564  10.063   8.493
  265   2HB   GLU   8          1HB       GLU   8  -1.713  11.117   9.592
  266   1HG   GLU   8          2HG       GLU   8  -0.154   9.665   8.508
  267   2HG   GLU   8          1HG       GLU   8  -0.165   9.340  10.234
  268    H    SER   9           H        SER   9  -3.399   7.433   9.545
  269    HA   SER   9           HA       SER   9  -6.332   7.823   9.015
  270   1HB   SER   9          2HB       SER   9  -4.736   8.407   7.109
  271   2HB   SER   9          1HB       SER   9  -4.358   6.681   7.019
  272    HG   SER   9           HG       SER   9  -6.670   6.347   6.736
  273    H    LYS  10           H        LYS  10  -4.124   5.674  10.414
  274    HA   LYS  10           HA       LYS  10  -5.302   3.144   9.562
  275   1HB   LYS  10          2HB       LYS  10  -3.494   3.889  11.909
  276   2HB   LYS  10          1HB       LYS  10  -4.140   2.276  11.677
  277   1HG   LYS  10          2HG       LYS  10  -2.056   2.096  10.739
  278   2HG   LYS  10          1HG       LYS  10  -3.108   2.278   9.334
  279   1HD   LYS  10          2HD       LYS  10  -2.448   4.677   9.176
  280   2HD   LYS  10          1HD       LYS  10  -1.450   4.487  10.637
  281   1HE   LYS  10          2HE       LYS  10  -0.151   2.698   9.383
  282   2HE   LYS  10          1HE       LYS  10  -1.081   3.123   7.937
  283   1HZ   LYS  10          1HZ       LYS  10   0.972   4.359   7.932
  284   2HZ   LYS  10          2HZ       LYS  10   0.733   4.921   9.448
  285   3HZ   LYS  10          3HZ       LYS  10  -0.219   5.449   8.239
  286    H    GLY  11           H        GLY  11  -6.536   1.713  10.735
  287   1HA   GLY  11          2HA       GLY  11  -8.584   2.846  12.593
  288   2HA   GLY  11          1HA       GLY  11  -8.733   1.377  11.635
  289    H    THR  12           H        THR  12  -5.717   1.750  13.270
  290    HA   THR  12           HA       THR  12  -5.988  -0.641  14.838
  291    HB   THR  12           HB       THR  12  -3.768   0.141  15.804
  292    HG1  THR  12           HG1      THR  12  -2.820   1.903  14.734
  293   1HG2  THR  12          1HG2      THR  12  -2.505  -0.185  13.727
  294   2HG2  THR  12          2HG2      THR  12  -3.964   0.107  12.759
  295   3HG2  THR  12          3HG2      THR  12  -3.862  -1.320  13.812
  296    H    ALA  13           H        ALA  13  -5.494  -0.764  17.150
  297    HA   ALA  13           HA       ALA  13  -7.572   0.308  18.627
  298   1HB   ALA  13          1HB       ALA  13  -6.541  -0.792  20.514
  299   2HB   ALA  13          2HB       ALA  13  -4.950  -0.798  19.713
  300   3HB   ALA  13          3HB       ALA  13  -6.289  -1.783  19.077
  301    H    LYS  14           H        LYS  14  -4.322   1.703  18.337
  302    HA   LYS  14           HA       LYS  14  -4.510   3.749  20.378
  303   1HB   LYS  14          2HB       LYS  14  -3.006   3.640  17.728
  304   2HB   LYS  14          1HB       LYS  14  -2.934   5.029  18.816
  305   1HG   LYS  14          2HG       LYS  14  -2.033   3.623  20.627
  306   2HG   LYS  14          1HG       LYS  14  -2.081   2.204  19.557
  307   1HD   LYS  14          2HD       LYS  14  -0.525   3.275  18.000
  308   2HD   LYS  14          1HD       LYS  14  -0.484   4.748  18.974
  309   1HE   LYS  14          2HE       LYS  14   0.339   2.028  20.073
  310   2HE   LYS  14          1HE       LYS  14   1.467   3.065  19.194
  311   1HZ   LYS  14          1HZ       LYS  14   1.601   3.390  21.604
  312   2HZ   LYS  14          2HZ       LYS  14   0.059   3.878  21.684
  313   3HZ   LYS  14          3HZ       LYS  14   1.155   4.784  20.872
  314    H    SER  15           H        SER  15  -5.261   4.004  16.888
  315    HA   SER  15           HA       SER  15  -6.333   6.629  16.936
  316   1HB   SER  15          2HB       SER  15  -6.990   4.316  15.069
  317   2HB   SER  15          1HB       SER  15  -7.391   6.020  14.783
  318    HG   SER  15           HG       SER  15  -5.458   5.383  13.751
  319    H    ARG  16           H        ARG  16  -7.974   3.500  17.374
  320    HA   ARG  16           HA       ARG  16 -10.665   4.562  17.627
  321   1HB   ARG  16          2HB       ARG  16  -9.477   2.000  18.779
  322   2HB   ARG  16          1HB       ARG  16 -11.198   2.403  18.699
  323   1HG   ARG  16          2HG       ARG  16 -10.956   2.599  16.176
  324   2HG   ARG  16          1HG       ARG  16  -9.327   1.947  16.334
  325   1HD   ARG  16          2HD       ARG  16 -11.936   0.584  17.067
  326   2HD   ARG  16          1HD       ARG  16 -10.881   0.183  15.721
  327    HE   ARG  16           HE       ARG  16 -10.363  -0.320  18.627
  328   1HH1  ARG  16          1HH2      ARG  16  -9.255  -1.036  15.346
  329   2HH1  ARG  16          2HH2      ARG  16  -8.791  -2.663  15.860
  330   1HH2  ARG  16          1HH1      ARG  16  -9.411  -2.212  19.164
  331   2HH2  ARG  16          2HH1      ARG  16  -8.708  -3.193  17.900
  332    H    TYR  17           H        TYR  17  -8.262   3.705  20.155
  333    HA   TYR  17           HA       TYR  17  -9.941   4.484  22.310
  334   1HB   TYR  17          2HB       TYR  17  -7.897   2.997  22.369
  335   2HB   TYR  17          1HB       TYR  17  -6.919   4.463  22.375
  336    HD1  TYR  17           HD1      TYR  17  -9.714   2.689  24.138
  337    HD2  TYR  17           HD2      TYR  17  -6.524   5.579  24.481
  338    HE1  TYR  17           HE1      TYR  17 -10.067   2.796  26.606
  339    HE2  TYR  17           HE2      TYR  17  -6.829   5.617  26.947
  340    HH   TYR  17           HH       TYR  17  -7.968   4.742  28.734
  341    H    LYS  18           H        LYS  18  -7.527   6.384  20.523
  342    HA   LYS  18           HA       LYS  18  -7.556   8.822  21.944
  343   1HB   LYS  18          2HB       LYS  18  -6.065   8.400  20.063
  344   2HB   LYS  18          1HB       LYS  18  -7.423   8.212  18.964
  345   1HG   LYS  18          2HG       LYS  18  -6.441  10.299  18.496
  346   2HG   LYS  18          1HG       LYS  18  -7.992  10.628  19.256
  347   1HD   LYS  18          2HD       LYS  18  -6.714  10.967  21.451
  348   2HD   LYS  18          1HD       LYS  18  -5.216  10.862  20.516
  349   1HE   LYS  18          2HE       LYS  18  -7.479  12.877  20.122
  350   2HE   LYS  18          1HE       LYS  18  -5.952  13.199  20.937
  351   1HZ   LYS  18          1HZ       LYS  18  -6.191  12.489  18.062
  352   2HZ   LYS  18          2HZ       LYS  18  -4.784  12.823  18.847
  353   3HZ   LYS  18          3HZ       LYS  18  -5.908  13.983  18.656
  354    H    ALA  19           H        ALA  19  -9.937   7.731  19.502
  355    HA   ALA  19           HA       ALA  19 -11.676  10.030  19.808
  356   1HB   ALA  19          1HB       ALA  19 -12.276   7.238  18.737
  357   2HB   ALA  19          2HB       ALA  19 -11.668   8.612  17.789
  358   3HB   ALA  19          3HB       ALA  19 -13.278   8.686  18.529
  359    H    ARG  20           H        ARG  20 -11.786   6.719  21.171
  360    HA   ARG  20           HA       ARG  20 -14.209   7.013  22.647
  361   1HB   ARG  20          2HB       ARG  20 -11.847   5.153  23.079
  362   2HB   ARG  20          1HB       ARG  20 -13.349   5.047  23.995
  363   1HG   ARG  20          2HG       ARG  20 -14.656   4.663  21.978
  364   2HG   ARG  20          1HG       ARG  20 -13.228   4.862  20.953
  365   1HD   ARG  20          2HD       ARG  20 -12.174   2.894  22.008
  366   2HD   ARG  20          1HD       ARG  20 -13.570   2.719  23.081
  367    HE   ARG  20           HE       ARG  20 -13.865   2.582  20.095
  368   1HH1  ARG  20          1HH1      ARG  20 -14.383   0.947  23.156
  369   2HH1  ARG  20          2HH1      ARG  20 -15.347  -0.299  22.409
  370   1HH2  ARG  20          1HH2      ARG  20 -15.087   0.979  19.231
  371   2HH2  ARG  20          2HH2      ARG  20 -15.723  -0.277  20.255
  372    H    ARG  21           H        ARG  21 -10.946   7.900  23.730
  373    HA   ARG  21           HA       ARG  21 -11.503   8.374  26.483
  374   1HB   ARG  21          2HB       ARG  21  -9.616   9.700  24.520
  375   2HB   ARG  21          1HB       ARG  21  -9.740  10.303  26.165
  376   1HG   ARG  21          2HG       ARG  21  -9.119   7.398  25.518
  377   2HG   ARG  21          1HG       ARG  21  -7.883   8.634  25.702
  378   1HD   ARG  21          2HD       ARG  21  -9.864   7.840  27.880
  379   2HD   ARG  21          1HD       ARG  21  -8.220   7.237  27.720
  380    HE   ARG  21           HE       ARG  21  -8.690  10.176  28.055
  381   1HH1  ARG  21          1HH1      ARG  21  -7.145   7.231  29.465
  382   2HH1  ARG  21          2HH1      ARG  21  -6.372   8.287  30.625
  383   1HH2  ARG  21          1HH2      ARG  21  -7.518  11.252  29.729
  384   2HH2  ARG  21          2HH2      ARG  21  -6.530  10.195  30.732
  385    H    ALA  22           H        ALA  22 -12.096  10.609  23.773
  386    HA   ALA  22           HA       ALA  22 -13.043  12.796  25.339
  387   1HB   ALA  22          1HB       ALA  22 -12.361  12.959  22.969
  388   2HB   ALA  22          2HB       ALA  22 -13.994  13.604  23.227
  389   3HB   ALA  22          3HB       ALA  22 -13.783  12.004  22.490
  390    H    GLU  23           H        GLU  23 -14.771   9.953  24.084
  391    HA   GLU  23           HA       GLU  23 -17.414  10.786  25.038
  392   1HB   GLU  23          2HB       GLU  23 -16.362   8.039  24.233
  393   2HB   GLU  23          1HB       GLU  23 -18.046   8.444  24.535
  394   1HG   GLU  23          2HG       GLU  23 -16.310   9.616  22.313
  395   2HG   GLU  23          1HG       GLU  23 -17.492   8.335  22.127
  396    H    LEU  24           H        LEU  24 -14.898   8.547  26.232
  397    HA   LEU  24           HA       LEU  24 -16.242   7.503  28.456
  398   1HB   LEU  24          2HB       LEU  24 -14.187   6.591  27.456
  399   2HB   LEU  24          1HB       LEU  24 -13.275   7.993  28.013
  400    HG   LEU  24           HG       LEU  24 -13.643   7.323  30.371
  401   1HD1  LEU  24          1HD1      LEU  24 -14.520   5.047  30.865
  402   2HD1  LEU  24          2HD1      LEU  24 -15.009   4.873  29.164
  403   3HD1  LEU  24          3HD1      LEU  24 -15.773   6.099  30.200
  404   1HD2  LEU  24          1HD2      LEU  24 -11.652   6.554  29.150
  405   2HD2  LEU  24          2HD2      LEU  24 -12.528   5.105  28.609
  406   3HD2  LEU  24          3HD2      LEU  24 -12.182   5.352  30.336
  407    H    ILE  25           H        ILE  25 -14.497  10.570  28.254
  408    HA   ILE  25           HA       ILE  25 -14.358  11.223  31.021
  409    HB   ILE  25           HB       ILE  25 -14.477  12.872  28.490
  410   1HG1  ILE  25          2HG1      ILE  25 -12.232  12.531  30.534
  411   2HG1  ILE  25          1HG1      ILE  25 -12.469  11.389  29.226
  412   1HG2  ILE  25          1HG2      ILE  25 -13.778  14.870  29.814
  413   2HG2  ILE  25          2HG2      ILE  25 -14.111  13.979  31.312
  414   3HG2  ILE  25          3HG2      ILE  25 -15.423  14.377  30.172
  415   1HD1  ILE  25          1HD1      ILE  25 -11.782  14.330  28.907
  416   2HD1  ILE  25          2HD1      ILE  25 -12.219  13.247  27.562
  417   3HD1  ILE  25          3HD1      ILE  25 -10.780  12.916  28.543
  418    H    ALA  26           H        ALA  26 -17.233  11.139  29.006
  419    HA   ALA  26           HA       ALA  26 -18.908  12.729  30.766
  420   1HB   ALA  26          1HB       ALA  26 -20.737  11.793  29.455
  421   2HB   ALA  26          2HB       ALA  26 -19.666  10.559  28.767
  422   3HB   ALA  26          3HB       ALA  26 -19.418  12.278  28.372
  423    H    GLU  27           H        GLU  27 -17.667   9.500  31.002
  424    HA   GLU  27           HA       GLU  27 -19.525   8.823  33.274
  425   1HB   GLU  27          2HB       GLU  27 -17.962   7.017  31.389
  426   2HB   GLU  27          1HB       GLU  27 -18.822   6.476  32.835
  427   1HG   GLU  27          2HG       GLU  27 -20.957   7.329  31.902
  428   2HG   GLU  27          1HG       GLU  27 -20.110   7.842  30.437
  429    H    ARG  28           H        ARG  28 -16.196   9.161  32.313
  430    HA   ARG  28           HA       ARG  28 -14.175   8.821  33.332
  431   1HB   ARG  28          2HB       ARG  28 -13.780  10.425  35.118
  432   2HB   ARG  28          1HB       ARG  28 -14.690  11.062  33.763
  433   1HG   ARG  28          2HG       ARG  28 -16.823  10.711  35.207
  434   2HG   ARG  28          1HG       ARG  28 -15.719  10.412  36.553
  435   1HD   ARG  28          2HD       ARG  28 -16.396  12.715  36.605
  436   2HD   ARG  28          1HD       ARG  28 -14.692  12.676  36.108
  437    HE   ARG  28           HE       ARG  28 -16.203  12.633  33.723
  438   1HH1  ARG  28          1HH1      ARG  28 -15.843  14.968  36.310
  439   2HH1  ARG  28          2HH1      ARG  28 -16.226  16.300  35.244
  440   1HH2  ARG  28          1HH2      ARG  28 -16.638  14.263  32.486
  441   2HH2  ARG  28          2HH2      ARG  28 -16.679  15.913  33.091
  442    H    ARG  29           H        ARG  29 -15.152   6.610  33.523
  443    HA   ARG  29           HA       ARG  29 -15.554   5.207  35.960
  444   1HB   ARG  29          2HB       ARG  29 -14.294   4.227  33.361
  445   2HB   ARG  29          1HB       ARG  29 -14.887   3.188  34.648
  446   1HG   ARG  29          2HG       ARG  29 -16.627   5.079  32.993
  447   2HG   ARG  29          1HG       ARG  29 -16.441   3.345  32.735
  448   1HD   ARG  29          2HD       ARG  29 -17.312   2.925  35.033
  449   2HD   ARG  29          1HD       ARG  29 -17.623   4.663  35.212
  450    HE   ARG  29           HE       ARG  29 -19.014   4.147  32.932
  451   1HH1  ARG  29          1HH1      ARG  29 -19.135   2.378  35.966
  452   2HH1  ARG  29          2HH1      ARG  29 -20.775   1.867  35.648
  453   1HH2  ARG  29          1HH2      ARG  29 -20.933   3.542  32.638
  454   2HH2  ARG  29          2HH2      ARG  29 -21.815   2.508  33.773
  Start of MODEL    8
    1   1H5*    G   1          2H5*        G   1  16.554  -6.257  12.074
    2   2H5*    G   1          1H5*        G   1  15.437  -7.178  13.102
    3    H4*    G   1           H4*        G   1  17.011  -8.411  10.807
    4    H3*    G   1           H3*        G   1  15.644  -7.064   9.544
    5    H2*    G   1          1H2*        G   1  13.553  -8.863   9.351
    6   2HO*    G   1          2HO*        G   1  14.945  -9.980   7.955
    7    H1*    G   1           H1*        G   1  15.462 -10.821  10.238
    8    H8     G   1           H8         G   1  13.530 -10.288  13.243
    9    H1     G   1           H1         G   1  10.222 -13.590   8.786
   10   1H2     G   1          1H2         G   1  11.107 -13.168   6.793
   11   2H2     G   1          2H2         G   1  12.592 -12.215   6.665
   12   1H5*    G   2          1H5*        G   2  11.415  -4.888   8.383
   13   2H5*    G   2          2H5*        G   2  11.391  -6.411   9.285
   14    H4*    G   2           H4*        G   2  12.420  -6.256   6.423
   15    H3*    G   2           H3*        G   2   9.625  -6.539   7.515
   16    H2*    G   2          1H2*        G   2   9.098  -8.167   5.870
   17   2HO*    G   2          2HO*        G   2  10.500  -8.716   4.159
   18    H1*    G   2           H1*        G   2  11.345  -9.657   6.257
   19    H8     G   2           H8         G   2  11.075  -8.620   9.724
   20    H1     G   2           H1         G   2   6.199 -12.511   8.057
   21   1H2     G   2          1H2         G   2   6.069 -12.600   5.854
   22   2H2     G   2          2H2         G   2   7.260 -11.747   4.859
   23   1H5*    U   3          1H5*        U   3   8.273  -6.424   3.991
   24   2H5*    U   3          2H5*        U   3   7.047  -5.170   3.732
   25    H4*    U   3           H4*        U   3   6.086  -7.383   3.376
   26    H3*    U   3           H3*        U   3   5.114  -6.061   5.926
   27    H2*    U   3          1H2*        U   3   3.492  -7.863   6.026
   28   2HO*    U   3          2HO*        U   3   3.392  -7.957   3.544
   29    H1*    U   3           H1*        U   3   5.377  -9.779   5.566
   30    H3     U   3           H3         U   3   4.286  -9.991  10.008
   31    H5     U   3           H5         U   3   7.280  -7.089   9.790
   32    H6     U   3           H6         U   3   7.149  -7.165   7.357
   33   1H5*    U   4          1H5*        U   4   1.576  -7.154   3.653
   34   2H5*    U   4          2H5*        U   4   0.410  -5.832   3.751
   35    H4*    U   4           H4*        U   4  -0.612  -7.966   4.376
   36    H3*    U   4           H3*        U   4  -0.293  -6.025   6.680
   37    H2*    U   4          1H2*        U   4  -1.712  -7.518   7.905
   38   2HO*    U   4          2HO*        U   4  -3.211  -8.036   6.219
   39    H1*    U   4           H1*        U   4  -0.447  -9.794   6.953
   40    H3     U   4           H3         U   4   0.415  -9.545  11.419
   41    H5     U   4           H5         U   4   2.928  -6.637   9.770
   42    H6     U   4           H6         U   4   1.871  -7.007   7.590
   43   1H5*    C   5          1H5*        C   5  -5.263  -5.042   8.081
   44   2H5*    C   5          2H5*        C   5  -3.712  -5.211   8.924
   45    H4*    C   5           H4*        C   5  -5.581  -7.543   8.310
   46    H3*    C   5           H3*        C   5  -5.226  -5.781  10.744
   47    H2*    C   5          1H2*        C   5  -5.721  -7.689  12.117
   48   2HO*    C   5          2HO*        C   5  -7.304  -8.527  10.391
   49    H1*    C   5           H1*        C   5  -4.081  -9.388  10.748
   50   1H4     C   5          1H4         C   5   0.630  -6.395  13.991
   51   2H4     C   5          2H4         C   5  -0.069  -7.568  15.104
   52    H5     C   5           H5         C   5  -0.411  -5.820  11.894
   53    H6     C   5           H6         C   5  -2.224  -6.366  10.388
   54   1H5*    A   6          1H5*        A   6  -8.746  -7.656  11.765
   55   2H5*    A   6          2H5*        A   6  -9.927  -6.509  12.419
   56    H4*    A   6           H4*        A   6  -9.343  -8.230  14.084
   57    H3*    A   6           H3*        A   6  -8.401  -5.436  14.716
   58    H2*    A   6          1H2*        A   6  -7.649  -6.286  16.826
   59   2HO*    A   6          2HO*        A   6  -9.434  -7.696  17.269
   60    H1*    A   6           H1*        A   6  -6.511  -8.555  15.815
   61    H8     A   6           H8         A   6  -5.864  -5.736  13.326
   62   1H6     A   6          1H6         A   6  -1.059  -4.426  17.152
   63   2H6     A   6          2H6         A   6  -1.694  -4.114  15.539
   64    H2     A   6           H2         A   6  -3.634  -7.338  19.123
   65   1H5*    C   7          1H5*        C   7 -10.626  -4.142  19.135
   66   2H5*    C   7          2H5*        C   7  -9.073  -3.910  18.310
   67    H4*    C   7           H4*        C   7  -9.643  -6.197  20.236
   68    H3*    C   7           H3*        C   7  -8.433  -3.451  20.638
   69    H2*    C   7          1H2*        C   7  -6.912  -4.437  22.243
   70   2HO*    C   7          2HO*        C   7  -8.740  -6.092  22.827
   71    H1*    C   7           H1*        C   7  -6.243  -6.568  20.675
   72   1H4     C   7          1H4         C   7  -2.828  -1.840  17.703
   73   2H4     C   7          2H4         C   7  -2.050  -2.070  19.271
   74    H5     C   7           H5         C   7  -4.932  -2.916  17.146
   75    H6     C   7           H6         C   7  -6.673  -4.399  17.967
   76   1H5*    C   8          1H5*        C   8  -8.785  -5.096  24.605
   77   2H5*    C   8          2H5*        C   8  -9.705  -3.972  25.611
   78    H4*    C   8           H4*        C   8  -7.619  -4.621  26.709
   79    H3*    C   8           H3*        C   8  -7.786  -1.739  25.798
   80    H2*    C   8          1H2*        C   8  -5.747  -1.363  26.988
   81   2HO*    C   8          2HO*        C   8  -6.290  -2.703  28.850
   82    H1*    C   8           H1*        C   8  -4.556  -3.716  26.169
   83   1H4     C   8          1H4         C   8  -3.449   0.336  21.147
   84   2H4     C   8          2H4         C   8  -2.153   0.523  22.335
   85    H5     C   8           H5         C   8  -5.427  -1.006  21.655
   86    H6     C   8           H6         C   8  -6.473  -2.412  23.360
   87   1H5*    U   9          1H5*        U   9  -7.892   1.507  29.500
   88   2H5*    U   9          2H5*        U   9  -7.328   1.373  27.829
   89    H4*    U   9           H4*        U   9  -5.620   0.889  30.312
   90    H3*    U   9           H3*        U   9  -5.993   3.212  28.431
   91    H2*    U   9          1H2*        U   9  -3.695   3.740  28.514
   92   2HO*    U   9          2HO*        U   9  -3.597   2.996  30.893
   93    H1*    U   9           H1*        U   9  -2.819   1.173  28.169
   94    H3     U   9           H3         U   9  -2.339   3.575  24.243
   95    H5     U   9           H5         U   9  -5.953   1.519  23.921
   96    H6     U   9           H6         U   9  -5.809   0.923  26.271
   97   1H5*    C  10          1H5*        C  10  -3.359   4.622  31.903
   98   2H5*    C  10          2H5*        C  10  -4.259   6.003  32.542
   99    H4*    C  10           H4*        C  10  -1.891   6.528  32.396
  100    H3*    C  10           H3*        C  10  -3.704   8.025  30.485
  101    H2*    C  10          1H2*        C  10  -1.822   9.422  30.005
  102   2HO*    C  10          2HO*        C  10  -1.118   9.280  32.386
  103    H1*    C  10           H1*        C  10  -0.006   7.325  29.943
  104   1H4     C  10          1H4         C  10  -2.452   7.190  23.888
  105   2H4     C  10          2H4         C  10  -1.116   8.347  23.942
  106    H5     C  10           H5         C  10  -3.300   6.170  25.941
  107    H6     C  10           H6         C  10  -3.015   6.082  28.370
  108   1H5*    U  11          1H5*        U  11  -2.072  11.386  32.046
  109   2H5*    U  11          2H5*        U  11  -3.407  12.441  32.546
  110    H4*    U  11           H4*        U  11  -2.104  13.598  30.877
  111    H3*    U  11           H3*        U  11  -4.761  12.583  29.807
  112    H2*    U  11          1H2*        U  11  -4.305  13.777  27.823
  113   2HO*    U  11          2HO*        U  11  -3.364  15.637  29.149
  114    H1*    U  11           H1*        U  11  -1.577  13.175  27.797
  115    H3     U  11           H3         U  11  -3.052  11.022  24.087
  116    H5     U  11           H5         U  11  -4.724   8.796  27.218
  117    H6     U  11           H6         U  11  -3.791  10.399  28.815
  118   1H5*    A  12          1H5*        A  12  -8.656  15.562  30.309
  119   2H5*    A  12          2H5*        A  12  -8.432  13.970  29.571
  120    H4*    A  12           H4*        A  12  -9.578  15.427  28.007
  121    H3*    A  12           H3*        A  12  -6.708  14.824  27.272
  122    H2*    A  12          1H2*        A  12  -7.150  15.853  25.162
  123   2HO*    A  12          2HO*        A  12  -9.394  14.984  25.034
  124    H1*    A  12           H1*        A  12  -8.415  18.018  26.244
  125    H8     A  12           H8         A  12  -5.708  17.127  28.718
  126   1H6     A  12          1H6         A  12  -2.121  19.867  26.565
  127   2H6     A  12          2H6         A  12  -2.110  20.658  24.981
  128    H2     A  12           H2         A  12  -5.757  19.849  22.873
  129   1H5*    A  13          1H5*        A  13  -5.306  12.127  23.927
  130   2H5*    A  13          2H5*        A  13  -4.822  13.229  25.243
  131    H4*    A  13           H4*        A  13  -5.970  14.305  22.672
  132    H3*    A  13           H3*        A  13  -3.063  13.677  23.294
  133    H2*    A  13          1H2*        A  13  -2.595  15.448  21.716
  134   2HO*    A  13          2HO*        A  13  -4.253  16.480  20.536
  135    H1*    A  13           H1*        A  13  -4.444  17.128  22.884
  136    H8     A  13           H8         A  13  -3.049  15.443  25.884
  137   1H6     A  13          1H6         A  13   1.282  17.941  26.105
  138   2H6     A  13          2H6         A  13   2.053  18.960  24.882
  139    H2     A  13           H2         A  13  -0.379  19.151  21.343
  140   1H5*    C  14          1H5*        C  14  -2.733  14.243  19.416
  141   2H5*    C  14          2H5*        C  14  -1.731  13.012  18.639
  142    H4*    C  14           H4*        C  14  -0.905  15.313  18.262
  143    H3*    C  14           H3*        C  14   0.869  13.427  19.773
  144    H2*    C  14          1H2*        C  14   2.578  15.100  19.763
  145   2HO*    C  14          2HO*        C  14   1.892  15.846  17.518
  146    H1*    C  14           H1*        C  14   0.937  17.152  20.467
  147   1H4     C  14          1H4         C  14   1.958  13.836  26.058
  148   2H4     C  14          2H4         C  14   3.370  14.860  25.795
  149    H5     C  14           H5         C  14   0.185  13.646  24.378
  150    H6     C  14           H6         C  14  -0.518  14.377  22.213
  151   1H5*    C  15          1H5*        C  15   3.888  14.007  18.247
  152   2H5*    C  15          2H5*        C  15   4.748  12.581  17.652
  153    H4*    C  15           H4*        C  15   5.818  13.434  19.680
  154    H3*    C  15           H3*        C  15   4.361  10.816  20.122
  155    H2*    C  15          1H2*        C  15   5.393  10.791  22.309
  156   2HO*    C  15          2HO*        C  15   7.460  11.746  21.614
  157    H1*    C  15           H1*        C  15   4.740  13.363  22.873
  158   1H4     C  15          1H4         C  15  -0.978  10.464  23.410
  159   2H4     C  15          2H4         C  15  -0.183   9.977  24.938
  160    H5     C  15           H5         C  15   0.149  11.030  21.481
  161    H6     C  15           H6         C  15   2.163  12.084  20.678
  162   1H5*    G  16          1H5*        G  16   7.224   7.077  21.638
  163   2H5*    G  16          2H5*        G  16   5.505   7.330  21.277
  164    H4*    G  16           H4*        G  16   6.851   8.528  23.730
  165    H3*    G  16           H3*        G  16   5.454   5.870  23.350
  166    H2*    G  16          1H2*        G  16   4.692   6.056  25.627
  167   2HO*    G  16          2HO*        G  16   6.767   7.250  26.272
  168    H1*    G  16           H1*        G  16   3.780   8.610  25.295
  169    H8     G  16           H8         G  16   2.994   7.595  21.915
  170    H1     G  16           H1         G  16  -0.592   4.279  26.130
  171   1H2     G  16          1H2         G  16   1.750   5.464  28.378
  172   2H2     G  16          2H2         G  16   0.284   4.511  28.170
  173   1H5*    G  17          1H5*        G  17   6.673   5.067  26.988
  174   2H5*    G  17          2H5*        G  17   7.736   3.652  27.003
  175    H4*    G  17           H4*        G  17   5.913   3.344  28.583
  176    H3*    G  17           H3*        G  17   5.734   1.585  26.118
  177    H2*    G  17          1H2*        G  17   3.951   0.438  27.240
  178   2HO*    G  17          2HO*        G  17   4.984   0.531  29.396
  179    H1*    G  17           H1*        G  17   2.747   2.739  28.151
  180    H8     G  17           H8         G  17   3.919   3.497  24.656
  181    H1     G  17           H1         G  17  -1.464  -0.053  24.908
  182   1H2     G  17          1H2         G  17  -1.627  -0.950  26.927
  183   2H2     G  17          2H2         G  17  -0.465  -0.528  28.194
  184   1H5*    G  18          1H5*        G  18   6.357  -3.148  26.596
  185   2H5*    G  18          2H5*        G  18   5.807  -1.951  25.401
  186    H4*    G  18           H4*        G  18   4.036  -3.016  27.637
  187    H3*    G  18           H3*        G  18   4.286  -3.890  24.732
  188    H2*    G  18          1H2*        G  18   1.982  -4.489  24.887
  189   2HO*    G  18          2HO*        G  18   2.373  -5.285  27.223
  190    H1*    G  18           H1*        G  18   1.293  -2.247  26.409
  191    H8     G  18           H8         G  18   3.279  -0.660  23.781
  192    H1     G  18           H1         G  18  -2.033  -3.397  21.344
  193   1H2     G  18          1H2         G  18  -3.005  -4.626  22.896
  194   2H2     G  18          2H2         G  18  -2.175  -4.848  24.443
  195   1H5*    U  19          1H5*        U  19   2.226  -6.558  24.808
  196   2H5*    U  19          2H5*        U  19   2.978  -7.789  25.827
  197    H4*    U  19           H4*        U  19   2.995  -9.394  24.038
  198    H3*    U  19           H3*        U  19   0.714  -8.289  25.178
  199    H2*    U  19          1H2*        U  19  -0.777  -8.676  22.938
  200   2HO*    U  19          2HO*        U  19  -1.040  -6.460  23.177
  201    H1*    U  19           H1*        U  19   0.880  -8.853  21.383
  202    H3     U  19           H3         U  19  -1.201  -5.634  19.003
  203    H5     U  19           H5         U  19   2.111  -3.781  20.855
  204    H6     U  19           H6         U  19   2.441  -5.714  22.157
  205   1H5*    G  20          2H5*        G  20  -0.453 -13.919  23.805
  206   2H5*    G  20          1H5*        G  20   0.184 -12.440  23.107
  207    H4*    G  20           H4*        G  20  -2.798 -12.851  23.648
  208    H3*    G  20           H3*        G  20  -1.069 -13.716  21.325
  209    H2*    G  20          1H2*        G  20  -2.868 -13.260  19.821
  210   2HO*    G  20          2HO*        G  20  -4.556 -14.061  21.354
  211    H1*    G  20           H1*        G  20  -3.508 -10.844  20.941
  212    H8     G  20           H8         G  20   0.176 -10.890  21.335
  213    H1     G  20           H1         G  20  -1.871  -9.169  15.452
  214   1H2     G  20          1H2         G  20  -3.905  -9.959  15.126
  215   2H2     G  20          2H2         G  20  -4.744 -10.784  16.444
  216   1H5*    A  21          1H5*        A  21  -1.572 -17.317  18.775
  217   2H5*    A  21          2H5*        A  21  -0.840 -15.706  18.883
  218    H4*    A  21           H4*        A  21  -3.510 -16.226  17.509
  219    H3*    A  21           H3*        A  21  -0.687 -16.179  16.410
  220    H2*    A  21          1H2*        A  21  -1.647 -15.403  14.342
  221   2HO*    A  21          2HO*        A  21  -3.577 -16.724  14.386
  222    H1*    A  21           H1*        A  21  -3.266 -13.562  15.600
  223    H8     A  21           H8         A  21   0.053 -13.720  17.449
  224   1H6     A  21          1H6         A  21   1.886  -9.527  13.155
  225   2H6     A  21          2H6         A  21   2.361 -10.314  14.657
  226    H2     A  21           H2         A  21  -1.935 -11.142  11.885
  227   1H5*    G  22          1H5*        G  22  -0.501 -19.148  12.264
  228   2H5*    G  22          2H5*        G  22   0.140 -17.550  12.688
  229    H4*    G  22           H4*        G  22  -2.410 -18.045  11.087
  230    H3*    G  22           H3*        G  22   0.448 -17.470  10.318
  231    H2*    G  22          1H2*        G  22  -0.265 -16.043   8.554
  232   2HO*    G  22          2HO*        G  22  -2.236 -17.517   8.164
  233    H1*    G  22           H1*        G  22  -2.093 -14.669  10.023
  234    H8     G  22           H8         G  22   0.148 -15.118  12.830
  235    H1     G  22           H1         G  22   2.701 -11.189   8.412
  236   1H2     G  22          1H2         G  22   0.431 -12.724   6.342
  237   2H2     G  22          2H2         G  22   1.735 -11.546   6.468
  238   1H5*    C  23          1H5*        C  23  -0.489 -18.069   6.583
  239   2H5*    C  23          2H5*        C  23   0.475 -19.380   5.885
  240    H4*    C  23           H4*        C  23   0.887 -17.360   4.636
  241    H3*    C  23           H3*        C  23   3.211 -18.096   6.437
  242    H2*    C  23          1H2*        C  23   4.445 -16.366   5.295
  243   2HO*    C  23          2HO*        C  23   3.219 -16.864   3.184
  244    H1*    C  23           H1*        C  23   2.412 -14.542   5.472
  245   1H4     C  23          1H4         C  23   4.821 -14.441  11.560
  246   2H4     C  23          2H4         C  23   5.736 -13.294  10.570
  247    H5     C  23           H5         C  23   3.239 -15.999  10.541
  248    H6     C  23           H6         C  23   2.169 -16.622   8.449
  249   1H5*    C  24          1H5*        C  24   5.089 -17.681   2.688
  250   2H5*    C  24          2H5*        C  24   6.184 -19.046   2.431
  251    H4*    C  24           H4*        C  24   7.387 -16.937   2.205
  252    H3*    C  24           H3*        C  24   8.113 -18.482   4.719
  253    H2*    C  24          1H2*        C  24   9.881 -16.915   5.005
  254   2HO*    C  24          2HO*        C  24  10.382 -16.829   2.641
  255    H1*    C  24           H1*        C  24   8.331 -14.721   4.271
  256   1H4     C  24          1H4         C  24   7.355 -15.993  10.684
  257   2H4     C  24          2H4         C  24   8.610 -14.757  10.514
  258    H5     C  24           H5         C  24   6.402 -17.100   8.721
  259    H6     C  24           H6         C  24   6.470 -17.192   6.275
  260   1H    GLU   8          1H        GLU   8   1.380  12.313  14.297
  261   2H    GLU   8          2H        GLU   8  -0.193  12.716  14.088
  262   3H    GLU   8          3H        GLU   8   0.980  13.837  13.860
  263    HA   GLU   8           HA       GLU   8   0.185  13.164  11.729
  264   1HB   GLU   8          2HB       GLU   8   2.917  11.956  12.333
  265   2HB   GLU   8          1HB       GLU   8   2.277  12.254  10.719
  266   1HG   GLU   8          2HG       GLU   8   2.875  14.392  12.805
  267   2HG   GLU   8          1HG       GLU   8   3.869  13.989  11.412
  268    H    SER   9           H        SER   9  -0.166  11.549  10.146
  269    HA   SER   9           HA       SER   9  -1.183   9.667   9.395
  270   1HB   SER   9          2HB       SER   9   1.121   8.394  10.894
  271   2HB   SER   9          1HB       SER   9   0.209   7.670   9.554
  272    HG   SER   9           HG       SER   9   2.146   8.678   8.839
  273    H    LYS  10           H        LYS  10  -2.576  10.496  11.631
  274    HA   LYS  10           HA       LYS  10  -3.231   8.380  13.463
  275   1HB   LYS  10          2HB       LYS  10  -5.127   9.769  14.128
  276   2HB   LYS  10          1HB       LYS  10  -3.640  10.676  14.003
  277   1HG   LYS  10          2HG       LYS  10  -5.249  12.108  13.168
  278   2HG   LYS  10          1HG       LYS  10  -4.444  11.521  11.717
  279   1HD   LYS  10          2HD       LYS  10  -6.343  10.021  11.243
  280   2HD   LYS  10          1HD       LYS  10  -7.093  10.443  12.800
  281   1HE   LYS  10          2HE       LYS  10  -7.254  12.811  12.059
  282   2HE   LYS  10          1HE       LYS  10  -6.504  12.382  10.517
  283   1HZ   LYS  10          1HZ       LYS  10  -8.412  10.928  10.069
  284   2HZ   LYS  10          2HZ       LYS  10  -8.924  12.454  10.336
  285   3HZ   LYS  10          3HZ       LYS  10  -9.105  11.325  11.499
  286    H    GLY  11           H        GLY  11  -5.398   7.533  13.738
  287   1HA   GLY  11          2HA       GLY  11  -7.461   6.594  12.675
  288   2HA   GLY  11          1HA       GLY  11  -6.508   6.272  11.231
  289    H    THR  12           H        THR  12  -4.695   5.633  14.017
  290    HA   THR  12           HA       THR  12  -4.683   2.728  13.597
  291    HB   THR  12           HB       THR  12  -2.915   2.713  15.259
  292    HG1  THR  12           HG1      THR  12  -3.342   5.484  15.632
  293   1HG2  THR  12          1HG2      THR  12  -2.489   5.185  13.532
  294   2HG2  THR  12          2HG2      THR  12  -2.242   3.503  13.007
  295   3HG2  THR  12          3HG2      THR  12  -1.251   4.184  14.311
  296    H    ALA  13           H        ALA  13  -4.578   1.330  15.674
  297    HA   ALA  13           HA       ALA  13  -6.976   1.317  17.207
  298   1HB   ALA  13          1HB       ALA  13  -5.759  -0.288  18.613
  299   2HB   ALA  13          2HB       ALA  13  -4.225   0.189  17.853
  300   3HB   ALA  13          3HB       ALA  13  -5.485  -0.615  16.887
  301    H    LYS  14           H        LYS  14  -3.886   2.989  17.764
  302    HA   LYS  14           HA       LYS  14  -4.546   3.867  20.472
  303   1HB   LYS  14          2HB       LYS  14  -2.391   4.953  18.612
  304   2HB   LYS  14          1HB       LYS  14  -2.531   5.189  20.360
  305   1HG   LYS  14          2HG       LYS  14  -2.386   2.631  20.584
  306   2HG   LYS  14          1HG       LYS  14  -1.926   2.600  18.875
  307   1HD   LYS  14          2HD       LYS  14   0.023   4.109  19.439
  308   2HD   LYS  14          1HD       LYS  14  -0.443   3.975  21.150
  309   1HE   LYS  14          2HE       LYS  14  -0.338   1.424  20.825
  310   2HE   LYS  14          1HE       LYS  14   0.431   1.735  19.270
  311   1HZ   LYS  14          1HZ       LYS  14   2.053   1.365  21.036
  312   2HZ   LYS  14          2HZ       LYS  14   1.471   2.592  21.923
  313   3HZ   LYS  14          3HZ       LYS  14   2.212   2.905  20.490
  314    H    SER  15           H        SER  15  -4.703   5.368  17.260
  315    HA   SER  15           HA       SER  15  -5.800   7.894  18.047
  316   1HB   SER  15          2HB       SER  15  -6.555   6.412  15.511
  317   2HB   SER  15          1HB       SER  15  -6.494   8.156  15.786
  318    HG   SER  15           HG       SER  15  -4.160   7.837  16.115
  319    H    ARG  16           H        ARG  16  -7.397   4.837  17.168
  320    HA   ARG  16           HA       ARG  16 -10.122   5.605  17.611
  321   1HB   ARG  16          2HB       ARG  16  -9.443   3.652  16.327
  322   2HB   ARG  16          1HB       ARG  16  -8.713   2.915  17.754
  323   1HG   ARG  16          2HG       ARG  16 -10.877   2.587  18.794
  324   2HG   ARG  16          1HG       ARG  16 -11.677   3.573  17.560
  325   1HD   ARG  16          2HD       ARG  16 -12.048   1.171  17.193
  326   2HD   ARG  16          1HD       ARG  16 -11.199   1.925  15.836
  327    HE   ARG  16           HE       ARG  16  -9.117   0.956  17.326
  328   1HH1  ARG  16          1HH1      ARG  16 -11.953  -0.708  16.003
  329   2HH1  ARG  16          2HH1      ARG  16 -11.018  -2.208  15.935
  330   1HH2  ARG  16          1HH2      ARG  16  -8.135  -1.078  17.164
  331   2HH2  ARG  16          2HH2      ARG  16  -9.127  -2.370  16.481
  332    H    TYR  17           H        TYR  17  -7.748   4.180  19.913
  333    HA   TYR  17           HA       TYR  17  -9.571   4.218  22.129
  334   1HB   TYR  17          2HB       TYR  17  -7.473   2.892  22.066
  335   2HB   TYR  17          1HB       TYR  17  -6.541   4.387  22.206
  336    HD1  TYR  17           HD1      TYR  17  -6.014   5.189  24.395
  337    HD2  TYR  17           HD2      TYR  17  -9.340   2.502  23.843
  338    HE1  TYR  17           HE1      TYR  17  -6.417   5.179  26.848
  339    HE2  TYR  17           HE2      TYR  17  -9.785   2.551  26.306
  340    HH   TYR  17           HH       TYR  17  -7.832   4.550  28.529
  341    H    LYS  18           H        LYS  18  -7.206   6.691  21.034
  342    HA   LYS  18           HA       LYS  18  -7.780   8.679  23.006
  343   1HB   LYS  18          2HB       LYS  18  -5.910   8.802  21.472
  344   2HB   LYS  18          1HB       LYS  18  -6.964   8.997  20.085
  345   1HG   LYS  18          2HG       LYS  18  -7.041  10.987  22.385
  346   2HG   LYS  18          1HG       LYS  18  -5.770  11.032  21.170
  347   1HD   LYS  18          2HD       LYS  18  -7.546  11.203  19.365
  348   2HD   LYS  18          1HD       LYS  18  -8.747  11.369  20.647
  349   1HE   LYS  18          2HE       LYS  18  -8.257  13.571  19.955
  350   2HE   LYS  18          1HE       LYS  18  -7.477  13.353  21.524
  351   1HZ   LYS  18          1HZ       LYS  18  -6.118  13.227  18.874
  352   2HZ   LYS  18          2HZ       LYS  18  -5.373  12.955  20.314
  353   3HZ   LYS  18          3HZ       LYS  18  -5.952  14.425  19.987
  354    H    ALA  19           H        ALA  19  -9.458   8.076  19.890
  355    HA   ALA  19           HA       ALA  19 -11.511  10.020  20.263
  356   1HB   ALA  19          1HB       ALA  19 -11.031   8.908  18.116
  357   2HB   ALA  19          2HB       ALA  19 -12.742   8.763  18.568
  358   3HB   ALA  19          3HB       ALA  19 -11.658   7.374  18.760
  359    H    ARG  20           H        ARG  20 -11.495   6.563  21.224
  360    HA   ARG  20           HA       ARG  20 -14.027   6.360  22.443
  361   1HB   ARG  20          2HB       ARG  20 -12.331   4.534  21.973
  362   2HB   ARG  20          1HB       ARG  20 -11.472   5.025  23.434
  363   1HG   ARG  20          2HG       ARG  20 -13.547   4.546  24.763
  364   2HG   ARG  20          1HG       ARG  20 -14.311   3.937  23.288
  365   1HD   ARG  20          2HD       ARG  20 -11.761   2.862  24.577
  366   2HD   ARG  20          1HD       ARG  20 -13.363   2.126  24.707
  367    HE   ARG  20           HE       ARG  20 -12.965   2.242  21.981
  368   1HH1  ARG  20          1HH1      ARG  20 -11.087   0.664  24.557
  369   2HH1  ARG  20          2HH1      ARG  20 -10.475  -0.485  23.371
  370   1HH2  ARG  20          1HH2      ARG  20 -12.067   0.637  20.674
  371   2HH2  ARG  20          2HH2      ARG  20 -10.962  -0.503  21.448
  372    H    ARG  21           H        ARG  21 -11.004   7.384  24.003
  373    HA   ARG  21           HA       ARG  21 -12.123   8.207  26.552
  374   1HB   ARG  21          2HB       ARG  21  -9.601   9.008  25.044
  375   2HB   ARG  21          1HB       ARG  21 -10.045   9.675  26.623
  376   1HG   ARG  21          2HG       ARG  21  -9.955   7.500  27.670
  377   2HG   ARG  21          1HG       ARG  21  -9.689   6.699  26.116
  378   1HD   ARG  21          2HD       ARG  21  -7.631   6.929  27.468
  379   2HD   ARG  21          1HD       ARG  21  -7.491   7.663  25.883
  380    HE   ARG  21           HE       ARG  21  -7.699   9.877  26.905
  381   1HH1  ARG  21          1HH2      ARG  21  -7.042   7.297  29.298
  382   2HH1  ARG  21          2HH2      ARG  21  -6.499   8.507  30.445
  383   1HH2  ARG  21          1HH1      ARG  21  -6.676  11.174  28.395
  384   2HH2  ARG  21          2HH1      ARG  21  -6.386  10.543  30.014
  385    H    ALA  22           H        ALA  22 -11.276  10.206  23.697
  386    HA   ALA  22           HA       ALA  22 -12.118  12.662  24.711
  387   1HB   ALA  22          1HB       ALA  22 -12.121  11.728  21.816
  388   2HB   ALA  22          2HB       ALA  22 -10.727  12.378  22.712
  389   3HB   ALA  22          3HB       ALA  22 -12.125  13.414  22.372
  390    H    GLU  23           H        GLU  23 -14.165  10.287  22.961
  391    HA   GLU  23           HA       GLU  23 -16.555  11.884  22.890
  392   1HB   GLU  23          2HB       GLU  23 -16.087   8.880  22.888
  393   2HB   GLU  23          1HB       GLU  23 -17.693   9.591  22.759
  394   1HG   GLU  23          2HG       GLU  23 -15.422  10.192  20.813
  395   2HG   GLU  23          1HG       GLU  23 -16.643   8.951  20.567
  396    H    LEU  24           H        LEU  24 -15.466   9.504  25.372
  397    HA   LEU  24           HA       LEU  24 -17.690   9.885  27.138
  398   1HB   LEU  24          2HB       LEU  24 -16.133   7.983  27.271
  399   2HB   LEU  24          1HB       LEU  24 -14.810   9.068  27.693
  400    HG   LEU  24           HG       LEU  24 -15.953   9.659  29.822
  401   1HD1  LEU  24          1HD1      LEU  24 -17.850   8.247  30.597
  402   2HD1  LEU  24          2HD1      LEU  24 -17.972   7.531  28.975
  403   3HD1  LEU  24          3HD1      LEU  24 -18.308   9.260  29.226
  404   1HD2  LEU  24          1HD2      LEU  24 -15.606   6.668  29.365
  405   2HD2  LEU  24          2HD2      LEU  24 -15.570   7.505  30.934
  406   3HD2  LEU  24          3HD2      LEU  24 -14.310   7.827  29.733
  407    H    ILE  25           H        ILE  25 -14.573  11.547  26.908
  408    HA   ILE  25           HA       ILE  25 -14.973  13.414  29.076
  409    HB   ILE  25           HB       ILE  25 -13.102  13.285  26.698
  410   1HG1  ILE  25          2HG1      ILE  25 -12.522  13.017  29.686
  411   2HG1  ILE  25          1HG1      ILE  25 -12.949  11.643  28.683
  412   1HG2  ILE  25          1HG2      ILE  25 -13.287  15.674  27.188
  413   2HG2  ILE  25          2HG2      ILE  25 -11.736  15.078  27.727
  414   3HG2  ILE  25          3HG2      ILE  25 -13.018  15.366  28.923
  415   1HD1  ILE  25          1HD1      ILE  25 -10.976  12.130  27.202
  416   2HD1  ILE  25          2HD1      ILE  25 -10.586  11.642  28.863
  417   3HD1  ILE  25          3HD1      ILE  25 -10.467  13.342  28.401
  418    H    ALA  26           H        ALA  26 -16.250  13.422  25.820
  419    HA   ALA  26           HA       ALA  26 -17.143  16.232  26.011
  420   1HB   ALA  26          1HB       ALA  26 -17.824  14.066  23.980
  421   2HB   ALA  26          2HB       ALA  26 -16.516  15.260  23.828
  422   3HB   ALA  26          3HB       ALA  26 -18.207  15.792  23.861
  423    H    GLU  27           H        GLU  27 -18.575  12.964  26.353
  424    HA   GLU  27           HA       GLU  27 -21.276  13.832  26.862
  425   1HB   GLU  27          2HB       GLU  27 -19.788  11.269  27.550
  426   2HB   GLU  27          1HB       GLU  27 -21.492  11.533  27.928
  427   1HG   GLU  27          2HG       GLU  27 -21.972  11.961  25.529
  428   2HG   GLU  27          1HG       GLU  27 -20.295  11.606  25.129
  429    H    ARG  28           H        ARG  28 -18.610  13.134  29.098
  430    HA   ARG  28           HA       ARG  28 -18.293  13.438  31.353
  431   1HB   ARG  28          2HB       ARG  28 -19.903  15.976  30.878
  432   2HB   ARG  28          1HB       ARG  28 -18.776  15.671  32.209
  433   1HG   ARG  28          2HG       ARG  28 -16.943  15.337  30.530
  434   2HG   ARG  28          1HG       ARG  28 -18.079  15.827  29.257
  435   1HD   ARG  28          2HD       ARG  28 -18.365  18.024  30.347
  436   2HD   ARG  28          1HD       ARG  28 -17.212  17.539  31.614
  437    HE   ARG  28           HE       ARG  28 -16.038  17.129  29.037
  438   1HH1  ARG  28          1HH1      ARG  28 -16.810  19.838  31.118
  439   2HH1  ARG  28          2HH1      ARG  28 -15.552  20.837  30.432
  440   1HH2  ARG  28          2HH2      ARG  28 -14.485  18.422  28.213
  441   2HH2  ARG  28          1HH2      ARG  28 -14.264  20.044  28.817
  442    H    ARG  29           H        ARG  29 -20.531  11.809  30.759
  443    HA   ARG  29           HA       ARG  29 -22.096  11.940  33.307
  444   1HB   ARG  29          2HB       ARG  29 -23.418  12.961  31.480
  445   2HB   ARG  29          1HB       ARG  29 -23.267  11.476  30.532
  446   1HG   ARG  29          2HG       ARG  29 -24.518  10.225  32.261
  447   2HG   ARG  29          1HG       ARG  29 -24.604  11.684  33.270
  448   1HD   ARG  29          2HD       ARG  29 -25.897  12.840  31.522
  449   2HD   ARG  29          1HD       ARG  29 -25.784  11.435  30.464
  450    HE   ARG  29           HE       ARG  29 -27.507  11.780  32.835
  451   1HH1  ARG  29          1HH1      ARG  29 -26.348   9.415  30.519
  452   2HH1  ARG  29          2HH1      ARG  29 -27.655   8.314  30.879
  453   1HH2  ARG  29          1HH2      ARG  29 -29.115  10.344  33.231
  454   2HH2  ARG  29          2HH2      ARG  29 -29.168   8.830  32.369
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  15.480 -15.765   6.707
    2   2H5*    G   1          2H5*        G   1  17.052 -15.099   6.220
    3    H4*    G   1           H4*        G   1  15.958 -12.805   6.179
    4    H3*    G   1           H3*        G   1  16.161 -14.572   4.138
    5    H2*    G   1          1H2*        G   1  13.538 -14.548   3.362
    6   2HO*    G   1          2HO*        G   1  14.622 -16.517   3.734
    7    H1*    G   1           H1*        G   1  12.687 -13.199   4.989
    8    H8     G   1           H8         G   1  12.704 -15.045   8.108
    9    H1     G   1           H1         G   1   7.737 -16.665   4.323
   10   1H2     G   1          1H2         G   1   8.203 -16.051   2.239
   11   2H2     G   1          2H2         G   1   9.809 -15.417   1.844
   12   1H5*    G   2          2H5*        G   2  13.536 -10.433   1.597
   13   2H5*    G   2          1H5*        G   2  13.127 -11.144   3.173
   14    H4*    G   2           H4*        G   2  11.659 -11.743   0.561
   15    H3*    G   2           H3*        G   2  10.907  -9.967   2.905
   16    H2*    G   2          1H2*        G   2   8.647 -10.404   2.263
   17   2HO*    G   2          2HO*        G   2   8.912 -10.197  -0.039
   18    H1*    G   2           H1*        G   2   9.180 -13.073   1.611
   19    H8     G   2           H8         G   2  10.637 -12.226   4.999
   20    H1     G   2           H1         G   2   4.384 -13.835   4.976
   21   1H2     G   2          1H2         G   2   3.604 -13.621   2.902
   22   2H2     G   2          2H2         G   2   4.716 -13.200   1.591
   23   1H5*    U   3          1H5*        U   3   7.663  -6.393   1.406
   24   2H5*    U   3          2H5*        U   3   8.033  -7.395   2.815
   25    H4*    U   3           H4*        U   3   6.070  -8.164   0.607
   26    H3*    U   3           H3*        U   3   5.767  -6.970   3.359
   27    H2*    U   3          1H2*        U   3   3.721  -8.177   3.632
   28   2HO*    U   3          2HO*        U   3   2.909  -7.957   1.473
   29    H1*    U   3           H1*        U   3   4.721 -10.544   2.715
   30    H3     U   3           H3         U   3   4.347 -10.806   7.312
   31    H5     U   3           H5         U   3   8.203  -9.394   6.577
   32    H6     U   3           H6         U   3   7.645  -9.130   4.227
   33   1H5*    U   4          1H5*        U   4   1.052  -4.549   2.943
   34   2H5*    U   4          2H5*        U   4   1.873  -5.321   4.305
   35    H4*    U   4           H4*        U   4  -0.180  -6.636   2.467
   36    H3*    U   4           H3*        U   4  -0.188  -5.401   5.212
   37    H2*    U   4          1H2*        U   4  -1.587  -7.076   6.098
   38   2HO*    U   4          2HO*        U   4  -2.996  -7.205   4.188
   39    H1*    U   4           H1*        U   4  -0.368  -9.199   4.913
   40    H3     U   4           H3         U   4   0.761  -9.286   9.375
   41    H5     U   4           H5         U   4   3.883  -7.326   7.412
   42    H6     U   4           H6         U   4   2.519  -7.193   5.405
   43   1H5*    C   5          1H5*        C   5  -4.393  -3.735   6.900
   44   2H5*    C   5          2H5*        C   5  -2.771  -4.221   7.427
   45    H4*    C   5           H4*        C   5  -5.202  -6.065   7.319
   46    H3*    C   5           H3*        C   5  -3.659  -4.684   9.519
   47    H2*    C   5          1H2*        C   5  -4.351  -6.368  11.032
   48   2HO*    C   5          2HO*        C   5  -6.447  -6.926  10.168
   49    H1*    C   5           H1*        C   5  -3.502  -8.313   9.333
   50   1H4     C   5          1H4         C   5   2.167  -5.808  11.485
   51   2H4     C   5          2H4         C   5   1.481  -6.779  12.797
   52    H5     C   5           H5         C   5   0.874  -5.348   9.467
   53    H6     C   5           H6         C   5  -1.237  -5.769   8.344
   54   1H5*    A   6          1H5*        A   6  -8.365  -4.259  12.042
   55   2H5*    A   6          2H5*        A   6  -6.604  -4.127  11.910
   56    H4*    A   6           H4*        A   6  -8.075  -6.609  12.907
   57    H3*    A   6           H3*        A   6  -6.585  -4.379  14.299
   58    H2*    A   6          1H2*        A   6  -6.161  -5.984  16.079
   59   2HO*    A   6          2HO*        A   6  -6.913  -8.111  15.976
   60    H1*    A   6           H1*        A   6  -5.108  -7.731  14.298
   61    H8     A   6           H8         A   6  -4.295  -4.579  12.533
   62   1H6     A   6          1H6         A   6   0.044  -3.612  16.954
   63   2H6     A   6          2H6         A   6  -0.500  -3.077  15.362
   64    H2     A   6           H2         A   6  -2.439  -6.921  18.248
   65   1H5*    C   7          1H5*        C   7  -8.848  -6.411  16.987
   66   2H5*    C   7          2H5*        C   7  -9.805  -5.465  18.133
   67    H4*    C   7           H4*        C   7  -8.379  -7.231  19.222
   68    H3*    C   7           H3*        C   7  -7.904  -4.318  19.870
   69    H2*    C   7          1H2*        C   7  -6.340  -5.007  21.531
   70   2HO*    C   7          2HO*        C   7  -7.493  -6.883  22.293
   71    H1*    C   7           H1*        C   7  -5.081  -6.841  19.944
   72   1H4     C   7          1H4         C   7  -2.517  -1.181  17.861
   73   2H4     C   7          2H4         C   7  -1.757  -1.547  19.411
   74    H5     C   7           H5         C   7  -4.381  -2.494  17.013
   75    H6     C   7           H6         C   7  -5.823  -4.383  17.477
   76   1H5*    C   8          1H5*        C   8  -7.479  -4.702  25.017
   77   2H5*    C   8          2H5*        C   8  -9.078  -3.964  24.880
   78    H4*    C   8           H4*        C   8  -8.137  -2.201  23.423
   79    H3*    C   8           H3*        C   8  -7.297  -0.892  25.049
   80    H2*    C   8          1H2*        C   8  -5.197  -1.353  26.019
   81   2HO*    C   8          2HO*        C   8  -6.034  -3.359  27.102
   82    H1*    C   8           H1*        C   8  -4.349  -3.224  24.212
   83   1H4     C   8          1H4         C   8  -2.832   1.971  20.690
   84   2H4     C   8          2H4         C   8  -1.513   1.683  21.829
   85    H5     C   8           H5         C   8  -4.949   0.796  20.884
   86    H6     C   8           H6         C   8  -6.148  -0.916  22.132
   87   1H5*    U   9          1H5*        U   9  -7.312   1.316  28.755
   88   2H5*    U   9          2H5*        U   9  -7.112   1.327  26.991
   89    H4*    U   9           H4*        U   9  -4.827   0.624  28.876
   90    H3*    U   9           H3*        U   9  -5.682   3.317  27.789
   91    H2*    U   9          1H2*        U   9  -3.366   3.917  27.778
   92   2HO*    U   9          2HO*        U   9  -2.993   2.682  29.872
   93    H1*    U   9           H1*        U   9  -2.532   1.437  26.825
   94    H3     U   9           H3         U   9  -1.553   4.583  23.634
   95    H5     U   9           H5         U   9  -5.492   3.435  22.866
   96    H6     U   9           H6         U   9  -5.537   2.217  24.984
   97   1H5*    C  10          1H5*        C  10  -2.824   4.443  31.189
   98   2H5*    C  10          2H5*        C  10  -3.746   5.688  32.052
   99    H4*    C  10           H4*        C  10  -1.503   6.498  31.549
  100    H3*    C  10           H3*        C  10  -3.759   7.838  30.032
  101    H2*    C  10          1H2*        C  10  -2.166   9.363  29.159
  102   2HO*    C  10          2HO*        C  10  -1.051   9.410  31.384
  103    H1*    C  10           H1*        C  10  -0.112   7.476  28.894
  104   1H4     C  10          1H4         C  10  -3.303   6.958  23.203
  105   2H4     C  10          2H4         C  10  -1.929   8.049  23.025
  106    H5     C  10           H5         C  10  -3.961   6.146  25.422
  107    H6     C  10           H6         C  10  -3.354   6.167  27.797
  108   1H5*    U  11          1H5*        U  11  -2.540  11.537  31.194
  109   2H5*    U  11          2H5*        U  11  -3.985  12.325  31.854
  110    H4*    U  11           H4*        U  11  -3.314  13.537  29.882
  111    H3*    U  11           H3*        U  11  -5.700  11.761  29.306
  112    H2*    U  11          1H2*        U  11  -5.864  12.867  27.220
  113   2HO*    U  11          2HO*        U  11  -5.256  15.011  28.266
  114    H1*    U  11           H1*        U  11  -3.086  12.929  26.847
  115    H3     U  11           H3         U  11  -4.412  10.148  23.527
  116    H5     U  11           H5         U  11  -5.776   8.185  26.958
  117    H6     U  11           H6         U  11  -4.829   9.972  28.322
  118   1H5*    A  12          1H5*        A  12  -9.749  15.185  28.734
  119   2H5*    A  12          2H5*        A  12  -9.450  13.718  27.784
  120    H4*    A  12           H4*        A  12 -10.059  15.517  26.303
  121    H3*    A  12           H3*        A  12  -7.200  14.608  26.152
  122    H2*    A  12          1H2*        A  12  -6.778  16.191  24.440
  123   2HO*    A  12          2HO*        A  12  -8.854  15.788  23.327
  124    H1*    A  12           H1*        A  12  -8.186  18.274  25.511
  125    H8     A  12           H8         A  12  -6.729  16.929  28.610
  126   1H6     A  12          1H6         A  12  -2.269  19.163  28.213
  127   2H6     A  12          2H6         A  12  -1.548  19.989  26.827
  128    H2     A  12           H2         A  12  -4.173  19.812  23.439
  129   1H5*    A  13          1H5*        A  13  -5.565  12.543  22.325
  130   2H5*    A  13          2H5*        A  13  -5.124  13.384  23.828
  131    H4*    A  13           H4*        A  13  -5.562  14.850  21.204
  132    H3*    A  13           H3*        A  13  -3.063  13.647  22.423
  133    H2*    A  13          1H2*        A  13  -1.834  15.507  21.540
  134   2HO*    A  13          2HO*        A  13  -2.951  15.680  19.496
  135    H1*    A  13           H1*        A  13  -3.640  17.387  22.337
  136    H8     A  13           H8         A  13  -3.700  14.886  25.140
  137   1H6     A  13          1H6         A  13   0.253  16.729  27.590
  138   2H6     A  13          2H6         A  13   1.468  17.893  27.046
  139    H2     A  13           H2         A  13   0.687  19.092  22.996
  140   1H5*    C  14          1H5*        C  14   0.369  13.117  18.545
  141   2H5*    C  14          2H5*        C  14   0.420  13.104  20.312
  142    H4*    C  14           H4*        C  14   0.682  15.567  18.532
  143    H3*    C  14           H3*        C  14   2.514  13.950  20.315
  144    H2*    C  14          1H2*        C  14   3.689  15.836  21.008
  145   2HO*    C  14          2HO*        C  14   3.459  16.921  18.826
  146    H1*    C  14           H1*        C  14   1.470  17.311  21.553
  147   1H4     C  14          1H4         C  14   1.249  13.137  26.579
  148   2H4     C  14          2H4         C  14   2.605  14.220  26.899
  149    H5     C  14           H5         C  14   0.057  13.189  24.472
  150    H6     C  14           H6         C  14  -0.013  14.196  22.274
  151   1H5*    C  15          1H5*        C  15   5.444  14.659  19.872
  152   2H5*    C  15          2H5*        C  15   6.587  13.396  19.393
  153    H4*    C  15           H4*        C  15   6.685  13.835  21.819
  154    H3*    C  15           H3*        C  15   5.505  11.141  21.092
  155    H2*    C  15          1H2*        C  15   5.575  10.638  23.433
  156   2HO*    C  15          2HO*        C  15   7.605  11.651  23.942
  157    H1*    C  15           H1*        C  15   4.572  13.066  24.210
  158   1H4     C  15          1H4         C  15  -0.936  10.421  22.354
  159   2H4     C  15          2H4         C  15  -0.690   9.778  24.004
  160    H5     C  15           H5         C  15   0.887  10.989  20.954
  161    H6     C  15           H6         C  15   3.099  12.007  21.021
  162   1H5*    G  16          1H5*        G  16   8.564   7.581  23.323
  163   2H5*    G  16          2H5*        G  16   6.861   7.742  22.858
  164    H4*    G  16           H4*        G  16   8.008   8.668  25.527
  165    H3*    G  16           H3*        G  16   6.647   6.128  24.631
  166    H2*    G  16          1H2*        G  16   5.399   6.013  26.649
  167   2HO*    G  16          2HO*        G  16   7.350   6.980  27.882
  168    H1*    G  16           H1*        G  16   4.640   8.632  26.666
  169    H8     G  16           H8         G  16   4.542   8.305  23.046
  170    H1     G  16           H1         G  16  -0.090   4.796  25.840
  171   1H2     G  16          1H2         G  16   1.842   5.289  28.656
  172   2H2     G  16          2H2         G  16   0.364   4.590  28.011
  173   1H5*    G  17          1H5*        G  17   7.238   4.580  28.123
  174   2H5*    G  17          2H5*        G  17   8.249   3.126  28.045
  175    H4*    G  17           H4*        G  17   6.045   2.618  29.022
  176    H3*    G  17           H3*        G  17   6.701   1.428  26.325
  177    H2*    G  17          1H2*        G  17   4.393   0.421  27.980
  178   2HO*    G  17          2HO*        G  17   4.916  -0.624  26.094
  179    H1*    G  17           H1*        G  17   3.267   2.316  27.969
  180    H8     G  17           H8         G  17   4.554   3.916  24.789
  181    H1     G  17           H1         G  17  -0.892   0.523  24.043
  182   1H2     G  17          1H2         G  17  -1.279  -0.627  25.876
  183   2H2     G  17          2H2         G  17  -0.249  -0.388  27.291
  184   1H5*    G  18          1H5*        G  18   4.820  -1.584  28.833
  185   2H5*    G  18          2H5*        G  18   5.614  -3.153  28.704
  186    H4*    G  18           H4*        G  18   3.180  -3.281  28.385
  187    H3*    G  18           H3*        G  18   4.795  -4.018  25.946
  188    H2*    G  18          1H2*        G  18   2.767  -4.605  24.918
  189   2HO*    G  18          2HO*        G  18   1.980  -5.949  26.653
  190    H1*    G  18           H1*        G  18   1.186  -2.772  26.426
  191    H8     G  18           H8         G  18   3.585  -0.946  24.159
  192    H1     G  18           H1         G  18  -1.885  -3.022  21.441
  193   1H2     G  18          1H2         G  18  -2.687  -4.692  22.702
  194   2H2     G  18          2H2         G  18  -1.944  -5.020  24.272
  195   1H5*    U  19          1H5*        U  19   2.174  -8.763  25.207
  196   2H5*    U  19          2H5*        U  19   3.922  -9.039  25.282
  197    H4*    U  19           H4*        U  19   4.213  -6.982  23.865
  198    H3*    U  19           H3*        U  19   4.294  -7.999  21.980
  199    H2*    U  19          1H2*        U  19   1.498  -9.105  21.960
  200   2HO*    U  19          2HO*        U  19   3.171  -8.673  20.202
  201    H1*    U  19           H1*        U  19   0.478  -7.297  22.779
  202    H3     U  19           H3         U  19  -0.361  -5.071  18.808
  203    H5     U  19           H5         U  19   2.846  -3.024  20.605
  204    H6     U  19           H6         U  19   2.935  -4.715  22.312
  205   1H5*    G  20          1H5*        G  20   1.373 -11.344  22.652
  206   2H5*    G  20          2H5*        G  20   1.810 -12.897  21.928
  207    H4*    G  20           H4*        G  20  -0.561 -12.242  21.561
  208    H3*    G  20           H3*        G  20   1.116 -12.473  19.055
  209    H2*    G  20          1H2*        G  20  -1.004 -12.257  17.858
  210   2HO*    G  20          2HO*        G  20  -2.191 -13.381  19.771
  211    H1*    G  20           H1*        G  20  -1.747 -10.056  19.237
  212    H8     G  20           H8         G  20   2.017  -9.983  19.096
  213    H1     G  20           H1         G  20  -0.771  -8.097  13.609
  214   1H2     G  20          1H2         G  20  -2.826  -8.896  13.543
  215   2H2     G  20          2H2         G  20  -3.526  -9.673  14.976
  216   1H5*    A  21          1H5*        A  21  -2.351 -14.724  18.277
  217   2H5*    A  21          2H5*        A  21  -1.963 -16.247  17.478
  218    H4*    A  21           H4*        A  21  -3.631 -14.896  16.242
  219    H3*    A  21           H3*        A  21  -0.981 -15.354  14.859
  220    H2*    A  21          1H2*        A  21  -2.026 -14.431  12.892
  221   2HO*    A  21          2HO*        A  21  -4.123 -15.366  13.129
  222    H1*    A  21           H1*        A  21  -3.140 -12.318  14.221
  223    H8     A  21           H8         A  21   0.209 -12.915  15.855
  224   1H6     A  21          1H6         A  21   2.480  -9.592  11.051
  225   2H6     A  21          2H6         A  21   2.896 -10.292  12.615
  226    H2     A  21           H2         A  21  -1.650 -10.575  10.140
  227   1H5*    G  22          1H5*        G  22  -2.575 -18.191  10.644
  228   2H5*    G  22          2H5*        G  22  -1.330 -16.951  10.892
  229    H4*    G  22           H4*        G  22  -4.210 -16.350  10.093
  230    H3*    G  22           H3*        G  22  -1.690 -16.813   8.504
  231    H2*    G  22          1H2*        G  22  -2.216 -15.033   7.026
  232   2HO*    G  22          2HO*        G  22  -4.635 -15.630   7.221
  233    H1*    G  22           H1*        G  22  -2.967 -13.246   8.938
  234    H8     G  22           H8         G  22  -0.376 -14.647  11.004
  235    H1     G  22           H1         G  22   2.126 -11.374   6.041
  236   1H2     G  22          1H2         G  22   0.636 -11.354   4.381
  237   2H2     G  22          2H2         G  22  -0.998 -11.948   4.674
  238   1H5*    C  23          1H5*        C  23  -3.948 -16.794   5.283
  239   2H5*    C  23          2H5*        C  23  -3.703 -18.228   4.273
  240    H4*    C  23           H4*        C  23  -3.031 -16.222   3.067
  241    H3*    C  23           H3*        C  23  -0.687 -17.941   3.924
  242    H2*    C  23          1H2*        C  23   0.677 -16.484   2.560
  243   2HO*    C  23          2HO*        C  23  -1.224 -16.204   0.965
  244    H1*    C  23           H1*        C  23  -0.462 -14.197   3.528
  245   1H4     C  23          1H4         C  23   3.492 -15.752   8.491
  246   2H4     C  23          2H4         C  23   4.382 -14.730   7.356
  247    H5     C  23           H5         C  23   1.311 -16.674   7.920
  248    H6     C  23           H6         C  23  -0.462 -16.644   6.247
  249   1H5*    C  24          1H5*        C  24   0.060 -17.400  -0.181
  250   2H5*    C  24          2H5*        C  24   0.499 -18.951  -0.907
  251    H4*    C  24           H4*        C  24   2.239 -17.296  -1.328
  252    H3*    C  24           H3*        C  24   3.056 -19.459   0.643
  253    H2*    C  24          1H2*        C  24   5.265 -18.582   0.491
  254   2HO*    C  24          2HO*        C  24   5.089 -18.138  -1.879
  255    H1*    C  24           H1*        C  24   4.454 -15.937   0.595
  256   1H4     C  24          1H4         C  24   4.643 -18.210   6.792
  257   2H4     C  24          2H4         C  24   6.219 -17.515   6.379
  258    H5     C  24           H5         C  24   2.882 -18.411   5.109
  259    H6     C  24           H6         C  24   2.336 -18.005   2.763
  260   1H    GLU   8          1H        GLU   8  -9.975   9.900   8.722
  261   2H    GLU   8          2H        GLU   8 -10.886  11.259   8.801
  262   3H    GLU   8          3H        GLU   8 -11.495   9.833   9.347
  263    HA   GLU   8           HA       GLU   8  -9.238  11.309  10.512
  264   1HB   GLU   8          2HB       GLU   8 -10.954  11.142  12.584
  265   2HB   GLU   8          1HB       GLU   8 -10.744  12.517  11.527
  266   1HG   GLU   8          2HG       GLU   8 -13.068  12.208  11.913
  267   2HG   GLU   8          1HG       GLU   8 -12.736  11.899  10.219
  268    H    SER   9           H        SER   9 -11.419   8.548  11.359
  269    HA   SER   9           HA       SER   9  -9.525   7.340  13.159
  270   1HB   SER   9          2HB       SER   9 -11.957   6.984  13.282
  271   2HB   SER   9          1HB       SER   9 -11.934   6.184  11.697
  272    HG   SER   9           HG       SER   9 -11.866   4.724  13.505
  273    H    LYS  10           H        LYS  10  -8.035   5.872  12.846
  274    HA   LYS  10           HA       LYS  10  -7.150   4.916  10.195
  275   1HB   LYS  10          2HB       LYS  10  -5.651   5.474  12.148
  276   2HB   LYS  10          1HB       LYS  10  -6.248   4.030  12.970
  277   1HG   LYS  10          2HG       LYS  10  -5.321   2.588  11.249
  278   2HG   LYS  10          1HG       LYS  10  -4.889   3.969  10.237
  279   1HD   LYS  10          2HD       LYS  10  -3.754   3.381  13.009
  280   2HD   LYS  10          1HD       LYS  10  -2.972   2.918  11.503
  281   1HE   LYS  10          2HE       LYS  10  -3.569   5.792  12.348
  282   2HE   LYS  10          1HE       LYS  10  -2.020   4.975  12.544
  283   1HZ   LYS  10          1HZ       LYS  10  -1.901   4.732  10.121
  284   2HZ   LYS  10          2HZ       LYS  10  -2.023   6.304  10.533
  285   3HZ   LYS  10          3HZ       LYS  10  -3.320   5.523   9.930
  286    H    GLY  11           H        GLY  11  -9.540   3.929  12.406
  287   1HA   GLY  11          2HA       GLY  11 -11.089   2.201  12.205
  288   2HA   GLY  11          1HA       GLY  11 -10.122   1.451  10.939
  289    H    THR  12           H        THR  12  -8.169   2.110  13.641
  290    HA   THR  12           HA       THR  12  -8.247  -0.732  14.518
  291    HB   THR  12           HB       THR  12  -5.855  -0.276  15.195
  292    HG1  THR  12           HG1      THR  12  -4.911   1.546  14.219
  293   1HG2  THR  12          1HG2      THR  12  -6.399  -1.388  13.032
  294   2HG2  THR  12          2HG2      THR  12  -4.932  -0.399  12.937
  295   3HG2  THR  12          3HG2      THR  12  -6.451   0.203  12.239
  296    H    ALA  13           H        ALA  13  -7.362  -1.134  16.686
  297    HA   ALA  13           HA       ALA  13  -8.926  -0.215  18.717
  298   1HB   ALA  13          1HB       ALA  13  -6.068  -1.193  19.081
  299   2HB   ALA  13          2HB       ALA  13  -7.445  -2.246  18.698
  300   3HB   ALA  13          3HB       ALA  13  -7.422  -1.351  20.224
  301    H    LYS  14           H        LYS  14  -5.830   1.282  17.823
  302    HA   LYS  14           HA       LYS  14  -5.779   3.101  20.104
  303   1HB   LYS  14          2HB       LYS  14  -4.004   4.267  19.016
  304   2HB   LYS  14          1HB       LYS  14  -3.742   2.528  18.906
  305   1HG   LYS  14          2HG       LYS  14  -4.621   2.600  16.541
  306   2HG   LYS  14          1HG       LYS  14  -4.672   4.365  16.653
  307   1HD   LYS  14          2HD       LYS  14  -2.183   2.633  16.995
  308   2HD   LYS  14          1HD       LYS  14  -2.633   3.502  15.523
  309   1HE   LYS  14          2HE       LYS  14  -2.501   5.662  16.731
  310   2HE   LYS  14          1HE       LYS  14  -2.057   4.813  18.218
  311   1HZ   LYS  14          1HZ       LYS  14  -0.449   4.804  15.719
  312   2HZ   LYS  14          2HZ       LYS  14  -0.048   4.017  17.095
  313   3HZ   LYS  14          3HZ       LYS  14  -0.094   5.647  17.069
  314    H    SER  15           H        SER  15  -7.135   3.432  16.843
  315    HA   SER  15           HA       SER  15  -8.073   6.178  17.238
  316   1HB   SER  15          2HB       SER  15  -8.913   4.035  15.251
  317   2HB   SER  15          1HB       SER  15  -9.553   5.689  15.292
  318    HG   SER  15           HG       SER  15  -6.779   5.092  15.115
  319    H    ARG  16           H        ARG  16  -9.603   2.953  17.546
  320    HA   ARG  16           HA       ARG  16 -12.201   3.784  18.412
  321   1HB   ARG  16          2HB       ARG  16 -10.589   1.309  19.193
  322   2HB   ARG  16          1HB       ARG  16 -12.265   1.600  19.660
  323   1HG   ARG  16          2HG       ARG  16 -12.833   1.803  17.200
  324   2HG   ARG  16          1HG       ARG  16 -11.221   1.188  16.830
  325   1HD   ARG  16          2HD       ARG  16 -13.263  -0.270  18.584
  326   2HD   ARG  16          1HD       ARG  16 -13.121  -0.498  16.851
  327    HE   ARG  16           HE       ARG  16 -11.161  -1.735  17.095
  328   1HH1  ARG  16          1HH1      ARG  16 -11.990  -0.653  20.397
  329   2HH1  ARG  16          2HH1      ARG  16 -10.861  -1.862  21.010
  330   1HH2  ARG  16          1HH2      ARG  16  -9.959  -3.158  18.067
  331   2HH2  ARG  16          2HH2      ARG  16  -9.815  -3.131  19.850
  332    H    TYR  17           H        TYR  17  -9.343   3.063  20.451
  333    HA   TYR  17           HA       TYR  17 -10.677   3.867  22.853
  334   1HB   TYR  17          2HB       TYR  17  -8.666   2.321  22.615
  335   2HB   TYR  17          1HB       TYR  17  -7.679   3.777  22.457
  336    HD1  TYR  17           HD1      TYR  17 -10.281   2.134  24.602
  337    HD2  TYR  17           HD2      TYR  17  -6.977   4.917  24.482
  338    HE1  TYR  17           HE1      TYR  17 -10.438   2.428  27.065
  339    HE2  TYR  17           HE2      TYR  17  -7.105   5.163  26.944
  340    HH   TYR  17           HH       TYR  17  -8.074   4.379  28.869
  341    H    LYS  18           H        LYS  18  -8.489   5.735  20.688
  342    HA   LYS  18           HA       LYS  18  -8.413   8.109  22.274
  343   1HB   LYS  18          2HB       LYS  18  -7.022   7.553  20.257
  344   2HB   LYS  18          1HB       LYS  18  -8.399   7.992  19.233
  345   1HG   LYS  18          2HG       LYS  18  -8.360  10.285  20.228
  346   2HG   LYS  18          1HG       LYS  18  -7.001   9.817  21.257
  347   1HD   LYS  18          2HD       LYS  18  -6.987   9.914  18.207
  348   2HD   LYS  18          1HD       LYS  18  -6.281  11.125  19.290
  349   1HE   LYS  18          2HE       LYS  18  -4.728   9.396  20.202
  350   2HE   LYS  18          1HE       LYS  18  -5.413   8.208  19.085
  351   1HZ   LYS  18          1HZ       LYS  18  -3.882  10.649  18.344
  352   2HZ   LYS  18          2HZ       LYS  18  -4.669   9.711  17.246
  353   3HZ   LYS  18          3HZ       LYS  18  -3.429   9.110  18.125
  354    H    ALA  19           H        ALA  19 -10.889   7.045  19.909
  355    HA   ALA  19           HA       ALA  19 -12.590   9.323  20.179
  356   1HB   ALA  19          1HB       ALA  19 -14.344   7.889  19.285
  357   2HB   ALA  19          2HB       ALA  19 -13.385   6.437  19.619
  358   3HB   ALA  19          3HB       ALA  19 -12.826   7.613  18.410
  359    H    ARG  20           H        ARG  20 -12.456   6.342  22.190
  360    HA   ARG  20           HA       ARG  20 -14.583   7.103  24.009
  361   1HB   ARG  20          2HB       ARG  20 -12.151   5.334  24.527
  362   2HB   ARG  20          1HB       ARG  20 -13.516   5.506  25.607
  363   1HG   ARG  20          2HG       ARG  20 -13.647   4.385  22.775
  364   2HG   ARG  20          1HG       ARG  20 -13.604   3.438  24.254
  365   1HD   ARG  20          2HD       ARG  20 -15.819   5.358  23.420
  366   2HD   ARG  20          1HD       ARG  20 -15.885   3.609  23.321
  367    HE   ARG  20           HE       ARG  20 -16.233   5.268  25.714
  368   1HH1  ARG  20          1HH1      ARG  20 -15.562   1.980  24.698
  369   2HH1  ARG  20          2HH1      ARG  20 -16.067   1.323  26.232
  370   1HH2  ARG  20          1HH2      ARG  20 -16.844   4.368  27.622
  371   2HH2  ARG  20          2HH2      ARG  20 -16.772   2.641  27.831
  372    H    ARG  21           H        ARG  21 -11.080   7.693  24.214
  373    HA   ARG  21           HA       ARG  21 -11.215   9.238  26.674
  374   1HB   ARG  21          2HB       ARG  21  -9.113   9.186  24.475
  375   2HB   ARG  21          1HB       ARG  21  -8.917  10.021  26.009
  376   1HG   ARG  21          2HG       ARG  21  -9.342   7.015  25.678
  377   2HG   ARG  21          1HG       ARG  21  -7.806   7.800  25.961
  378   1HD   ARG  21          2HD       ARG  21 -10.155   7.680  27.886
  379   2HD   ARG  21          1HD       ARG  21  -8.651   6.782  27.997
  380    HE   ARG  21           HE       ARG  21  -8.822   9.777  28.262
  381   1HH1  ARG  21          1HH1      ARG  21  -7.185   6.766  29.445
  382   2HH1  ARG  21          2HH1      ARG  21  -6.439   7.774  30.664
  383   1HH2  ARG  21          1HH2      ARG  21  -7.685  10.742  29.932
  384   2HH2  ARG  21          2HH2      ARG  21  -6.629   9.683  30.876
  385    H    ALA  22           H        ALA  22 -11.652  10.253  23.314
  386    HA   ALA  22           HA       ALA  22 -11.912  13.064  23.947
  387   1HB   ALA  22          1HB       ALA  22 -11.499  12.229  21.661
  388   2HB   ALA  22          2HB       ALA  22 -12.959  13.231  21.741
  389   3HB   ALA  22          3HB       ALA  22 -13.105  11.467  21.639
  390    H    GLU  23           H        GLU  23 -14.401  10.453  23.600
  391    HA   GLU  23           HA       GLU  23 -16.636  12.081  24.362
  392   1HB   GLU  23          2HB       GLU  23 -16.144   9.086  24.532
  393   2HB   GLU  23          1HB       GLU  23 -17.679   9.824  24.973
  394   1HG   GLU  23          2HG       GLU  23 -16.396  10.112  22.222
  395   2HG   GLU  23          1HG       GLU  23 -17.594   8.897  22.645
  396    H    LEU  24           H        LEU  24 -14.268  10.434  26.382
  397    HA   LEU  24           HA       LEU  24 -15.490  10.579  28.901
  398   1HB   LEU  24          2HB       LEU  24 -13.355   9.425  28.335
  399   2HB   LEU  24          1HB       LEU  24 -12.573  10.998  28.179
  400    HG   LEU  24           HG       LEU  24 -12.948  11.438  30.600
  401   1HD1  LEU  24          1HD1      LEU  24 -14.913  10.003  31.016
  402   2HD1  LEU  24          2HD1      LEU  24 -13.573   9.542  32.070
  403   3HD1  LEU  24          3HD1      LEU  24 -13.951   8.554  30.641
  404   1HD2  LEU  24          1HD2      LEU  24 -10.842  10.469  29.794
  405   2HD2  LEU  24          2HD2      LEU  24 -11.516   8.829  29.957
  406   3HD2  LEU  24          3HD2      LEU  24 -11.259   9.841  31.395
  407    H    ILE  25           H        ILE  25 -14.212  13.260  27.037
  408    HA   ILE  25           HA       ILE  25 -13.751  15.245  28.984
  409    HB   ILE  25           HB       ILE  25 -14.949  15.514  26.213
  410   1HG1  ILE  25          2HG1      ILE  25 -12.124  16.097  27.229
  411   2HG1  ILE  25          1HG1      ILE  25 -12.586  14.572  26.488
  412   1HG2  ILE  25          1HG2      ILE  25 -14.298  17.925  26.350
  413   2HG2  ILE  25          2HG2      ILE  25 -13.878  17.701  28.063
  414   3HG2  ILE  25          3HG2      ILE  25 -15.558  17.528  27.498
  415   1HD1  ILE  25          1HD1      ILE  25 -12.493  17.296  25.148
  416   2HD1  ILE  25          2HD1      ILE  25 -13.323  15.900  24.423
  417   3HD1  ILE  25          3HD1      ILE  25 -11.586  15.832  24.743
  418    H    ALA  26           H        ALA  26 -16.887  14.144  27.669
  419    HA   ALA  26           HA       ALA  26 -18.561  16.088  28.890
  420   1HB   ALA  26          1HB       ALA  26 -19.210  14.597  27.027
  421   2HB   ALA  26          2HB       ALA  26 -20.355  14.491  28.377
  422   3HB   ALA  26          3HB       ALA  26 -19.161  13.200  28.128
  423    H    GLU  27           H        GLU  27 -16.841  13.543  30.461
  424    HA   GLU  27           HA       GLU  27 -18.560  13.722  32.912
  425   1HB   GLU  27          2HB       GLU  27 -16.575  11.583  32.060
  426   2HB   GLU  27          1HB       GLU  27 -17.474  11.614  33.580
  427   1HG   GLU  27          2HG       GLU  27 -19.621  11.599  32.275
  428   2HG   GLU  27          1HG       GLU  27 -18.685  11.397  30.793
  429    H    ARG  28           H        ARG  28 -15.636  14.911  31.685
  430    HA   ARG  28           HA       ARG  28 -14.627  15.487  34.462
  431   1HB   ARG  28          2HB       ARG  28 -12.351  15.128  33.776
  432   2HB   ARG  28          1HB       ARG  28 -13.327  13.715  33.445
  433   1HG   ARG  28          2HG       ARG  28 -12.040  13.824  31.537
  434   2HG   ARG  28          1HG       ARG  28 -13.523  14.601  31.028
  435   1HD   ARG  28          2HD       ARG  28 -11.781  15.889  30.119
  436   2HD   ARG  28          1HD       ARG  28 -12.358  16.862  31.454
  437    HE   ARG  28           HE       ARG  28  -9.806  15.312  31.279
  438   1HH1  ARG  28          1HH1      ARG  28 -11.604  17.551  33.370
  439   2HH1  ARG  28          2HH1      ARG  28 -10.124  17.973  34.188
  440   1HH2  ARG  28          1HH2      ARG  28  -8.178  15.819  32.353
  441   2HH2  ARG  28          2HH2      ARG  28  -8.192  16.996  33.674
  442    H    ARG  29           H        ARG  29 -15.673  17.028  31.677
  443    HA   ARG  29           HA       ARG  29 -14.047  19.392  31.652
  444   1HB   ARG  29          2HB       ARG  29 -15.560  18.677  29.831
  445   2HB   ARG  29          1HB       ARG  29 -16.965  19.035  30.845
  446   1HG   ARG  29          2HG       ARG  29 -16.334  21.428  30.880
  447   2HG   ARG  29          1HG       ARG  29 -14.858  21.063  29.960
  448   1HD   ARG  29          2HD       ARG  29 -16.276  20.222  28.075
  449   2HD   ARG  29          1HD       ARG  29 -17.719  20.615  29.007
  450    HE   ARG  29           HE       ARG  29 -17.440  22.880  28.564
  451   1HH1  ARG  29          1HH1      ARG  29 -14.550  21.268  27.401
  452   2HH1  ARG  29          2HH1      ARG  29 -14.012  22.691  26.548
  453   1HH2  ARG  29          1HH2      ARG  29 -16.694  24.626  27.468
  454   2HH2  ARG  29          2HH2      ARG  29 -15.192  24.529  26.589
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  13.402  11.770  11.911
    2   2H5*    G   1          2H5*        G   1  12.272  12.919  12.654
    3    H4*    G   1           H4*        G   1  11.766  11.188  14.420
    4    H3*    G   1           H3*        G   1  10.594  11.470  11.963
    5    H2*    G   1          1H2*        G   1  10.708   8.779  11.389
    6   2HO*    G   1          2HO*        G   1  12.035   9.432   9.676
    7    H1*    G   1           H1*        G   1  13.558   9.118  11.635
    8    H8     G   1           H8         G   1  13.024   7.376  14.664
    9    H1     G   1           H1         G   1  12.000   3.525   9.581
   10   1H2     G   1          1H2         G   1  11.525   4.795   7.815
   11   2H2     G   1          2H2         G   1  11.536   6.557   7.967
   12   1H5*    G   2          1H5*        G   2   6.338  10.794  12.366
   13   2H5*    G   2          2H5*        G   2   5.690   9.390  13.210
   14    H4*    G   2           H4*        G   2   8.223   9.386  11.508
   15    H3*    G   2           H3*        G   2   6.597   9.407   9.859
   16    H2*    G   2          1H2*        G   2   6.435   6.727   9.538
   17   2HO*    G   2          2HO*        G   2   8.700   6.642   9.216
   18    H1*    G   2           H1*        G   2   6.304   6.252  11.806
   19    H8     G   2           H8         G   2   8.963   5.905  13.682
   20    H1     G   2           H1         G   2   9.066   1.166   9.296
   21   1H2     G   2          1H2         G   2   8.381   1.959   7.361
   22   2H2     G   2          2H2         G   2   7.892   3.653   7.220
   23   1H5*    U   3          1H5*        U   3   5.398   7.993   7.668
   24   2H5*    U   3          2H5*        U   3   3.760   8.239   7.025
   25    H4*    U   3           H4*        U   3   4.633   6.250   5.996
   26    H3*    U   3           H3*        U   3   2.736   5.521   8.255
   27    H2*    U   3          1H2*        U   3   2.939   3.252   7.509
   28   2HO*    U   3          2HO*        U   3   3.144   4.009   5.148
   29    H1*    U   3           H1*        U   3   5.650   3.393   7.243
   30    H3     U   3           H3         U   3   5.814   0.990  10.998
   31    H5     U   3           H5         U   3   4.564   4.739  12.343
   32    H6     U   3           H6         U   3   4.252   5.446  10.024
   33   1H5*    U   4          1H5*        U   4   1.285   3.468   4.832
   34   2H5*    U   4          2H5*        U   4  -0.476   3.360   4.855
   35    H4*    U   4           H4*        U   4   0.636   1.139   4.729
   36    H3*    U   4           H3*        U   4  -0.969   1.735   7.217
   37    H2*    U   4          1H2*        U   4  -0.520  -0.440   7.970
   38   2HO*    U   4          2HO*        U   4  -1.154  -1.476   5.989
   39    H1*    U   4           H1*        U   4   2.000  -0.674   6.671
   40    H3     U   4           H3         U   4   3.030  -1.701  10.960
   41    H5     U   4           H5         U   4   2.000   2.337  11.179
   42    H6     U   4           H6         U   4   1.268   2.243   8.835
   43   1H5*    C   5          1H5*        C   5  -4.036   1.278   9.010
   44   2H5*    C   5          2H5*        C   5  -2.408   0.830   8.556
   45    H4*    C   5           H4*        C   5  -4.410  -1.328   8.131
   46    H3*    C   5           H3*        C   5  -3.892  -0.240  10.909
   47    H2*    C   5          1H2*        C   5  -4.143  -2.512  11.663
   48   2HO*    C   5          2HO*        C   5  -5.836  -3.207  10.278
   49    H1*    C   5           H1*        C   5  -2.532  -3.536   9.701
   50   1H4     C   5          1H4         C   5   1.428  -0.763  14.185
   51   2H4     C   5          2H4         C   5   1.218  -2.461  14.631
   52    H5     C   5           H5         C   5   0.106   0.279  12.440
   53    H6     C   5           H6         C   5  -1.472  -0.143  10.665
   54   1H5*    A   6          1H5*        A   6  -8.218  -2.370  13.367
   55   2H5*    A   6          2H5*        A   6  -6.619  -1.860  13.938
   56    H4*    A   6           H4*        A   6  -7.358  -4.626  12.903
   57    H3*    A   6           H3*        A   6  -6.647  -3.428  15.598
   58    H2*    A   6          1H2*        A   6  -5.448  -5.352  16.220
   59   2HO*    A   6          2HO*        A   6  -7.017  -6.828  15.088
   60    H1*    A   6           H1*        A   6  -4.063  -5.585  13.889
   61    H8     A   6           H8         A   6  -4.107  -1.945  13.777
   62   1H6     A   6          1H6         A   6   0.394  -2.300  18.148
   63   2H6     A   6          2H6         A   6  -0.259  -1.257  16.884
   64    H2     A   6           H2         A   6  -1.859  -6.014  18.214
   65   1H5*    C   7          1H5*        C   7 -10.492  -3.830  18.859
   66   2H5*    C   7          2H5*        C   7  -9.295  -2.807  18.088
   67    H4*    C   7           H4*        C   7  -8.789  -5.714  18.904
   68    H3*    C   7           H3*        C   7  -8.325  -3.081  20.338
   69    H2*    C   7          1H2*        C   7  -6.591  -4.204  21.536
   70   2HO*    C   7          2HO*        C   7  -7.857  -6.229  21.775
   71    H1*    C   7           H1*        C   7  -5.745  -5.647  19.271
   72   1H4     C   7          1H4         C   7  -2.291  -0.099  18.795
   73   2H4     C   7          2H4         C   7  -1.681  -0.800  20.286
   74    H5     C   7           H5         C   7  -4.103  -1.043  17.564
   75    H6     C   7           H6         C   7  -5.846  -2.726  17.580
   76   1H5*    C   8          1H5*        C   8  -9.256  -2.582  24.897
   77   2H5*    C   8          2H5*        C   8  -8.299  -1.815  23.612
   78    H4*    C   8           H4*        C   8  -7.211  -3.969  25.482
   79    H3*    C   8           H3*        C   8  -7.165  -0.942  25.582
   80    H2*    C   8          1H2*        C   8  -5.064  -1.107  26.721
   81   2HO*    C   8          2HO*        C   8  -5.669  -3.043  27.990
   82    H1*    C   8           H1*        C   8  -4.094  -3.039  25.011
   83   1H4     C   8          1H4         C   8  -3.044   2.400  21.552
   84   2H4     C   8          2H4         C   8  -1.683   2.115  22.653
   85    H5     C   8           H5         C   8  -5.066   1.008  21.711
   86    H6     C   8           H6         C   8  -6.073  -0.873  22.893
   87   1H5*    U   9          1H5*        U   9  -7.141   1.320  29.693
   88   2H5*    U   9          2H5*        U   9  -6.807   1.543  27.970
   89    H4*    U   9           H4*        U   9  -4.690   0.638  29.953
   90    H3*    U   9           H3*        U   9  -5.610   3.347  28.956
   91    H2*    U   9          1H2*        U   9  -3.403   4.134  28.964
   92   2HO*    U   9          2HO*        U   9  -2.811   3.091  31.022
   93    H1*    U   9           H1*        U   9  -2.281   1.797  27.961
   94    H3     U   9           H3         U   9  -1.707   4.895  24.666
   95    H5     U   9           H5         U   9  -5.650   3.605  24.201
   96    H6     U   9           H6         U   9  -5.478   2.377  26.293
   97   1H5*    C  10          1H5*        C  10  -5.038   7.038  31.870
   98   2H5*    C  10          2H5*        C  10  -5.023   6.655  30.136
   99    H4*    C  10           H4*        C  10  -2.507   6.918  31.846
  100    H3*    C  10           H3*        C  10  -3.938   8.890  30.027
  101    H2*    C  10          1H2*        C  10  -1.829   9.845  29.582
  102   2HO*    C  10          2HO*        C  10  -1.247   9.601  31.982
  103    H1*    C  10           H1*        C  10  -0.462   7.351  29.736
  104   1H4     C  10          1H4         C  10  -1.994   8.763  23.437
  105   2H4     C  10          2H4         C  10  -0.425   9.437  23.817
  106    H5     C  10           H5         C  10  -3.175   7.375  25.147
  107    H6     C  10           H6         C  10  -3.276   6.925  27.531
  108   1H5*    U  11          1H5*        U  11  -2.526  11.995  31.400
  109   2H5*    U  11          2H5*        U  11  -3.819  13.076  31.969
  110    H4*    U  11           H4*        U  11  -2.825  14.095  30.005
  111    H3*    U  11           H3*        U  11  -5.481  12.758  29.428
  112    H2*    U  11          1H2*        U  11  -5.419  13.624  27.261
  113   2HO*    U  11          2HO*        U  11  -4.506  15.753  28.207
  114    H1*    U  11           H1*        U  11  -2.618  13.345  27.008
  115    H3     U  11           H3         U  11  -3.790  10.417  23.758
  116    H5     U  11           H5         U  11  -5.796   8.907  27.096
  117    H6     U  11           H6         U  11  -4.861  10.728  28.454
  118   1H5*    A  12          1H5*        A  12  -9.150  16.376  29.101
  119   2H5*    A  12          2H5*        A  12  -9.276  14.713  28.511
  120    H4*    A  12           H4*        A  12 -10.001  16.222  26.765
  121    H3*    A  12           H3*        A  12  -7.309  14.938  26.259
  122    H2*    A  12          1H2*        A  12  -7.242  16.016  24.140
  123   2HO*    A  12          2HO*        A  12  -9.642  15.604  23.829
  124    H1*    A  12           H1*        A  12  -8.251  18.437  24.977
  125    H8     A  12           H8         A  12  -6.027  17.695  27.809
  126   1H6     A  12          1H6         A  12  -1.811  19.399  25.703
  127   2H6     A  12          2H6         A  12  -1.484  19.793  24.010
  128    H2     A  12           H2         A  12  -4.923  18.971  21.583
  129   1H5*    A  13          1H5*        A  13  -6.329  11.780  23.416
  130   2H5*    A  13          2H5*        A  13  -5.706  12.991  24.568
  131    H4*    A  13           H4*        A  13  -6.322  13.690  21.690
  132    H3*    A  13           H3*        A  13  -3.745  12.578  22.786
  133    H2*    A  13          1H2*        A  13  -2.644  13.909  21.121
  134   2HO*    A  13          2HO*        A  13  -4.044  13.609  19.357
  135    H1*    A  13           H1*        A  13  -4.188  16.128  21.567
  136    H8     A  13           H8         A  13  -3.688  14.948  25.039
  137   1H6     A  13          1H6         A  13   0.801  17.050  25.719
  138   2H6     A  13          2H6         A  13   1.922  17.710  24.523
  139    H2     A  13           H2         A  13   0.312  17.286  20.565
  140   1H5*    C  14          1H5*        C  14  -0.994  10.163  19.611
  141   2H5*    C  14          2H5*        C  14  -0.847  11.024  21.153
  142    H4*    C  14           H4*        C  14  -0.541  12.294  18.390
  143    H3*    C  14           H3*        C  14   1.395  11.311  20.483
  144    H2*    C  14          1H2*        C  14   2.900  13.062  19.948
  145   2HO*    C  14          2HO*        C  14   2.219  13.017  17.575
  146    H1*    C  14           H1*        C  14   1.020  15.007  20.062
  147   1H4     C  14          1H4         C  14   1.540  13.511  26.426
  148   2H4     C  14          2H4         C  14   3.062  14.290  25.990
  149    H5     C  14           H5         C  14  -0.130  12.955  24.742
  150    H6     C  14           H6         C  14  -0.608  12.952  22.390
  151   1H5*    C  15          1H5*        C  15   4.266  11.740  18.321
  152   2H5*    C  15          2H5*        C  15   5.280  10.304  18.110
  153    H4*    C  15           H4*        C  15   6.470  12.092  19.331
  154    H3*    C  15           H3*        C  15   5.812   9.601  20.916
  155    H2*    C  15          1H2*        C  15   7.063  10.525  22.733
  156   2HO*    C  15          2HO*        C  15   8.744  11.450  21.235
  157    H1*    C  15           H1*        C  15   6.084  13.091  22.454
  158   1H4     C  15          1H4         C  15   1.541   9.770  25.918
  159   2H4     C  15          2H4         C  15   2.785  10.350  27.006
  160    H5     C  15           H5         C  15   1.815  10.052  23.467
  161    H6     C  15           H6         C  15   3.312  10.879  21.741
  162   1H5*    G  16          1H5*        G  16   8.024   6.312  22.263
  163   2H5*    G  16          2H5*        G  16   6.454   7.099  22.035
  164    H4*    G  16           H4*        G  16   8.283   7.810  24.359
  165    H3*    G  16           H3*        G  16   6.278   5.572  24.044
  166    H2*    G  16          1H2*        G  16   5.658   5.837  26.340
  167   2HO*    G  16          2HO*        G  16   7.944   6.493  26.972
  168    H1*    G  16           H1*        G  16   5.278   8.516  26.125
  169    H8     G  16           H8         G  16   4.365   7.922  22.685
  170    H1     G  16           H1         G  16   0.118   5.015  26.562
  171   1H2     G  16          1H2         G  16   2.561   5.575  28.948
  172   2H2     G  16          2H2         G  16   0.974   4.887  28.620
  173   1H5*    G  17          1H5*        G  17   7.752   4.078  27.423
  174   2H5*    G  17          2H5*        G  17   8.404   2.453  27.154
  175    H4*    G  17           H4*        G  17   6.751   2.390  28.918
  176    H3*    G  17           H3*        G  17   5.796   1.109  26.341
  177    H2*    G  17          1H2*        G  17   3.919   0.300  27.639
  178   2HO*    G  17          2HO*        G  17   5.364   0.144  29.672
  179    H1*    G  17           H1*        G  17   3.387   2.747  28.693
  180    H8     G  17           H8         G  17   4.673   3.816  25.395
  181    H1     G  17           H1         G  17  -0.977   0.736  24.945
  182   1H2     G  17          1H2         G  17  -1.297  -0.431  26.766
  183   2H2     G  17          2H2         G  17  -0.176  -0.281  28.130
  184   1H5*    G  18          1H5*        G  18   4.840  -1.828  29.019
  185   2H5*    G  18          2H5*        G  18   5.621  -3.345  28.560
  186    H4*    G  18           H4*        G  18   3.227  -3.655  28.977
  187    H3*    G  18           H3*        G  18   4.101  -4.026  26.101
  188    H2*    G  18          1H2*        G  18   1.899  -4.886  25.692
  189   2HO*    G  18          2HO*        G  18   1.896  -5.963  27.929
  190    H1*    G  18           H1*        G  18   0.620  -2.929  27.182
  191    H8     G  18           H8         G  18   3.264  -1.039  25.382
  192    H1     G  18           H1         G  18  -1.913  -2.553  21.817
  193   1H2     G  18          1H2         G  18  -2.917  -4.308  22.723
  194   2H2     G  18          2H2         G  18  -2.321  -4.953  24.253
  195   1H5*    U  19          1H5*        U  19   2.323  -7.740  26.502
  196   2H5*    U  19          2H5*        U  19   3.456  -8.973  25.918
  197    H4*    U  19           H4*        U  19   1.382  -9.042  24.620
  198    H3*    U  19           H3*        U  19   3.865  -8.093  23.184
  199    H2*    U  19          1H2*        U  19   1.424  -8.864  21.607
  200   2HO*    U  19          2HO*        U  19   3.602  -8.171  20.853
  201    H1*    U  19           H1*        U  19   0.104  -7.397  22.592
  202    H3     U  19           H3         U  19  -0.021  -4.172  19.477
  203    H5     U  19           H5         U  19   3.285  -3.066  21.801
  204    H6     U  19           H6         U  19   2.897  -5.043  23.216
  205   1H5*    G  20          1H5*        G  20   1.273 -11.362  21.131
  206   2H5*    G  20          2H5*        G  20   2.378 -12.506  20.361
  207    H4*    G  20           H4*        G  20   0.603 -12.067  18.833
  208    H3*    G  20           H3*        G  20   3.071 -10.532  17.965
  209    H2*    G  20          1H2*        G  20   1.867 -10.177  15.915
  210   2HO*    G  20          2HO*        G  20   0.946 -12.366  15.812
  211    H1*    G  20           H1*        G  20  -0.546  -9.689  17.205
  212    H8     G  20           H8         G  20   2.480  -8.084  18.852
  213    H1     G  20           H1         G  20  -0.022  -4.672  13.976
  214   1H2     G  20          1H2         G  20  -1.485  -5.930  12.903
  215   2H2     G  20          2H2         G  20  -1.842  -7.566  13.474
  216   1H5*    A  21          1H5*        A  21   5.206 -12.029  13.808
  217   2H5*    A  21          2H5*        A  21   5.212 -10.595  14.861
  218    H4*    A  21           H4*        A  21   3.167 -11.133  12.669
  219    H3*    A  21           H3*        A  21   5.484  -9.150  12.743
  220    H2*    A  21          1H2*        A  21   4.178  -7.913  11.165
  221   2HO*    A  21          2HO*        A  21   3.376  -9.872  10.019
  222    H1*    A  21           H1*        A  21   1.845  -8.279  12.598
  223    H8     A  21           H8         A  21   4.626  -7.601  15.073
  224   1H6     A  21          1H6         A  21   4.008  -1.624  13.169
  225   2H6     A  21          2H6         A  21   4.838  -2.614  14.373
  226    H2     A  21           H2         A  21   1.696  -4.101  10.533
  227   1H5*    G  22          1H5*        G  22   8.871  -9.247   9.612
  228   2H5*    G  22          2H5*        G  22   8.565  -7.718  10.432
  229    H4*    G  22           H4*        G  22   6.663  -9.186   8.560
  230    H3*    G  22           H3*        G  22   8.368  -6.708   8.408
  231    H2*    G  22          1H2*        G  22   6.728  -5.584   7.115
  232   2HO*    G  22          2HO*        G  22   6.157  -7.760   6.011
  233    H1*    G  22           H1*        G  22   4.589  -6.329   8.640
  234    H8     G  22           H8         G  22   6.577  -6.104  11.560
  235    H1     G  22           H1         G  22   5.840  -0.284   8.885
  236   1H2     G  22          1H2         G  22   5.159  -2.115   6.079
  237   2H2     G  22          2H2         G  22   5.323  -0.503   6.778
  238   1H5*    C  23          1H5*        C  23   7.483  -6.239   4.719
  239   2H5*    C  23          2H5*        C  23   8.921  -6.378   3.694
  240    H4*    C  23           H4*        C  23   7.936  -4.208   3.328
  241    H3*    C  23           H3*        C  23  10.481  -4.120   4.961
  242    H2*    C  23          1H2*        C  23  10.385  -1.754   4.855
  243   2HO*    C  23          2HO*        C  23   9.740  -1.555   2.633
  244    H1*    C  23           H1*        C  23   7.659  -1.573   5.257
  245   1H4     C  23          1H4         C  23  10.024  -2.365  11.334
  246   2H4     C  23          2H4         C  23   9.858  -0.631  11.021
  247    H5     C  23           H5         C  23   9.657  -4.015   9.578
  248    H6     C  23           H6         C  23   9.062  -4.294   7.247
  249   1H5*    C  24          1H5*        C  24  13.978  -1.475   2.341
  250   2H5*    C  24          2H5*        C  24  13.443  -1.757   4.007
  251    H4*    C  24           H4*        C  24  12.490   0.527   2.222
  252    H3*    C  24           H3*        C  24  14.430   0.354   4.554
  253    H2*    C  24          1H2*        C  24  13.790   2.561   5.176
  254   2HO*    C  24          2HO*        C  24  13.612   3.318   2.885
  255    H1*    C  24           H1*        C  24  11.091   2.117   4.808
  256   1H4     C  24          1H4         C  24  12.928  -0.435  10.636
  257   2H4     C  24          2H4         C  24  12.464   1.256  10.877
  258    H5     C  24           H5         C  24  12.973  -1.428   8.413
  259    H6     C  24           H6         C  24  12.638  -0.975   6.040
  260   1H    GLU   8          1H        GLU   8  -7.629  15.933  12.116
  261   2H    GLU   8          2H        GLU   8  -6.965  14.965  13.266
  262   3H    GLU   8          3H        GLU   8  -8.585  14.965  13.042
  263    HA   GLU   8           HA       GLU   8  -8.401  13.967  10.894
  264   1HB   GLU   8          2HB       GLU   8  -5.391  14.118  11.390
  265   2HB   GLU   8          1HB       GLU   8  -6.155  13.132  10.157
  266   1HG   GLU   8          2HG       GLU   8  -5.481  14.981   8.964
  267   2HG   GLU   8          1HG       GLU   8  -7.204  15.241   9.196
  268    H    SER   9           H        SER   9  -8.316  11.684  10.606
  269    HA   SER   9           HA       SER   9  -7.248  10.013  12.798
  270   1HB   SER   9          2HB       SER   9  -9.366   8.683  12.857
  271   2HB   SER   9          1HB       SER   9  -9.500  10.306  13.539
  272    HG   SER   9           HG       SER   9 -10.302   9.566  10.896
  273    H    LYS  10           H        LYS  10  -6.353   8.203  12.100
  274    HA   LYS  10           HA       LYS  10  -6.968   7.096   9.403
  275   1HB   LYS  10          2HB       LYS  10  -4.680   6.831   8.860
  276   2HB   LYS  10          1HB       LYS  10  -4.994   8.526   9.180
  277   1HG   LYS  10          2HG       LYS  10  -3.849   8.359  11.357
  278   2HG   LYS  10          1HG       LYS  10  -3.628   6.609  11.134
  279   1HD   LYS  10          2HD       LYS  10  -2.291   7.021   9.093
  280   2HD   LYS  10          1HD       LYS  10  -2.509   8.768   9.289
  281   1HE   LYS  10          2HE       LYS  10  -1.265   8.703  11.420
  282   2HE   LYS  10          1HE       LYS  10  -1.092   6.944  11.282
  283   1HZ   LYS  10          1HZ       LYS  10   0.900   8.152  10.445
  284   2HZ   LYS  10          2HZ       LYS  10  -0.009   8.884   9.314
  285   3HZ   LYS  10          3HZ       LYS  10   0.186   7.262   9.256
  286    H    GLY  11           H        GLY  11  -5.425   4.956   9.233
  287   1HA   GLY  11          2HA       GLY  11  -6.793   3.036  10.895
  288   2HA   GLY  11          1HA       GLY  11  -5.557   2.695   9.694
  289    H    THR  12           H        THR  12  -6.055   3.810  12.998
  290    HA   THR  12           HA       THR  12  -3.956   2.002  13.991
  291    HB   THR  12           HB       THR  12  -3.014   3.528  15.576
  292    HG1  THR  12           HG1      THR  12  -4.907   5.355  14.567
  293   1HG2  THR  12          1HG2      THR  12  -3.005   5.021  12.929
  294   2HG2  THR  12          2HG2      THR  12  -1.955   3.643  13.341
  295   3HG2  THR  12          3HG2      THR  12  -1.832   5.160  14.252
  296    H    ALA  13           H        ALA  13  -4.225   1.912  16.563
  297    HA   ALA  13           HA       ALA  13  -7.099   1.887  17.292
  298   1HB   ALA  13          1HB       ALA  13  -4.575   1.317  18.881
  299   2HB   ALA  13          2HB       ALA  13  -5.857   0.193  18.331
  300   3HB   ALA  13          3HB       ALA  13  -6.209   1.378  19.582
  301    H    LYS  14           H        LYS  14  -4.213   3.879  18.060
  302    HA   LYS  14           HA       LYS  14  -5.219   5.567  20.038
  303   1HB   LYS  14          2HB       LYS  14  -3.152   5.922  17.855
  304   2HB   LYS  14          1HB       LYS  14  -3.601   7.305  18.851
  305   1HG   LYS  14          2HG       LYS  14  -3.036   6.146  20.894
  306   2HG   LYS  14          1HG       LYS  14  -2.647   4.657  20.007
  307   1HD   LYS  14          2HD       LYS  14  -0.773   5.744  18.897
  308   2HD   LYS  14          1HD       LYS  14  -1.229   7.326  19.569
  309   1HE   LYS  14          2HE       LYS  14  -0.805   6.549  21.844
  310   2HE   LYS  14          1HE       LYS  14  -0.449   4.916  21.271
  311   1HZ   LYS  14          1HZ       LYS  14   1.115   7.313  20.449
  312   2HZ   LYS  14          2HZ       LYS  14   1.498   5.750  20.157
  313   3HZ   LYS  14          3HZ       LYS  14   1.542   6.344  21.688
  314    H    SER  15           H        SER  15  -5.442   6.194  16.571
  315    HA   SER  15           HA       SER  15  -6.795   8.671  16.559
  316   1HB   SER  15          2HB       SER  15  -7.458   7.974  14.223
  317   2HB   SER  15          1HB       SER  15  -5.769   7.623  14.591
  318    HG   SER  15           HG       SER  15  -6.995   5.870  13.593
  319    H    ARG  16           H        ARG  16  -8.237   5.435  16.503
  320    HA   ARG  16           HA       ARG  16 -11.013   6.311  16.863
  321   1HB   ARG  16          2HB       ARG  16  -9.667   3.590  17.131
  322   2HB   ARG  16          1HB       ARG  16 -11.411   3.856  17.256
  323   1HG   ARG  16          2HG       ARG  16 -11.505   4.748  14.980
  324   2HG   ARG  16          1HG       ARG  16  -9.753   4.593  14.791
  325   1HD   ARG  16          2HD       ARG  16 -11.626   2.262  15.338
  326   2HD   ARG  16          1HD       ARG  16 -11.098   2.757  13.724
  327    HE   ARG  16           HE       ARG  16  -8.686   2.441  14.805
  328   1HH1  ARG  16          1HH1      ARG  16 -11.387   0.175  15.292
  329   2HH1  ARG  16          2HH1      ARG  16 -10.200  -1.119  15.516
  330   1HH2  ARG  16          1HH2      ARG  16  -7.444   0.668  14.993
  331   2HH2  ARG  16          2HH2      ARG  16  -8.234  -0.877  15.409
  332    H    TYR  17           H        TYR  17  -8.545   5.131  19.108
  333    HA   TYR  17           HA       TYR  17 -10.196   4.883  21.405
  334   1HB   TYR  17          2HB       TYR  17  -7.791   4.028  20.948
  335   2HB   TYR  17          1HB       TYR  17  -7.258   5.592  21.544
  336    HD1  TYR  17           HD1      TYR  17  -7.800   6.231  23.957
  337    HD2  TYR  17           HD2      TYR  17  -8.560   2.287  22.371
  338    HE1  TYR  17           HE1      TYR  17  -8.063   5.334  26.275
  339    HE2  TYR  17           HE2      TYR  17  -8.777   1.400  24.690
  340    HH   TYR  17           HH       TYR  17  -8.761   1.885  26.922
  341    H    LYS  18           H        LYS  18  -8.628   7.735  20.045
  342    HA   LYS  18           HA       LYS  18  -9.115   9.632  22.103
  343   1HB   LYS  18          2HB       LYS  18  -7.811   9.936  19.974
  344   2HB   LYS  18          1HB       LYS  18  -9.341  10.086  19.096
  345   1HG   LYS  18          2HG       LYS  18  -9.920  12.093  20.373
  346   2HG   LYS  18          1HG       LYS  18  -8.501  11.861  21.421
  347   1HD   LYS  18          2HD       LYS  18  -6.980  12.253  19.572
  348   2HD   LYS  18          1HD       LYS  18  -8.329  12.371  18.422
  349   1HE   LYS  18          2HE       LYS  18  -9.161  14.381  19.457
  350   2HE   LYS  18          1HE       LYS  18  -8.081  14.204  20.840
  351   1HZ   LYS  18          1HZ       LYS  18  -6.187  14.614  19.368
  352   2HZ   LYS  18          2HZ       LYS  18  -7.250  15.848  19.241
  353   3HZ   LYS  18          3HZ       LYS  18  -7.167  14.726  18.059
  354    H    ALA  19           H        ALA  19 -11.424   8.348  19.691
  355    HA   ALA  19           HA       ALA  19 -13.649   9.980  20.647
  356   1HB   ALA  19          1HB       ALA  19 -13.699   7.404  19.019
  357   2HB   ALA  19          2HB       ALA  19 -13.562   9.048  18.349
  358   3HB   ALA  19          3HB       ALA  19 -15.021   8.562  19.232
  359    H    ARG  20           H        ARG  20 -12.495   6.672  21.324
  360    HA   ARG  20           HA       ARG  20 -14.549   5.829  23.118
  361   1HB   ARG  20          2HB       ARG  20 -12.645   4.455  22.074
  362   2HB   ARG  20          1HB       ARG  20 -11.613   5.061  23.376
  363   1HG   ARG  20          2HG       ARG  20 -13.253   4.112  25.038
  364   2HG   ARG  20          1HG       ARG  20 -14.159   3.409  23.693
  365   1HD   ARG  20          2HD       ARG  20 -11.249   2.818  24.392
  366   2HD   ARG  20          1HD       ARG  20 -12.633   1.806  24.828
  367    HE   ARG  20           HE       ARG  20 -12.556   2.220  21.969
  368   1HH1  ARG  20          1HH1      ARG  20 -11.011   0.206  24.446
  369   2HH1  ARG  20          2HH1      ARG  20 -10.632  -0.997  23.200
  370   1HH2  ARG  20          1HH2      ARG  20 -11.940   0.541  20.571
  371   2HH2  ARG  20          2HH2      ARG  20 -11.083  -0.824  21.293
  372    H    ARG  21           H        ARG  21 -11.553   7.544  23.835
  373    HA   ARG  21           HA       ARG  21 -11.884   8.060  26.648
  374   1HB   ARG  21          2HB       ARG  21 -10.435   9.458  24.376
  375   2HB   ARG  21          1HB       ARG  21 -10.414  10.116  26.000
  376   1HG   ARG  21          2HG       ARG  21  -9.596   7.236  25.550
  377   2HG   ARG  21          1HG       ARG  21  -8.479   8.534  25.130
  378   1HD   ARG  21          2HD       ARG  21  -9.714   8.141  27.884
  379   2HD   ARG  21          1HD       ARG  21  -8.073   7.651  27.409
  380    HE   ARG  21           HE       ARG  21  -8.323  10.409  26.772
  381   1HH1  ARG  21          1HH1      ARG  21  -8.137   8.537  29.712
  382   2HH1  ARG  21          2HH1      ARG  21  -7.321   9.820  30.553
  383   1HH2  ARG  21          2HH2      ARG  21  -7.649  11.963  27.818
  384   2HH2  ARG  21          1HH2      ARG  21  -7.476  11.991  29.569
  385    H    ALA  22           H        ALA  22 -12.815  10.103  23.854
  386    HA   ALA  22           HA       ALA  22 -13.782  12.287  25.268
  387   1HB   ALA  22          1HB       ALA  22 -14.826  11.219  22.619
  388   2HB   ALA  22          2HB       ALA  22 -13.387  12.243  22.843
  389   3HB   ALA  22          3HB       ALA  22 -14.998  12.875  23.229
  390    H    GLU  23           H        GLU  23 -15.582   9.283  24.638
  391    HA   GLU  23           HA       GLU  23 -18.176  10.128  25.462
  392   1HB   GLU  23          2HB       GLU  23 -16.808   7.421  25.704
  393   2HB   GLU  23          1HB       GLU  23 -18.516   7.685  26.026
  394   1HG   GLU  23          2HG       GLU  23 -17.197   8.271  23.341
  395   2HG   GLU  23          1HG       GLU  23 -17.990   6.759  23.750
  396    H    LEU  24           H        LEU  24 -15.449   9.004  27.465
  397    HA   LEU  24           HA       LEU  24 -16.909   9.167  29.996
  398   1HB   LEU  24          2HB       LEU  24 -14.987   7.667  29.736
  399   2HB   LEU  24          1HB       LEU  24 -13.943   9.022  29.313
  400    HG   LEU  24           HG       LEU  24 -14.211   9.969  31.595
  401   1HD1  LEU  24          1HD1      LEU  24 -15.761   7.400  32.159
  402   2HD1  LEU  24          2HD1      LEU  24 -16.408   9.056  32.232
  403   3HD1  LEU  24          3HD1      LEU  24 -15.175   8.544  33.387
  404   1HD2  LEU  24          1HD2      LEU  24 -13.313   7.062  31.540
  405   2HD2  LEU  24          2HD2      LEU  24 -12.852   8.286  32.746
  406   3HD2  LEU  24          3HD2      LEU  24 -12.336   8.468  31.062
  407    H    ILE  25           H        ILE  25 -14.572  11.230  28.277
  408    HA   ILE  25           HA       ILE  25 -14.355  13.260  30.256
  409    HB   ILE  25           HB       ILE  25 -13.860  13.337  27.273
  410   1HG1  ILE  25          2HG1      ILE  25 -11.832  13.249  29.555
  411   2HG1  ILE  25          1HG1      ILE  25 -12.512  11.768  28.899
  412   1HG2  ILE  25          1HG2      ILE  25 -14.164  15.660  28.019
  413   2HG2  ILE  25          2HG2      ILE  25 -12.458  15.368  27.728
  414   3HG2  ILE  25          3HG2      ILE  25 -13.070  15.392  29.394
  415   1HD1  ILE  25          1HD1      ILE  25 -11.681  12.312  26.653
  416   2HD1  ILE  25          2HD1      ILE  25 -10.379  12.219  27.854
  417   3HD1  ILE  25          3HD1      ILE  25 -10.952  13.798  27.290
  418    H    ALA  26           H        ALA  26 -16.752  12.925  27.653
  419    HA   ALA  26           HA       ALA  26 -18.066  15.417  27.922
  420   1HB   ALA  26          1HB       ALA  26 -19.982  14.235  26.914
  421   2HB   ALA  26          2HB       ALA  26 -19.212  12.672  27.257
  422   3HB   ALA  26          3HB       ALA  26 -18.464  13.802  26.104
  423    H    GLU  27           H        GLU  27 -18.225  12.602  30.071
  424    HA   GLU  27           HA       GLU  27 -20.367  13.839  31.739
  425   1HB   GLU  27          2HB       GLU  27 -18.864  11.210  32.058
  426   2HB   GLU  27          1HB       GLU  27 -20.158  11.804  33.102
  427   1HG   GLU  27          2HG       GLU  27 -21.677  11.871  31.082
  428   2HG   GLU  27          1HG       GLU  27 -20.409  11.059  30.160
  429    H    ARG  28           H        ARG  28 -16.881  13.347  31.721
  430    HA   ARG  28           HA       ARG  28 -16.313  14.064  34.443
  431   1HB   ARG  28          2HB       ARG  28 -14.847  12.911  32.589
  432   2HB   ARG  28          1HB       ARG  28 -14.433  14.567  32.115
  433   1HG   ARG  28          2HG       ARG  28 -13.676  14.948  34.518
  434   2HG   ARG  28          1HG       ARG  28 -14.001  13.238  34.821
  435   1HD   ARG  28          2HD       ARG  28 -11.704  13.288  34.389
  436   2HD   ARG  28          1HD       ARG  28 -12.402  12.737  32.858
  437    HE   ARG  28           HE       ARG  28 -12.089  15.628  32.929
  438   1HH1  ARG  28          1HH1      ARG  28 -10.168  12.744  32.412
  439   2HH1  ARG  28          2HH1      ARG  28  -8.920  13.637  31.565
  440   1HH2  ARG  28          1HH2      ARG  28 -10.399  16.702  32.004
  441   2HH2  ARG  28          2HH2      ARG  28  -8.956  15.825  31.554
  442    H    ARG  29           H        ARG  29 -16.768  15.990  31.586
  443    HA   ARG  29           HA       ARG  29 -15.740  18.504  32.213
  444   1HB   ARG  29          2HB       ARG  29 -16.677  17.781  30.036
  445   2HB   ARG  29          1HB       ARG  29 -18.312  17.891  30.701
  446   1HG   ARG  29          2HG       ARG  29 -17.970  20.332  31.098
  447   2HG   ARG  29          1HG       ARG  29 -16.342  20.210  30.415
  448   1HD   ARG  29          2HD       ARG  29 -18.944  19.578  28.951
  449   2HD   ARG  29          1HD       ARG  29 -18.066  21.096  28.818
  450    HE   ARG  29           HE       ARG  29 -17.412  18.541  27.550
  451   1HH1  ARG  29          1HH2      ARG  29 -16.031  21.654  28.380
  452   2HH1  ARG  29          2HH2      ARG  29 -14.773  21.498  27.180
  453   1HH2  ARG  29          1HH1      ARG  29 -15.805  18.420  26.064
  454   2HH2  ARG  29          2HH1      ARG  29 -14.656  19.722  25.914
  Start of MODEL   11
    1   1H5*    G   1          2H5*        G   1  18.961 -10.839  12.136
    2   2H5*    G   1          1H5*        G   1  17.937 -12.074  12.896
    3    H4*    G   1           H4*        G   1  19.054 -12.275  10.061
    4    H3*    G   1           H3*        G   1  16.349 -11.374  11.083
    5    H2*    G   1          1H2*        G   1  15.465 -12.174   8.989
    6   2HO*    G   1          2HO*        G   1  17.221 -11.477   7.617
    7    H1*    G   1           H1*        G   1  16.914 -14.516   9.077
    8    H8     G   1           H8         G   1  15.810 -13.829  12.612
    9    H1     G   1           H1         G   1  11.130 -16.170   8.829
   10   1H2     G   1          1H2         G   1  11.794 -16.060   6.722
   11   2H2     G   1          2H2         G   1  13.429 -15.507   6.329
   12   1H5*    G   2          1H5*        G   2  14.300  -8.205   7.583
   13   2H5*    G   2          2H5*        G   2  13.720  -9.390   8.766
   14    H4*    G   2           H4*        G   2  14.397 -10.012   5.855
   15    H3*    G   2           H3*        G   2  11.825  -9.481   7.354
   16    H2*    G   2          1H2*        G   2  10.697 -11.100   6.006
   17   2HO*    G   2          2HO*        G   2  12.125 -10.517   4.055
   18    H1*    G   2           H1*        G   2  12.569 -13.026   6.346
   19    H8     G   2           H8         G   2  13.093 -11.529   9.626
   20    H1     G   2           H1         G   2   7.243 -14.219   9.173
   21   1H2     G   2          1H2         G   2   6.740 -14.494   7.030
   22   2H2     G   2          2H2         G   2   7.946 -14.101   5.795
   23   1H5*    U   3          1H5*        U   3   9.886  -9.682   4.135
   24   2H5*    U   3          2H5*        U   3   8.997  -8.196   3.777
   25    H4*    U   3           H4*        U   3   7.466 -10.074   3.919
   26    H3*    U   3           H3*        U   3   7.207  -8.160   6.264
   27    H2*    U   3          1H2*        U   3   5.234  -9.371   6.835
   28   2HO*    U   3          2HO*        U   3   4.397  -9.764   4.723
   29    H1*    U   3           H1*        U   3   6.406 -11.821   6.507
   30    H3     U   3           H3         U   3   5.903 -11.110  11.005
   31    H5     U   3           H5         U   3   9.523  -9.260  10.038
   32    H6     U   3           H6         U   3   9.052  -9.632   7.675
   33   1H5*    U   4          1H5*        U   4   2.209  -6.388   5.035
   34   2H5*    U   4          2H5*        U   4   2.910  -6.804   6.602
   35    H4*    U   4           H4*        U   4   1.166  -8.606   4.859
   36    H3*    U   4           H3*        U   4   0.813  -6.937   7.340
   37    H2*    U   4          1H2*        U   4  -0.571  -8.541   8.372
   38   2HO*    U   4          2HO*        U   4  -1.794  -9.108   6.448
   39    H1*    U   4           H1*        U   4   0.903 -10.732   7.698
   40    H3     U   4           H3         U   4   1.647 -10.000  12.172
   41    H5     U   4           H5         U   4   4.741  -8.051  10.119
   42    H6     U   4           H6         U   4   3.537  -8.364   8.056
   43   1H5*    C   5          1H5*        C   5  -3.957  -5.685   8.115
   44   2H5*    C   5          2H5*        C   5  -2.460  -5.919   9.037
   45    H4*    C   5           H4*        C   5  -4.556  -8.081   8.543
   46    H3*    C   5           H3*        C   5  -3.946  -6.268  10.892
   47    H2*    C   5          1H2*        C   5  -4.735  -8.039  12.334
   48   2HO*    C   5          2HO*        C   5  -6.389  -8.748  10.636
   49    H1*    C   5           H1*        C   5  -3.263  -9.956  11.063
   50   1H4     C   5          1H4         C   5   1.417  -6.887  14.457
   51   2H4     C   5          2H4         C   5   0.609  -8.000  15.565
   52    H5     C   5           H5         C   5   0.572  -6.476  12.219
   53    H6     C   5           H6         C   5  -1.161  -7.068  10.624
   54   1H5*    A   6          1H5*        A   6  -7.831  -7.738  11.794
   55   2H5*    A   6          2H5*        A   6  -8.865  -6.411  12.342
   56    H4*    A   6           H4*        A   6  -8.805  -8.230  13.989
   57    H3*    A   6           H3*        A   6  -7.418  -5.685  14.859
   58    H2*    A   6          1H2*        A   6  -7.274  -6.681  17.045
   59   2HO*    A   6          2HO*        A   6  -9.320  -7.764  17.098
   60    H1*    A   6           H1*        A   6  -6.342  -9.053  16.099
   61    H8     A   6           H8         A   6  -4.871  -6.373  13.851
   62   1H6     A   6          1H6         A   6  -0.636  -5.848  18.463
   63   2H6     A   6          2H6         A   6  -0.950  -5.390  16.787
   64    H2     A   6           H2         A   6  -3.931  -8.237  19.936
   65   1H5*    C   7          1H5*        C   7 -10.406  -4.263  19.107
   66   2H5*    C   7          2H5*        C   7  -8.717  -3.986  18.652
   67    H4*    C   7           H4*        C   7  -9.750  -6.403  20.202
   68    H3*    C   7           H3*        C   7  -8.363  -3.819  20.924
   69    H2*    C   7          1H2*        C   7  -7.042  -4.935  22.567
   70   2HO*    C   7          2HO*        C   7  -8.983  -6.506  22.962
   71    H1*    C   7           H1*        C   7  -6.330  -7.022  20.966
   72   1H4     C   7          1H4         C   7  -2.533  -2.474  18.229
   73   2H4     C   7          2H4         C   7  -1.880  -2.754  19.850
   74    H5     C   7           H5         C   7  -4.668  -3.447  17.545
   75    H6     C   7           H6         C   7  -6.535  -4.797  18.278
   76   1H5*    C   8          1H5*        C   8  -8.825  -5.194  24.690
   77   2H5*    C   8          2H5*        C   8  -9.800  -4.083  25.660
   78    H4*    C   8           H4*        C   8  -7.660  -4.590  26.758
   79    H3*    C   8           H3*        C   8  -8.067  -1.751  25.798
   80    H2*    C   8          1H2*        C   8  -5.997  -1.176  26.805
   81   2HO*    C   8          2HO*        C   8  -6.334  -2.381  28.789
   82    H1*    C   8           H1*        C   8  -4.682  -3.530  26.154
   83   1H4     C   8          1H4         C   8  -3.458  -0.220  20.734
   84   2H4     C   8          2H4         C   8  -2.193   0.152  21.911
   85    H5     C   8           H5         C   8  -5.503  -1.367  21.396
   86    H6     C   8           H6         C   8  -6.608  -2.521  23.247
   87   1H5*    U   9          1H5*        U   9  -8.156   1.623  29.162
   88   2H5*    U   9          2H5*        U   9  -7.609   1.249  27.520
   89    H4*    U   9           H4*        U   9  -5.811   1.154  29.988
   90    H3*    U   9           H3*        U   9  -6.353   3.266  27.899
   91    H2*    U   9          1H2*        U   9  -4.072   3.965  28.057
   92   2HO*    U   9          2HO*        U   9  -3.819   3.719  30.368
   93    H1*    U   9           H1*        U   9  -3.073   1.407  28.012
   94    H3     U   9           H3         U   9  -2.134   3.458  24.011
   95    H5     U   9           H5         U   9  -5.864   1.654  23.473
   96    H6     U   9           H6         U   9  -5.965   1.198  25.865
   97   1H5*    C  10          1H5*        C  10  -4.568   5.090  31.908
   98   2H5*    C  10          2H5*        C  10  -5.521   6.559  32.151
   99    H4*    C  10           H4*        C  10  -3.124   6.951  32.546
  100    H3*    C  10           H3*        C  10  -4.305   8.409  30.154
  101    H2*    C  10          1H2*        C  10  -2.209   9.462  29.893
  102   2HO*    C  10          2HO*        C  10  -2.106   9.693  32.379
  103    H1*    C  10           H1*        C  10  -0.660   7.262  30.750
  104   1H4     C  10          1H4         C  10  -1.559   7.641  24.212
  105   2H4     C  10          2H4         C  10  -0.046   8.452  24.606
  106    H5     C  10           H5         C  10  -2.860   6.479  25.892
  107    H6     C  10           H6         C  10  -3.189   6.279  28.305
  108   1H5*    U  11          1H5*        U  11  -3.528  11.508  30.310
  109   2H5*    U  11          2H5*        U  11  -4.175  12.290  31.752
  110    H4*    U  11           H4*        U  11  -5.661  13.653  30.459
  111    H3*    U  11           H3*        U  11  -2.918  13.856  30.649
  112    H2*    U  11          1H2*        U  11  -2.537  14.707  28.072
  113   2HO*    U  11          2HO*        U  11  -1.383  12.754  27.919
  114    H1*    U  11           H1*        U  11  -4.482  14.125  27.085
  115    H3     U  11           H3         U  11  -3.041  11.430  23.745
  116    H5     U  11           H5         U  11  -3.967   8.846  26.956
  117    H6     U  11           H6         U  11  -4.163  10.704  28.371
  118   1H5*    A  12          1H5*        A  12  -7.975  16.067  29.843
  119   2H5*    A  12          2H5*        A  12  -7.278  14.522  29.331
  120    H4*    A  12           H4*        A  12  -9.006  15.190  27.788
  121    H3*    A  12           H3*        A  12  -6.235  15.467  26.656
  122    H2*    A  12          1H2*        A  12  -7.227  16.013  24.550
  123   2HO*    A  12          2HO*        A  12  -9.112  14.538  24.837
  124    H1*    A  12           H1*        A  12  -8.890  17.867  25.590
  125    H8     A  12           H8         A  12  -6.102  18.300  28.003
  126   1H6     A  12          1H6         A  12  -3.393  21.436  25.219
  127   2H6     A  12          2H6         A  12  -3.492  21.768  23.485
  128    H2     A  12           H2         A  12  -6.578  19.425  21.669
  129   1H5*    A  13          1H5*        A  13  -7.613  13.839  22.645
  130   2H5*    A  13          2H5*        A  13  -6.511  12.477  22.412
  131    H4*    A  13           H4*        A  13  -6.026  14.431  20.966
  132    H3*    A  13           H3*        A  13  -3.888  13.721  22.962
  133    H2*    A  13          1H2*        A  13  -2.540  15.410  21.926
  134   2HO*    A  13          2HO*        A  13  -3.025  15.116  19.745
  135    H1*    A  13           H1*        A  13  -4.478  17.286  21.828
  136    H8     A  13           H8         A  13  -4.952  15.312  25.011
  137   1H6     A  13          1H6         A  13  -1.754  18.005  27.768
  138   2H6     A  13          2H6         A  13  -0.539  19.178  27.242
  139    H2     A  13           H2         A  13  -0.672  19.624  22.955
  140   1H5*    C  14          1H5*        C  14   0.234  12.982  19.698
  141   2H5*    C  14          2H5*        C  14   0.080  13.500  21.382
  142    H4*    C  14           H4*        C  14  -0.053  15.398  18.994
  143    H3*    C  14           H3*        C  14   2.137  14.611  20.928
  144    H2*    C  14          1H2*        C  14   2.801  16.789  21.337
  145   2HO*    C  14          2HO*        C  14   2.394  17.402  18.988
  146    H1*    C  14           H1*        C  14   0.306  17.884  21.575
  147   1H4     C  14          1H4         C  14   0.746  14.875  27.368
  148   2H4     C  14          2H4         C  14   1.931  16.180  27.423
  149    H5     C  14           H5         C  14  -0.478  14.357  25.317
  150    H6     C  14           H6         C  14  -0.672  14.861  22.984
  151   1H5*    C  15          1H5*        C  15   5.070  15.286  20.102
  152   2H5*    C  15          2H5*        C  15   6.096  14.021  19.399
  153    H4*    C  15           H4*        C  15   6.689  14.321  21.742
  154    H3*    C  15           H3*        C  15   5.123  11.777  21.226
  155    H2*    C  15          1H2*        C  15   5.478  11.186  23.496
  156   2HO*    C  15          2HO*        C  15   7.748  11.941  23.536
  157    H1*    C  15           H1*        C  15   5.103  13.763  24.482
  158   1H4     C  15          1H4         C  15  -0.862  11.254  23.633
  159   2H4     C  15          2H4         C  15  -0.517  11.149  25.374
  160    H5     C  15           H5         C  15   0.811  11.519  22.019
  161    H6     C  15           H6         C  15   3.019  12.499  21.662
  162   1H5*    G  16          1H5*        G  16   7.726   7.627  22.019
  163   2H5*    G  16          2H5*        G  16   6.011   7.941  21.699
  164    H4*    G  16           H4*        G  16   7.232   8.297  24.464
  165    H3*    G  16           H3*        G  16   6.117   5.818  23.162
  166    H2*    G  16          1H2*        G  16   5.316   5.179  25.336
  167   2HO*    G  16          2HO*        G  16   7.222   5.972  26.519
  168    H1*    G  16           H1*        G  16   4.323   7.659  25.954
  169    H8     G  16           H8         G  16   3.659   7.222  22.283
  170    H1     G  16           H1         G  16  -0.453   3.996  26.060
  171   1H2     G  16          1H2         G  16   1.847   4.798  28.512
  172   2H2     G  16          2H2         G  16   0.337   3.975  28.138
  173   1H5*    G  17          1H5*        G  17   7.746   1.606  24.731
  174   2H5*    G  17          2H5*        G  17   6.342   2.402  23.989
  175    H4*    G  17           H4*        G  17   6.715   2.068  26.995
  176    H3*    G  17           H3*        G  17   5.236   0.424  24.929
  177    H2*    G  17          1H2*        G  17   3.608  -0.092  26.642
  178   2HO*    G  17          2HO*        G  17   5.367   0.030  28.402
  179    H1*    G  17           H1*        G  17   3.259   2.510  27.314
  180    H8     G  17           H8         G  17   4.041   3.179  23.792
  181    H1     G  17           H1         G  17  -1.518  -0.062  24.431
  182   1H2     G  17          1H2         G  17  -1.696  -0.762  26.538
  183   2H2     G  17          2H2         G  17  -0.430  -0.352  27.706
  184   1H5*    G  18          1H5*        G  18   5.110  -2.055  28.187
  185   2H5*    G  18          2H5*        G  18   5.634  -3.697  27.795
  186    H4*    G  18           H4*        G  18   3.412  -3.637  28.858
  187    H3*    G  18           H3*        G  18   3.464  -4.584  25.983
  188    H2*    G  18          1H2*        G  18   1.152  -5.243  26.356
  189   2HO*    G  18          2HO*        G  18   1.659  -5.709  28.761
  190    H1*    G  18           H1*        G  18   0.465  -2.835  27.385
  191    H8     G  18           H8         G  18   3.044  -1.737  24.949
  192    H1     G  18           H1         G  18  -2.366  -3.862  22.137
  193   1H2     G  18          1H2         G  18  -3.540  -5.018  23.651
  194   2H2     G  18          2H2         G  18  -2.946  -5.116  25.317
  195   1H5*    U  19          1H5*        U  19   1.422  -7.607  28.067
  196   2H5*    U  19          2H5*        U  19   1.988  -9.213  27.600
  197    H4*    U  19           H4*        U  19  -0.470  -8.936  27.399
  198    H3*    U  19           H3*        U  19   1.014  -9.408  24.805
  199    H2*    U  19          1H2*        U  19  -1.185  -9.768  23.858
  200   2HO*    U  19          2HO*        U  19  -3.060  -9.814  25.085
  201    H1*    U  19           H1*        U  19  -2.194  -7.489  24.990
  202    H3     U  19           H3         U  19  -1.594  -6.879  20.477
  203    H5     U  19           H5         U  19   1.969  -5.617  22.263
  204    H6     U  19           H6         U  19   1.219  -6.577  24.378
  205   1H5*    G  20          1H5*        G  20  -2.028 -12.311  25.293
  206   2H5*    G  20          2H5*        G  20  -1.594 -13.929  24.754
  207    H4*    G  20           H4*        G  20  -3.724 -13.009  23.764
  208    H3*    G  20           H3*        G  20  -1.482 -13.817  21.907
  209    H2*    G  20          1H2*        G  20  -2.898 -13.299  20.059
  210   2HO*    G  20          2HO*        G  20  -4.859 -14.148  21.272
  211    H1*    G  20           H1*        G  20  -3.836 -10.957  21.060
  212    H8     G  20           H8         G  20  -0.259 -10.795  22.089
  213    H1     G  20           H1         G  20  -1.379  -9.493  15.863
  214   1H2     G  20          1H2         G  20  -3.333 -10.385  15.294
  215   2H2     G  20          2H2         G  20  -4.327 -11.169  16.528
  216   1H5*    A  21          2H5*        A  21  -2.591 -15.901  19.709
  217   2H5*    A  21          1H5*        A  21  -1.635 -17.400  19.619
  218    H4*    A  21           H4*        A  21   0.406 -15.760  19.483
  219    H3*    A  21           H3*        A  21  -0.955 -17.097  17.493
  220    H2*    A  21          1H2*        A  21  -0.912 -14.967  15.789
  221   2HO*    A  21          2HO*        A  21  -2.823 -16.169  16.148
  222    H1*    A  21           H1*        A  21  -1.956 -13.168  17.518
  223    H8     A  21           H8         A  21   1.361 -13.309  18.894
  224   1H6     A  21          1H6         A  21   3.344 -10.031  13.916
  225   2H6     A  21          2H6         A  21   3.798 -10.563  15.535
  226    H2     A  21           H2         A  21  -0.588 -11.634  12.991
  227   1H5*    G  22          1H5*        G  22   1.382 -19.643  14.529
  228   2H5*    G  22          2H5*        G  22   2.196 -18.087  14.622
  229    H4*    G  22           H4*        G  22  -0.805 -18.512  14.183
  230    H3*    G  22           H3*        G  22   1.570 -18.094  12.376
  231    H2*    G  22          1H2*        G  22   0.431 -16.564  10.999
  232   2HO*    G  22          2HO*        G  22  -1.653 -17.916  11.313
  233    H1*    G  22           H1*        G  22  -0.770 -15.120  12.990
  234    H8     G  22           H8         G  22   2.003 -15.400  15.080
  235    H1     G  22           H1         G  22   3.836 -12.240   9.780
  236   1H2     G  22          1H2         G  22   2.437 -12.728   8.121
  237   2H2     G  22          2H2         G  22   1.016 -13.722   8.444
  238   1H5*    C  23          1H5*        C  23  -0.374 -18.607   9.204
  239   2H5*    C  23          2H5*        C  23   0.169 -20.030   8.298
  240    H4*    C  23           H4*        C  23   0.557 -18.069   6.950
  241    H3*    C  23           H3*        C  23   3.108 -19.200   8.132
  242    H2*    C  23          1H2*        C  23   4.303 -17.622   6.774
  243   2HO*    C  23          2HO*        C  23   2.599 -17.867   4.979
  244    H1*    C  23           H1*        C  23   2.646 -15.524   7.366
  245   1H4     C  23          1H4         C  23   6.194 -15.708  12.840
  246   2H4     C  23          2H4         C  23   7.045 -14.701  11.662
  247    H5     C  23           H5         C  23   4.289 -17.070  12.193
  248    H6     C  23           H6         C  23   2.760 -17.580  10.363
  249   1H5*    C  24          1H5*        C  24   4.204 -18.999   4.025
  250   2H5*    C  24          2H5*        C  24   4.848 -20.585   3.575
  251    H4*    C  24           H4*        C  24   6.478 -18.890   3.022
  252    H3*    C  24           H3*        C  24   7.274 -20.528   5.456
  253    H2*    C  24          1H2*        C  24   9.389 -19.452   5.338
  254   2HO*    C  24          2HO*        C  24   9.453 -19.527   2.921
  255    H1*    C  24           H1*        C  24   8.330 -16.949   4.764
  256   1H4     C  24          1H4         C  24   8.026 -17.613  11.310
  257   2H4     C  24          2H4         C  24   9.542 -16.812  10.876
  258    H5     C  24           H5         C  24   6.555 -18.539   9.590
  259    H6     C  24           H6         C  24   6.249 -18.785   7.174
  260   1H    GLU   8          1H        GLU   8 -15.080   1.145  11.193
  261   2H    GLU   8          2H        GLU   8 -13.543   0.585  11.009
  262   3H    GLU   8          3H        GLU   8 -14.536   0.707   9.715
  263    HA   GLU   8           HA       GLU   8 -14.598   3.104   9.895
  264   1HB   GLU   8          2HB       GLU   8 -12.515   2.727  12.089
  265   2HB   GLU   8          1HB       GLU   8 -13.059   4.258  11.410
  266   1HG   GLU   8          2HG       GLU   8 -14.717   2.327  13.082
  267   2HG   GLU   8          1HG       GLU   8 -14.061   3.875  13.591
  268    H    SER   9           H        SER   9 -13.535   3.867   8.146
  269    HA   SER   9           HA       SER   9 -11.712   2.334   6.728
  270   1HB   SER   9          2HB       SER   9 -12.132   5.336   6.501
  271   2HB   SER   9          1HB       SER   9 -11.499   4.256   5.243
  272    HG   SER   9           HG       SER   9 -13.745   4.670   4.977
  273    H    LYS  10           H        LYS  10 -10.923   4.697   9.166
  274    HA   LYS  10           HA       LYS  10  -8.110   5.029   8.506
  275   1HB   LYS  10          2HB       LYS  10  -7.924   6.178  10.601
  276   2HB   LYS  10          1HB       LYS  10  -9.394   6.687   9.776
  277   1HG   LYS  10          2HG       LYS  10 -10.724   5.150  11.285
  278   2HG   LYS  10          1HG       LYS  10  -9.216   4.758  12.138
  279   1HD   LYS  10          2HD       LYS  10  -8.908   7.224  12.567
  280   2HD   LYS  10          1HD       LYS  10 -10.513   7.512  11.883
  281   1HE   LYS  10          2HE       LYS  10 -11.578   6.202  13.629
  282   2HE   LYS  10          1HE       LYS  10 -10.012   5.612  14.210
  283   1HZ   LYS  10          1HZ       LYS  10 -10.883   8.451  14.324
  284   2HZ   LYS  10          2HZ       LYS  10  -9.429   7.871  14.830
  285   3HZ   LYS  10          3HZ       LYS  10 -10.789   7.428  15.606
  286    H    GLY  11           H        GLY  11  -9.738   2.404   9.934
  287   1HA   GLY  11          2HA       GLY  11  -8.968   0.303  10.367
  288   2HA   GLY  11          1HA       GLY  11  -7.355   0.828   9.909
  289    H    THR  12           H        THR  12  -6.353   2.329  11.734
  290    HA   THR  12           HA       THR  12  -5.510   0.408  13.544
  291    HB   THR  12           HB       THR  12  -4.221   2.089  14.732
  292    HG1  THR  12           HG1      THR  12  -5.546   4.004  13.130
  293   1HG2  THR  12          1HG2      THR  12  -3.407   1.323  12.524
  294   2HG2  THR  12          2HG2      THR  12  -2.928   2.991  12.886
  295   3HG2  THR  12          3HG2      THR  12  -4.248   2.681  11.741
  296    H    ALA  13           H        ALA  13  -5.806  -0.249  15.580
  297    HA   ALA  13           HA       ALA  13  -8.200   0.321  17.031
  298   1HB   ALA  13          1HB       ALA  13  -5.575  -0.928  17.964
  299   2HB   ALA  13          2HB       ALA  13  -6.936  -1.792  17.208
  300   3HB   ALA  13          3HB       ALA  13  -7.141  -1.033  18.797
  301    H    LYS  14           H        LYS  14  -4.919   1.662  17.286
  302    HA   LYS  14           HA       LYS  14  -5.296   3.168  19.700
  303   1HB   LYS  14          2HB       LYS  14  -3.367   3.748  17.413
  304   2HB   LYS  14          1HB       LYS  14  -3.325   4.438  19.039
  305   1HG   LYS  14          2HG       LYS  14  -3.231   1.945  19.860
  306   2HG   LYS  14          1HG       LYS  14  -2.810   1.570  18.191
  307   1HD   LYS  14          2HD       LYS  14  -0.771   1.736  19.395
  308   2HD   LYS  14          1HD       LYS  14  -0.864   3.207  18.408
  309   1HE   LYS  14          2HE       LYS  14  -1.637   4.492  20.376
  310   2HE   LYS  14          1HE       LYS  14  -1.721   3.010  21.333
  311   1HZ   LYS  14          1HZ       LYS  14   0.792   4.158  20.249
  312   2HZ   LYS  14          2HZ       LYS  14   0.669   2.792  21.159
  313   3HZ   LYS  14          3HZ       LYS  14   0.285   4.230  21.808
  314    H    SER  15           H        SER  15  -5.976   4.103  16.313
  315    HA   SER  15           HA       SER  15  -6.762   6.809  17.092
  316   1HB   SER  15          2HB       SER  15  -5.878   6.183  14.849
  317   2HB   SER  15          1HB       SER  15  -7.431   5.389  14.501
  318    HG   SER  15           HG       SER  15  -6.995   7.797  13.990
  319    H    ARG  16           H        ARG  16  -8.538   3.755  16.602
  320    HA   ARG  16           HA       ARG  16 -11.199   4.883  17.070
  321   1HB   ARG  16          2HB       ARG  16 -10.047   2.073  17.277
  322   2HB   ARG  16          1HB       ARG  16 -11.725   2.451  17.701
  323   1HG   ARG  16          2HG       ARG  16 -12.141   3.376  15.471
  324   2HG   ARG  16          1HG       ARG  16 -10.474   3.061  14.978
  325   1HD   ARG  16          2HD       ARG  16 -12.372   0.877  15.920
  326   2HD   ARG  16          1HD       ARG  16 -12.264   1.388  14.236
  327    HE   ARG  16           HE       ARG  16  -9.776   0.820  14.385
  328   1HH1  ARG  16          1HH1      ARG  16 -12.081  -1.062  16.272
  329   2HH1  ARG  16          2HH1      ARG  16 -11.110  -2.507  16.074
  330   1HH2  ARG  16          1HH2      ARG  16  -8.687  -1.007  14.214
  331   2HH2  ARG  16          2HH2      ARG  16  -9.076  -2.373  15.265
  332    H    TYR  17           H        TYR  17  -8.766   3.512  19.260
  333    HA   TYR  17           HA       TYR  17 -10.069   4.075  21.741
  334   1HB   TYR  17          2HB       TYR  17  -8.183   2.681  21.771
  335   2HB   TYR  17          1HB       TYR  17  -7.205   3.799  20.856
  336    HD1  TYR  17           HD1      TYR  17  -5.747   5.313  21.898
  337    HD2  TYR  17           HD2      TYR  17  -8.832   3.369  24.211
  338    HE1  TYR  17           HE1      TYR  17  -4.640   6.056  24.004
  339    HE2  TYR  17           HE2      TYR  17  -7.733   4.138  26.309
  340    HH   TYR  17           HH       TYR  17  -6.073   5.491  27.191
  341    H    LYS  18           H        LYS  18  -7.858   6.204  19.829
  342    HA   LYS  18           HA       LYS  18  -7.987   8.471  21.489
  343   1HB   LYS  18          2HB       LYS  18  -6.425   8.116  19.624
  344   2HB   LYS  18          1HB       LYS  18  -7.727   8.402  18.461
  345   1HG   LYS  18          2HG       LYS  18  -7.952  10.708  19.158
  346   2HG   LYS  18          1HG       LYS  18  -6.844  10.456  20.527
  347   1HD   LYS  18          2HD       LYS  18  -4.989  10.011  19.008
  348   2HD   LYS  18          1HD       LYS  18  -6.059  10.120  17.593
  349   1HE   LYS  18          2HE       LYS  18  -6.476  12.471  17.986
  350   2HE   LYS  18          1HE       LYS  18  -5.680  12.401  19.566
  351   1HZ   LYS  18          1HZ       LYS  18  -4.199  13.330  17.894
  352   2HZ   LYS  18          2HZ       LYS  18  -4.282  11.970  16.983
  353   3HZ   LYS  18          3HZ       LYS  18  -3.598  11.924  18.481
  354    H    ALA  19           H        ALA  19 -10.439   7.480  19.128
  355    HA   ALA  19           HA       ALA  19 -12.094   9.847  19.424
  356   1HB   ALA  19          1HB       ALA  19 -13.866   8.467  18.440
  357   2HB   ALA  19          2HB       ALA  19 -12.881   7.007  18.635
  358   3HB   ALA  19          3HB       ALA  19 -12.351   8.297  17.535
  359    H    ARG  20           H        ARG  20 -12.463   6.605  20.864
  360    HA   ARG  20           HA       ARG  20 -14.408   7.036  22.845
  361   1HB   ARG  20          2HB       ARG  20 -13.678   4.840  22.261
  362   2HB   ARG  20          1HB       ARG  20 -12.006   5.194  22.675
  363   1HG   ARG  20          2HG       ARG  20 -12.592   5.321  25.075
  364   2HG   ARG  20          1HG       ARG  20 -14.283   4.930  24.681
  365   1HD   ARG  20          2HD       ARG  20 -13.639   2.750  23.839
  366   2HD   ARG  20          1HD       ARG  20 -11.925   3.197  23.855
  367    HE   ARG  20           HE       ARG  20 -13.350   3.184  26.461
  368   1HH1  ARG  20          1HH1      ARG  20 -11.087   1.370  24.410
  369   2HH1  ARG  20          2HH1      ARG  20 -10.438   0.583  25.855
  370   1HH2  ARG  20          1HH2      ARG  20 -12.397   1.999  28.141
  371   2HH2  ARG  20          2HH2      ARG  20 -11.108   0.878  27.683
  372    H    ARG  21           H        ARG  21 -10.939   7.609  23.166
  373    HA   ARG  21           HA       ARG  21 -10.745   8.455  25.857
  374   1HB   ARG  21          2HB       ARG  21  -9.273   9.230  23.320
  375   2HB   ARG  21          1HB       ARG  21  -8.893  10.026  24.823
  376   1HG   ARG  21          2HG       ARG  21  -8.774   7.001  24.419
  377   2HG   ARG  21          1HG       ARG  21  -7.394   8.092  24.269
  378   1HD   ARG  21          2HD       ARG  21  -9.039   7.593  26.788
  379   2HD   ARG  21          1HD       ARG  21  -7.413   7.023  26.456
  380    HE   ARG  21           HE       ARG  21  -7.392   9.864  26.204
  381   1HH1  ARG  21          1HH1      ARG  21  -7.398   7.438  28.723
  382   2HH1  ARG  21          2HH1      ARG  21  -7.057   8.635  29.962
  383   1HH2  ARG  21          1HH2      ARG  21  -6.823  11.196  27.627
  384   2HH2  ARG  21          2HH2      ARG  21  -6.598  10.761  29.320
  385    H    ALA  22           H        ALA  22 -11.357  10.628  23.075
  386    HA   ALA  22           HA       ALA  22 -11.778  12.938  24.695
  387   1HB   ALA  22          1HB       ALA  22 -12.788  12.316  21.881
  388   2HB   ALA  22          2HB       ALA  22 -11.196  12.996  22.296
  389   3HB   ALA  22          3HB       ALA  22 -12.671  13.927  22.622
  390    H    GLU  23           H        GLU  23 -14.008  10.303  23.958
  391    HA   GLU  23           HA       GLU  23 -16.407  11.707  24.906
  392   1HB   GLU  23          2HB       GLU  23 -16.015   8.695  24.924
  393   2HB   GLU  23          1HB       GLU  23 -17.507   9.620  24.924
  394   1HG   GLU  23          2HG       GLU  23 -16.804  10.469  22.585
  395   2HG   GLU  23          1HG       GLU  23 -15.553   9.235  22.636
  396    H    LEU  24           H        LEU  24 -14.118   9.364  26.323
  397    HA   LEU  24           HA       LEU  24 -15.271   9.191  28.908
  398   1HB   LEU  24          2HB       LEU  24 -13.772   7.560  27.896
  399   2HB   LEU  24          1HB       LEU  24 -12.416   8.674  27.953
  400    HG   LEU  24           HG       LEU  24 -13.832   8.046  30.544
  401   1HD1  LEU  24          1HD1      LEU  24 -12.476   6.010  30.851
  402   2HD1  LEU  24          2HD1      LEU  24 -11.877   6.150  29.182
  403   3HD1  LEU  24          3HD1      LEU  24 -13.600   5.836  29.496
  404   1HD2  LEU  24          1HD2      LEU  24 -10.878   8.357  29.829
  405   2HD2  LEU  24          2HD2      LEU  24 -11.542   8.144  31.461
  406   3HD2  LEU  24          3HD2      LEU  24 -11.888   9.618  30.555
  407    H    ILE  25           H        ILE  25 -12.584  11.288  27.810
  408    HA   ILE  25           HA       ILE  25 -11.942  12.365  30.358
  409    HB   ILE  25           HB       ILE  25 -10.744  14.150  29.116
  410   1HG1  ILE  25          2HG1      ILE  25 -10.580  13.646  26.558
  411   2HG1  ILE  25          1HG1      ILE  25 -12.240  13.100  26.767
  412   1HG2  ILE  25          1HG2      ILE  25  -9.729  11.988  29.643
  413   2HG2  ILE  25          2HG2      ILE  25  -9.114  12.652  28.128
  414   3HG2  ILE  25          3HG2      ILE  25 -10.288  11.332  28.095
  415   1HD1  ILE  25          1HD1      ILE  25 -12.902  15.330  27.573
  416   2HD1  ILE  25          2HD1      ILE  25 -12.078  15.449  26.016
  417   3HD1  ILE  25          3HD1      ILE  25 -11.211  15.870  27.503
  418    H    ALA  26           H        ALA  26 -14.728  13.145  28.505
  419    HA   ALA  26           HA       ALA  26 -15.243  15.770  29.619
  420   1HB   ALA  26          1HB       ALA  26 -17.164  13.653  28.557
  421   2HB   ALA  26          2HB       ALA  26 -16.335  14.882  27.571
  422   3HB   ALA  26          3HB       ALA  26 -17.518  15.375  28.798
  423    H    GLU  27           H        GLU  27 -15.487  12.554  30.905
  424    HA   GLU  27           HA       GLU  27 -16.802  13.546  33.426
  425   1HB   GLU  27          2HB       GLU  27 -17.163  10.887  31.997
  426   2HB   GLU  27          1HB       GLU  27 -17.851  11.299  33.571
  427   1HG   GLU  27          2HG       GLU  27 -19.153  13.136  32.531
  428   2HG   GLU  27          1HG       GLU  27 -18.502  12.707  30.945
  429    H    ARG  28           H        ARG  28 -14.108  11.953  32.097
  430    HA   ARG  28           HA       ARG  28 -12.454  10.547  32.779
  431   1HB   ARG  28          2HB       ARG  28 -12.525  12.226  35.308
  432   2HB   ARG  28          1HB       ARG  28 -11.205  11.177  34.764
  433   1HG   ARG  28          2HG       ARG  28 -11.119  12.581  32.618
  434   2HG   ARG  28          1HG       ARG  28 -12.231  13.706  33.416
  435   1HD   ARG  28          2HD       ARG  28 -10.562  13.952  35.269
  436   2HD   ARG  28          1HD       ARG  28  -9.460  12.887  34.387
  437    HE   ARG  28           HE       ARG  28 -10.499  15.486  33.295
  438   1HH1  ARG  28          1HH2      ARG  28  -7.684  13.310  33.489
  439   2HH1  ARG  28          2HH2      ARG  28  -6.730  14.527  32.636
  440   1HH2  ARG  28          1HH1      ARG  28  -9.040  16.907  32.364
  441   2HH2  ARG  28          2HH1      ARG  28  -7.403  16.299  32.081
  442    H    ARG  29           H        ARG  29 -14.336   9.156  32.672
  443    HA   ARG  29           HA       ARG  29 -15.774   7.955  34.738
  444   1HB   ARG  29          2HB       ARG  29 -14.850   6.634  32.155
  445   2HB   ARG  29          1HB       ARG  29 -16.190   6.102  33.171
  446   1HG   ARG  29          2HG       ARG  29 -17.412   8.197  32.734
  447   2HG   ARG  29          1HG       ARG  29 -16.064   8.805  31.755
  448   1HD   ARG  29          2HD       ARG  29 -16.336   6.950  30.171
  449   2HD   ARG  29          1HD       ARG  29 -17.716   6.341  31.110
  450    HE   ARG  29           HE       ARG  29 -18.548   8.876  30.637
  451   1HH1  ARG  29          1HH1      ARG  29 -17.308   6.586  28.280
  452   2HH1  ARG  29          2HH1      ARG  29 -18.219   7.356  27.006
  453   1HH2  ARG  29          1HH2      ARG  29 -19.570   9.713  29.131
  454   2HH2  ARG  29          2HH2      ARG  29 -19.510   9.144  27.457
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  17.995  -6.306  19.838
    2   2H5*    G   1          2H5*        G   1  17.042  -4.836  20.116
    3    H4*    G   1           H4*        G   1  15.279  -6.290  21.213
    4    H3*    G   1           H3*        G   1  15.611  -5.644  18.546
    5    H2*    G   1          1H2*        G   1  14.873  -8.153  17.690
    6   2HO*    G   1          2HO*        G   1  17.628  -7.505  18.175
    7    H1*    G   1           H1*        G   1  16.708  -9.485  19.220
    8    H8     G   1           H8         G   1  13.875  -8.843  21.565
    9    H1     G   1           H1         G   1  12.701 -13.539  17.288
   10   1H2     G   1          1H2         G   1  14.148 -13.348  15.612
   11   2H2     G   1          2H2         G   1  15.443 -12.144  15.695
   12   1H5*    G   2          2H5*        G   2  14.928  -6.183  16.312
   13   2H5*    G   2          1H5*        G   2  13.784  -5.218  15.379
   14    H4*    G   2           H4*        G   2  14.771  -7.105  14.096
   15    H3*    G   2           H3*        G   2  11.785  -7.153  14.567
   16    H2*    G   2          1H2*        G   2  11.705  -9.067  13.101
   17   2HO*    G   2          2HO*        G   2  13.599  -8.097  11.770
   18    H1*    G   2           H1*        G   2  13.782 -10.361  14.277
   19    H8     G   2           H8         G   2  12.222  -8.698  17.226
   20    H1     G   2           H1         G   2   8.845 -13.743  15.041
   21   1H2     G   2          1H2         G   2   9.528 -14.227  12.987
   22   2H2     G   2          2H2         G   2  10.868 -13.323  12.265
   23   1H5*    U   3          1H5*        U   3  11.729  -7.965  10.638
   24   2H5*    U   3          2H5*        U   3  10.578  -6.932   9.780
   25    H4*    U   3           H4*        U   3   9.997  -9.293   9.514
   26    H3*    U   3           H3*        U   3   8.071  -7.741  11.260
   27    H2*    U   3          1H2*        U   3   6.638  -9.685  11.111
   28   2HO*    U   3          2HO*        U   3   7.308 -10.189   8.834
   29    H1*    U   3           H1*        U   3   8.683 -11.425  11.656
   30    H3     U   3           H3         U   3   6.154 -11.314  15.453
   31    H5     U   3           H5         U   3   8.598  -7.936  15.744
   32    H6     U   3           H6         U   3   9.357  -8.317  13.460
   33   1H5*    U   4          1H5*        U   4   5.777  -9.420   7.839
   34   2H5*    U   4          2H5*        U   4   4.555  -8.230   7.379
   35    H4*    U   4           H4*        U   4   3.546 -10.423   7.781
   36    H3*    U   4           H3*        U   4   2.839  -8.351   9.880
   37    H2*    U   4          1H2*        U   4   1.157  -9.944  10.587
   38   2HO*    U   4          2HO*        U   4   0.763 -10.678   8.276
   39    H1*    U   4           H1*        U   4   2.919 -12.065  10.447
   40    H3     U   4           H3         U   4   2.273 -11.493  14.903
   41    H5     U   4           H5         U   4   4.736  -8.282  13.869
   42    H6     U   4           H6         U   4   4.477  -8.882  11.509
   43   1H5*    C   5          1H5*        C   5  -0.976  -9.610   8.177
   44   2H5*    C   5          2H5*        C   5  -2.024  -8.183   8.164
   45    H4*    C   5           H4*        C   5  -3.034 -10.108   9.349
   46    H3*    C   5           H3*        C   5  -2.451  -7.620  10.960
   47    H2*    C   5          1H2*        C   5  -3.666  -8.648  12.748
   48   2HO*    C   5          2HO*        C   5  -5.374  -9.588  11.476
   49    H1*    C   5           H1*        C   5  -2.538 -11.140  12.405
   50   1H4     C   5          1H4         C   5   1.648  -7.252  15.766
   51   2H4     C   5          2H4         C   5   0.837  -8.336  16.899
   52    H5     C   5           H5         C   5   1.065  -7.230  13.364
   53    H6     C   5           H6         C   5  -0.326  -8.251  11.705
   54   1H5*    A   6          1H5*        A   6  -6.926  -5.734  12.627
   55   2H5*    A   6          2H5*        A   6  -5.242  -5.849  13.163
   56    H4*    A   6           H4*        A   6  -7.439  -7.866  13.804
   57    H3*    A   6           H3*        A   6  -6.073  -5.663  15.368
   58    H2*    A   6          1H2*        A   6  -6.355  -6.991  17.365
   59   2HO*    A   6          2HO*        A   6  -8.457  -7.993  16.396
   60    H1*    A   6           H1*        A   6  -5.246  -9.181  16.260
   61    H8     A   6           H8         A   6  -3.413  -6.663  14.255
   62   1H6     A   6          1H6         A   6  -0.014  -5.684  19.426
   63   2H6     A   6          2H6         A   6  -0.095  -5.328  17.699
   64    H2     A   6           H2         A   6  -3.506  -7.974  20.566
   65   1H5*    C   7          1H5*        C   7  -8.974  -6.657  17.918
   66   2H5*    C   7          2H5*        C   7  -9.953  -5.309  18.513
   67    H4*    C   7           H4*        C   7  -8.853  -6.725  20.309
   68    H3*    C   7           H3*        C   7  -8.379  -3.761  20.104
   69    H2*    C   7          1H2*        C   7  -6.911  -3.807  21.928
   70   2HO*    C   7          2HO*        C   7  -6.777  -5.490  23.426
   71    H1*    C   7           H1*        C   7  -5.750  -6.295  21.407
   72   1H4     C   7          1H4         C   7  -1.800  -2.308  18.116
   73   2H4     C   7          2H4         C   7  -1.306  -2.327  19.818
   74    H5     C   7           H5         C   7  -3.877  -3.423  17.410
   75    H6     C   7           H6         C   7  -5.781  -4.705  18.202
   76   1H5*    C   8          1H5*        C   8  -8.562  -3.377  23.834
   77   2H5*    C   8          2H5*        C   8  -9.884  -2.315  24.372
   78    H4*    C   8           H4*        C   8  -8.547  -0.357  23.581
   79    H3*    C   8           H3*        C   8  -7.469   0.049  25.482
   80    H2*    C   8          1H2*        C   8  -5.430  -1.037  25.897
   81   2HO*    C   8          2HO*        C   8  -6.666  -3.112  26.398
   82    H1*    C   8           H1*        C   8  -5.191  -2.473  23.546
   83   1H4     C   8          1H4         C   8  -2.166   2.096  20.521
   84   2H4     C   8          2H4         C   8  -1.004   1.500  21.706
   85    H5     C   8           H5         C   8  -4.508   1.568  20.643
   86    H6     C   8           H6         C   8  -6.187   0.342  21.847
   87   1H5*    U   9          1H5*        U   9  -7.278   1.160  29.249
   88   2H5*    U   9          2H5*        U   9  -7.346   1.403  27.493
   89    H4*    U   9           H4*        U   9  -4.772   0.687  28.961
   90    H3*    U   9           H3*        U   9  -5.848   3.440  28.206
   91    H2*    U   9          1H2*        U   9  -3.689   4.084  27.676
   92   2HO*    U   9          2HO*        U   9  -2.897   3.002  29.748
   93    H1*    U   9           H1*        U   9  -2.825   1.505  26.854
   94    H3     U   9           H3         U   9  -1.743   4.242  23.369
   95    H5     U   9           H5         U   9  -5.796   3.463  22.895
   96    H6     U   9           H6         U   9  -5.865   2.455  25.122
   97   1H5*    C  10          1H5*        C  10  -6.282   6.417  32.430
   98   2H5*    C  10          2H5*        C  10  -6.759   5.933  30.807
   99    H4*    C  10           H4*        C  10  -3.870   6.236  31.783
  100    H3*    C  10           H3*        C  10  -5.703   8.007  30.159
  101    H2*    C  10          1H2*        C  10  -3.791   8.891  29.094
  102   2HO*    C  10          2HO*        C  10  -2.596   8.952  31.257
  103    H1*    C  10           H1*        C  10  -2.403   6.398  29.263
  104   1H4     C  10          1H4         C  10  -3.853   6.792  23.039
  105   2H4     C  10          2H4         C  10  -5.531   6.993  23.526
  106    H5     C  10           H5         C  10  -2.096   6.672  24.739
  107    H6     C  10           H6         C  10  -1.673   6.649  27.144
  108   1H5*    U  11          1H5*        U  11  -2.916  11.193  31.529
  109   2H5*    U  11          2H5*        U  11  -4.055  12.430  32.085
  110    H4*    U  11           H4*        U  11  -2.636  13.473  30.492
  111    H3*    U  11           H3*        U  11  -5.337  12.821  29.267
  112    H2*    U  11          1H2*        U  11  -4.630  14.141  27.400
  113   2HO*    U  11          2HO*        U  11  -3.606  15.789  28.873
  114    H1*    U  11           H1*        U  11  -2.004  13.237  27.485
  115    H3     U  11           H3         U  11  -3.000  11.268  23.566
  116    H5     U  11           H5         U  11  -5.715   9.498  26.173
  117    H6     U  11           H6         U  11  -4.801  10.846  28.018
  118   1H5*    A  12          1H5*        A  12  -8.804  16.267  29.251
  119   2H5*    A  12          2H5*        A  12  -8.594  14.692  28.468
  120    H4*    A  12           H4*        A  12  -9.329  16.286  26.820
  121    H3*    A  12           H3*        A  12  -6.407  15.534  26.531
  122    H2*    A  12          1H2*        A  12  -6.410  16.723  24.469
  123   2HO*    A  12          2HO*        A  12  -8.718  16.086  23.974
  124    H1*    A  12           H1*        A  12  -7.574  18.936  25.516
  125    H8     A  12           H8         A  12  -5.719  17.847  28.520
  126   1H6     A  12          1H6         A  12  -1.269  19.731  27.228
  127   2H6     A  12          2H6         A  12  -0.705  20.311  25.656
  128    H2     A  12           H2         A  12  -3.779  19.837  22.697
  129   1H5*    A  13          1H5*        A  13  -7.016  13.986  23.120
  130   2H5*    A  13          2H5*        A  13  -6.006  12.548  22.942
  131    H4*    A  13           H4*        A  13  -5.502  14.728  21.626
  132    H3*    A  13           H3*        A  13  -3.275  13.283  23.053
  133    H2*    A  13          1H2*        A  13  -1.849  14.675  21.741
  134   2HO*    A  13          2HO*        A  13  -2.947  14.580  19.736
  135    H1*    A  13           H1*        A  13  -3.486  16.911  22.071
  136    H8     A  13           H8         A  13  -3.137  15.381  25.476
  137   1H6     A  13          1H6         A  13   1.262  17.508  26.585
  138   2H6     A  13          2H6         A  13   2.403  18.342  25.522
  139    H2     A  13           H2         A  13   0.941  18.380  21.485
  140   1H5*    C  14          1H5*        C  14  -0.417  11.430  19.059
  141   2H5*    C  14          2H5*        C  14  -0.052  11.972  20.707
  142    H4*    C  14           H4*        C  14  -0.034  13.691  18.185
  143    H3*    C  14           H3*        C  14   2.047  12.588  20.089
  144    H2*    C  14          1H2*        C  14   3.425  14.468  19.682
  145   2HO*    C  14          2HO*        C  14   2.702  14.679  17.364
  146    H1*    C  14           H1*        C  14   1.437  16.249  20.140
  147   1H4     C  14          1H4         C  14   2.432  14.002  26.217
  148   2H4     C  14          2H4         C  14   3.813  15.029  25.832
  149    H5     C  14           H5         C  14   0.766  13.439  24.543
  150    H6     C  14           H6         C  14   0.158  13.675  22.220
  151   1H5*    C  15          1H5*        C  15   4.693  12.937  18.535
  152   2H5*    C  15          2H5*        C  15   5.818  11.587  18.333
  153    H4*    C  15           H4*        C  15   6.461  13.168  20.167
  154    H3*    C  15           H3*        C  15   5.753  10.336  20.957
  155    H2*    C  15          1H2*        C  15   6.500  10.893  23.168
  156   2HO*    C  15          2HO*        C  15   7.588  12.802  23.674
  157    H1*    C  15           H1*        C  15   5.242  13.349  23.217
  158   1H4     C  15          1H4         C  15   0.252   9.402  24.624
  159   2H4     C  15          2H4         C  15   1.115   9.732  26.128
  160    H5     C  15           H5         C  15   1.189  10.015  22.471
  161    H6     C  15           H6         C  15   3.040  11.141  21.380
  162   1H5*    G  16          1H5*        G  16   8.267   7.086  22.449
  163   2H5*    G  16          2H5*        G  16   6.679   7.610  21.853
  164    H4*    G  16           H4*        G  16   7.698   8.455  24.584
  165    H3*    G  16           H3*        G  16   6.268   5.928  23.746
  166    H2*    G  16          1H2*        G  16   5.100   5.987  25.854
  167   2HO*    G  16          2HO*        G  16   7.095   7.029  26.936
  168    H1*    G  16           H1*        G  16   4.391   8.603  25.603
  169    H8     G  16           H8         G  16   4.145   8.009  22.049
  170    H1     G  16           H1         G  16  -0.225   4.506  25.246
  171   1H2     G  16          1H2         G  16   1.702   5.358  27.957
  172   2H2     G  16          2H2         G  16   0.299   4.456  27.383
  173   1H5*    G  17          1H5*        G  17   6.990   4.956  27.623
  174   2H5*    G  17          2H5*        G  17   7.950   3.472  27.721
  175    H4*    G  17           H4*        G  17   5.960   3.264  29.098
  176    H3*    G  17           H3*        G  17   5.938   1.560  26.597
  177    H2*    G  17          1H2*        G  17   3.961   0.525  27.464
  178   2HO*    G  17          2HO*        G  17   4.593   0.466  29.714
  179    H1*    G  17           H1*        G  17   2.755   2.866  28.152
  180    H8     G  17           H8         G  17   4.698   3.621  25.016
  181    H1     G  17           H1         G  17  -0.817   0.453  23.962
  182   1H2     G  17          1H2         G  17  -1.580  -0.355  25.870
  183   2H2     G  17          2H2         G  17  -0.760   0.056  27.380
  184   1H5*    G  18          1H5*        G  18   5.755  -3.376  28.283
  185   2H5*    G  18          2H5*        G  18   5.303  -2.506  26.800
  186    H4*    G  18           H4*        G  18   3.538  -2.659  29.279
  187    H3*    G  18           H3*        G  18   3.542  -4.275  26.714
  188    H2*    G  18          1H2*        G  18   1.137  -4.461  26.993
  189   2HO*    G  18          2HO*        G  18   1.448  -4.418  29.488
  190    H1*    G  18           H1*        G  18   0.826  -1.797  27.465
  191    H8     G  18           H8         G  18   3.552  -1.464  25.050
  192    H1     G  18           H1         G  18  -1.970  -3.332  22.282
  193   1H2     G  18          1H2         G  18  -3.300  -4.174  23.854
  194   2H2     G  18          2H2         G  18  -2.826  -4.069  25.553
  195   1H5*    U  19          1H5*        U  19   0.903  -6.362  29.153
  196   2H5*    U  19          2H5*        U  19   1.251  -8.093  29.145
  197    H4*    U  19           H4*        U  19  -1.089  -7.627  28.577
  198    H3*    U  19           H3*        U  19   0.571  -8.755  26.311
  199    H2*    U  19          1H2*        U  19  -1.554  -9.074  25.173
  200   2HO*    U  19          2HO*        U  19  -2.678  -9.465  27.372
  201    H1*    U  19           H1*        U  19  -2.393  -6.540  25.724
  202    H3     U  19           H3         U  19  -1.214  -6.614  21.308
  203    H5     U  19           H5         U  19   2.296  -5.642  23.353
  204    H6     U  19           H6         U  19   1.197  -6.219  25.453
  205   1H5*    G  20          1H5*        G  20  -2.810 -11.360  26.743
  206   2H5*    G  20          2H5*        G  20  -2.251 -13.035  26.719
  207    H4*    G  20           H4*        G  20  -4.069 -12.687  25.122
  208    H3*    G  20           H3*        G  20  -1.361 -13.247  23.887
  209    H2*    G  20          1H2*        G  20  -2.547 -13.510  21.799
  210   2HO*    G  20          2HO*        G  20  -4.492 -14.477  23.023
  211    H1*    G  20           H1*        G  20  -4.063 -11.254  22.163
  212    H8     G  20           H8         G  20  -0.687 -10.390  23.588
  213    H1     G  20           H1         G  20  -1.038 -10.040  17.151
  214   1H2     G  20          1H2         G  20  -2.798 -11.215  16.470
  215   2H2     G  20          2H2         G  20  -3.888 -11.936  17.661
  216   1H5*    A  21          1H5*        A  21  -3.846 -16.277  22.218
  217   2H5*    A  21          2H5*        A  21  -3.003 -17.827  22.350
  218    H4*    A  21           H4*        A  21  -3.645 -17.431  20.038
  219    H3*    A  21           H3*        A  21  -0.670 -17.186  20.557
  220    H2*    A  21          1H2*        A  21  -0.393 -17.070  18.184
  221   2HO*    A  21          2HO*        A  21  -1.976 -18.678  17.601
  222    H1*    A  21           H1*        A  21  -2.508 -15.345  17.803
  223    H8     A  21           H8         A  21  -0.482 -14.610  20.995
  224   1H6     A  21          1H6         A  21   2.884 -10.988  17.120
  225   2H6     A  21          2H6         A  21   2.695 -11.437  18.812
  226    H2     A  21           H2         A  21   0.054 -13.225  14.726
  227   1H5*    G  22          1H5*        G  22   1.733 -20.874  18.042
  228   2H5*    G  22          2H5*        G  22   1.945 -19.141  18.356
  229    H4*    G  22           H4*        G  22   0.654 -20.292  15.846
  230    H3*    G  22           H3*        G  22   3.450 -19.347  16.462
  231    H2*    G  22          1H2*        G  22   3.614 -18.504  14.230
  232   2HO*    G  22          2HO*        G  22   2.040 -18.894  12.639
  233    H1*    G  22           H1*        G  22   1.157 -17.292  14.259
  234    H8     G  22           H8         G  22   2.091 -16.718  17.772
  235    H1     G  22           H1         G  22   5.471 -13.055  13.683
  236   1H2     G  22          1H2         G  22   4.371 -15.363  11.379
  237   2H2     G  22          2H2         G  22   5.352 -13.927  11.659
  238   1H5*    C  23          1H5*        C  23   4.252 -20.949  12.910
  239   2H5*    C  23          2H5*        C  23   5.612 -22.081  12.976
  240    H4*    C  23           H4*        C  23   6.139 -20.308  11.417
  241    H3*    C  23           H3*        C  23   7.672 -20.068  14.021
  242    H2*    C  23          1H2*        C  23   8.948 -18.330  12.945
  243   2HO*    C  23          2HO*        C  23   8.736 -19.509  10.759
  244    H1*    C  23           H1*        C  23   6.738 -17.076  11.931
  245   1H4     C  23          1H4         C  23   6.609 -15.321  18.255
  246   2H4     C  23          2H4         C  23   7.626 -14.175  17.369
  247    H5     C  23           H5         C  23   5.788 -17.367  17.183
  248    H6     C  23           H6         C  23   5.722 -18.583  15.091
  249   1H5*    C  24          1H5*        C  24  10.773 -19.870  11.192
  250   2H5*    C  24          2H5*        C  24  12.067 -20.971  11.682
  251    H4*    C  24           H4*        C  24  12.955 -18.733  11.355
  252    H3*    C  24           H3*        C  24  12.843 -19.547  14.282
  253    H2*    C  24          1H2*        C  24  14.140 -17.603  14.718
  254   2HO*    C  24          2HO*        C  24  15.510 -17.903  12.747
  255    H1*    C  24           H1*        C  24  12.740 -16.015  12.894
  256   1H4     C  24          1H4         C  24   9.586 -15.987  18.704
  257   2H4     C  24          2H4         C  24  10.672 -14.592  18.626
  258    H5     C  24           H5         C  24   9.583 -17.685  16.947
  259    H6     C  24           H6         C  24  10.572 -18.307  14.795
  260   1H    GLU   8          1H        GLU   8 -13.313  12.395   9.757
  261   2H    GLU   8          2H        GLU   8 -13.732  12.861  11.266
  262   3H    GLU   8          3H        GLU   8 -14.882  12.729  10.108
  263    HA   GLU   8           HA       GLU   8 -14.998  10.848  11.619
  264   1HB   GLU   8          2HB       GLU   8 -14.006  10.146   8.824
  265   2HB   GLU   8          1HB       GLU   8 -14.727   8.997   9.958
  266   1HG   GLU   8          2HG       GLU   8 -16.812  10.353  10.009
  267   2HG   GLU   8          1HG       GLU   8 -16.119  11.455   8.816
  268    H    SER   9           H        SER   9 -13.980   9.278  12.836
  269    HA   SER   9           HA       SER   9 -11.240   9.506  13.483
  270   1HB   SER   9          2HB       SER   9 -13.122   7.157  13.936
  271   2HB   SER   9          1HB       SER   9 -11.589   7.455  14.780
  272    HG   SER   9           HG       SER   9 -13.422   8.211  15.967
  273    H    LYS  10           H        LYS  10  -9.488   8.799  12.520
  274    HA   LYS  10           HA       LYS  10  -9.405   7.081  10.184
  275   1HB   LYS  10          2HB       LYS  10  -7.193   8.072  12.036
  276   2HB   LYS  10          1HB       LYS  10  -6.917   7.199  10.526
  277   1HG   LYS  10          2HG       LYS  10  -8.108   8.998   9.269
  278   2HG   LYS  10          1HG       LYS  10  -8.356   9.876  10.780
  279   1HD   LYS  10          2HD       LYS  10  -6.507  10.884   9.680
  280   2HD   LYS  10          1HD       LYS  10  -5.868  10.012  11.081
  281   1HE   LYS  10          2HE       LYS  10  -5.175   8.141   9.601
  282   2HE   LYS  10          1HE       LYS  10  -5.885   8.967   8.207
  283   1HZ   LYS  10          1HZ       LYS  10  -3.491   9.347   8.341
  284   2HZ   LYS  10          2HZ       LYS  10  -3.619  10.005   9.828
  285   3HZ   LYS  10          3HZ       LYS  10  -4.272  10.765   8.536
  286    H    GLY  11           H        GLY  11  -7.883   5.175  10.101
  287   1HA   GLY  11          2HA       GLY  11  -9.273   3.123  11.582
  288   2HA   GLY  11          1HA       GLY  11  -8.107   2.886  10.292
  289    H    THR  12           H        THR  12  -6.245   4.596  12.399
  290    HA   THR  12           HA       THR  12  -4.851   2.222  13.269
  291    HB   THR  12           HB       THR  12  -3.318   3.606  14.438
  292    HG1  THR  12           HG1      THR  12  -3.650   5.802  14.703
  293   1HG2  THR  12          1HG2      THR  12  -4.164   5.194  11.982
  294   2HG2  THR  12          2HG2      THR  12  -3.193   3.701  11.947
  295   3HG2  THR  12          3HG2      THR  12  -2.564   5.154  12.744
  296    H    ALA  13           H        ALA  13  -4.331   1.591  15.484
  297    HA   ALA  13           HA       ALA  13  -6.590   1.162  17.143
  298   1HB   ALA  13          1HB       ALA  13  -4.975   0.282  18.739
  299   2HB   ALA  13          2HB       ALA  13  -3.634   1.086  17.890
  300   3HB   ALA  13          3HB       ALA  13  -4.540  -0.230  17.105
  301    H    LYS  14           H        LYS  14  -4.041   3.656  17.353
  302    HA   LYS  14           HA       LYS  14  -4.978   4.968  19.746
  303   1HB   LYS  14          2HB       LYS  14  -3.441   6.243  17.440
  304   2HB   LYS  14          1HB       LYS  14  -3.624   6.862  19.077
  305   1HG   LYS  14          2HG       LYS  14  -2.547   4.311  19.495
  306   2HG   LYS  14          1HG       LYS  14  -1.755   4.823  18.016
  307   1HD   LYS  14          2HD       LYS  14  -1.815   6.411  20.627
  308   2HD   LYS  14          1HD       LYS  14  -0.500   5.352  20.114
  309   1HE   LYS  14          2HE       LYS  14  -0.090   6.763  18.129
  310   2HE   LYS  14          1HE       LYS  14  -1.414   7.836  18.601
  311   1HZ   LYS  14          1HZ       LYS  14  -0.192   8.394  20.606
  312   2HZ   LYS  14          2HZ       LYS  14   0.781   8.680  19.322
  313   3HZ   LYS  14          3HZ       LYS  14   1.016   7.352  20.252
  314    H    SER  15           H        SER  15  -5.657   5.635  16.311
  315    HA   SER  15           HA       SER  15  -7.340   7.908  16.724
  316   1HB   SER  15          2HB       SER  15  -7.326   5.914  14.432
  317   2HB   SER  15          1HB       SER  15  -8.153   7.486  14.435
  318    HG   SER  15           HG       SER  15  -5.402   6.891  14.459
  319    H    ARG  16           H        ARG  16  -8.249   4.457  16.252
  320    HA   ARG  16           HA       ARG  16 -11.096   4.894  16.561
  321   1HB   ARG  16          2HB       ARG  16  -9.353   2.404  16.809
  322   2HB   ARG  16          1HB       ARG  16 -11.112   2.384  17.016
  323   1HG   ARG  16          2HG       ARG  16 -11.397   3.402  14.764
  324   2HG   ARG  16          1HG       ARG  16  -9.652   3.318  14.502
  325   1HD   ARG  16          2HD       ARG  16 -11.390   0.896  15.120
  326   2HD   ARG  16          1HD       ARG  16 -11.055   1.458  13.482
  327    HE   ARG  16           HE       ARG  16  -8.599   1.162  14.005
  328   1HH1  ARG  16          1HH1      ARG  16 -10.930  -0.988  15.508
  329   2HH1  ARG  16          2HH1      ARG  16  -9.781  -2.302  15.585
  330   1HH2  ARG  16          1HH2      ARG  16  -7.209  -0.469  14.192
  331   2HH2  ARG  16          2HH2      ARG  16  -7.690  -1.960  14.988
  332    H    TYR  17           H        TYR  17  -8.609   4.031  18.977
  333    HA   TYR  17           HA       TYR  17 -10.410   3.774  21.177
  334   1HB   TYR  17          2HB       TYR  17  -8.067   2.970  21.125
  335   2HB   TYR  17          1HB       TYR  17  -7.500   4.636  21.214
  336    HD1  TYR  17           HD1      TYR  17  -9.386   1.963  23.009
  337    HD2  TYR  17           HD2      TYR  17  -7.436   5.797  23.338
  338    HE1  TYR  17           HE1      TYR  17  -9.544   1.836  25.496
  339    HE2  TYR  17           HE2      TYR  17  -7.570   5.652  25.821
  340    HH   TYR  17           HH       TYR  17  -8.240   4.408  27.621
  341    H    LYS  18           H        LYS  18  -9.198   6.705  19.648
  342    HA   LYS  18           HA       LYS  18  -9.628   8.516  21.795
  343   1HB   LYS  18          2HB       LYS  18  -8.423   8.829  19.563
  344   2HB   LYS  18          1HB       LYS  18  -9.995   9.232  18.869
  345   1HG   LYS  18          2HG       LYS  18 -10.233  11.157  20.284
  346   2HG   LYS  18          1HG       LYS  18  -8.915  10.652  21.350
  347   1HD   LYS  18          2HD       LYS  18  -8.514  11.395  18.421
  348   2HD   LYS  18          1HD       LYS  18  -8.350  12.537  19.767
  349   1HE   LYS  18          2HE       LYS  18  -6.581  11.156  20.785
  350   2HE   LYS  18          1HE       LYS  18  -6.744   9.954  19.506
  351   1HZ   LYS  18          1HZ       LYS  18  -4.906  11.406  19.085
  352   2HZ   LYS  18          2HZ       LYS  18  -5.840  12.747  19.111
  353   3HZ   LYS  18          3HZ       LYS  18  -6.025  11.645  17.905
  354    H    ALA  19           H        ALA  19 -12.045   6.914  19.897
  355    HA   ALA  19           HA       ALA  19 -14.301   8.595  20.581
  356   1HB   ALA  19          1HB       ALA  19 -15.619   6.578  20.067
  357   2HB   ALA  19          2HB       ALA  19 -14.142   5.592  20.053
  358   3HB   ALA  19          3HB       ALA  19 -14.382   6.858  18.828
  359    H    ARG  20           H        ARG  20 -12.699   5.884  22.254
  360    HA   ARG  20           HA       ARG  20 -14.419   5.724  24.567
  361   1HB   ARG  20          2HB       ARG  20 -12.579   4.094  23.609
  362   2HB   ARG  20          1HB       ARG  20 -11.456   5.016  24.596
  363   1HG   ARG  20          2HG       ARG  20 -13.971   3.673  25.680
  364   2HG   ARG  20          1HG       ARG  20 -12.416   2.864  25.535
  365   1HD   ARG  20          2HD       ARG  20 -11.392   4.566  27.064
  366   2HD   ARG  20          1HD       ARG  20 -12.993   5.282  27.286
  367    HE   ARG  20           HE       ARG  20 -13.680   3.455  28.578
  368   1HH1  ARG  20          1HH1      ARG  20 -10.402   2.778  27.502
  369   2HH1  ARG  20          2HH1      ARG  20 -10.430   1.165  28.157
  370   1HH2  ARG  20          1HH2      ARG  20 -13.533   1.482  29.604
  371   2HH2  ARG  20          2HH2      ARG  20 -12.067   0.549  29.422
  372    H    ARG  21           H        ARG  21 -11.446   7.518  23.902
  373    HA   ARG  21           HA       ARG  21 -11.249   8.975  26.386
  374   1HB   ARG  21          2HB       ARG  21 -10.436   9.899  23.596
  375   2HB   ARG  21          1HB       ARG  21 -10.018  10.689  25.096
  376   1HG   ARG  21          2HG       ARG  21  -9.163   7.880  24.274
  377   2HG   ARG  21          1HG       ARG  21  -8.161   9.327  24.202
  378   1HD   ARG  21          2HD       ARG  21  -9.289   8.052  26.728
  379   2HD   ARG  21          1HD       ARG  21  -7.629   7.963  26.151
  380    HE   ARG  21           HE       ARG  21  -8.112  10.700  26.367
  381   1HH1  ARG  21          1HH1      ARG  21  -7.750   7.977  28.537
  382   2HH1  ARG  21          2HH1      ARG  21  -7.615   9.038  29.939
  383   1HH2  ARG  21          1HH2      ARG  21  -7.400  11.865  28.204
  384   2HH2  ARG  21          2HH2      ARG  21  -7.304  11.010  29.744
  385    H    ALA  22           H        ALA  22 -12.874  10.011  23.357
  386    HA   ALA  22           HA       ALA  22 -13.902  12.436  24.337
  387   1HB   ALA  22          1HB       ALA  22 -15.152  10.555  22.290
  388   2HB   ALA  22          2HB       ALA  22 -13.889  11.765  21.964
  389   3HB   ALA  22          3HB       ALA  22 -15.505  12.284  22.482
  390    H    GLU  23           H        GLU  23 -15.448   9.200  24.539
  391    HA   GLU  23           HA       GLU  23 -17.771  10.060  26.029
  392   1HB   GLU  23          2HB       GLU  23 -16.357   7.371  25.844
  393   2HB   GLU  23          1HB       GLU  23 -17.865   7.622  26.718
  394   1HG   GLU  23          2HG       GLU  23 -17.493   8.152  23.735
  395   2HG   GLU  23          1HG       GLU  23 -18.164   6.683  24.425
  396    H    LEU  24           H        LEU  24 -14.620   8.738  27.194
  397    HA   LEU  24           HA       LEU  24 -15.211   8.857  29.958
  398   1HB   LEU  24          2HB       LEU  24 -13.342   7.616  28.968
  399   2HB   LEU  24          1HB       LEU  24 -12.565   9.124  28.490
  400    HG   LEU  24           HG       LEU  24 -12.249   9.742  30.869
  401   1HD1  LEU  24          1HD1      LEU  24 -12.598   8.012  32.629
  402   2HD1  LEU  24          2HD1      LEU  24 -13.451   6.994  31.447
  403   3HD1  LEU  24          3HD1      LEU  24 -14.125   8.566  31.939
  404   1HD2  LEU  24          1HD2      LEU  24 -10.523   8.079  31.359
  405   2HD2  LEU  24          2HD2      LEU  24 -10.527   8.478  29.634
  406   3HD2  LEU  24          3HD2      LEU  24 -11.243   6.951  30.187
  407    H    ILE  25           H        ILE  25 -13.943  11.391  27.843
  408    HA   ILE  25           HA       ILE  25 -13.500  13.413  29.854
  409    HB   ILE  25           HB       ILE  25 -13.805  13.421  26.857
  410   1HG1  ILE  25          2HG1      ILE  25 -11.398  14.122  28.606
  411   2HG1  ILE  25          1HG1      ILE  25 -11.747  12.468  28.130
  412   1HG2  ILE  25          1HG2      ILE  25 -14.600  15.629  27.489
  413   2HG2  ILE  25          2HG2      ILE  25 -12.977  15.787  26.847
  414   3HG2  ILE  25          3HG2      ILE  25 -13.227  15.854  28.604
  415   1HD1  ILE  25          1HD1      ILE  25 -11.628  13.147  25.718
  416   2HD1  ILE  25          2HD1      ILE  25 -10.116  13.308  26.627
  417   3HD1  ILE  25          3HD1      ILE  25 -11.070  14.751  26.247
  418    H    ALA  26           H        ALA  26 -16.464  12.305  28.377
  419    HA   ALA  26           HA       ALA  26 -18.031  14.547  29.527
  420   1HB   ALA  26          1HB       ALA  26 -18.724  13.574  27.369
  421   2HB   ALA  26          2HB       ALA  26 -19.960  13.369  28.625
  422   3HB   ALA  26          3HB       ALA  26 -18.950  11.993  28.150
  423    H    GLU  27           H        GLU  27 -17.541  11.035  30.075
  424    HA   GLU  27           HA       GLU  27 -19.279  10.800  32.321
  425   1HB   GLU  27          2HB       GLU  27 -16.912   9.141  31.390
  426   2HB   GLU  27          1HB       GLU  27 -17.920   8.666  32.749
  427   1HG   GLU  27          2HG       GLU  27 -19.032   9.157  29.954
  428   2HG   GLU  27          1HG       GLU  27 -18.496   7.588  30.543
  429    H    ARG  28           H        ARG  28 -15.883  11.790  32.288
  430    HA   ARG  28           HA       ARG  28 -15.356  11.415  35.086
  431   1HB   ARG  28          2HB       ARG  28 -13.407  12.802  34.753
  432   2HB   ARG  28          1HB       ARG  28 -13.594  11.700  33.395
  433   1HG   ARG  28          2HG       ARG  28 -14.475  13.524  31.988
  434   2HG   ARG  28          1HG       ARG  28 -14.489  14.623  33.361
  435   1HD   ARG  28          2HD       ARG  28 -12.601  15.143  32.000
  436   2HD   ARG  28          1HD       ARG  28 -12.048  14.496  33.552
  437    HE   ARG  28           HE       ARG  28 -12.165  12.348  31.666
  438   1HH1  ARG  28          1HH1      ARG  28 -10.187  15.221  32.282
  439   2HH1  ARG  28          2HH1      ARG  28  -8.813  14.450  31.480
  440   1HH2  ARG  28          1HH2      ARG  28 -10.232  11.565  30.655
  441   2HH2  ARG  28          2HH2      ARG  28  -8.857  12.669  30.648
  442    H    ARG  29           H        ARG  29 -17.351  13.745  33.687
  443    HA   ARG  29           HA       ARG  29 -16.757  16.063  35.307
  444   1HB   ARG  29          2HB       ARG  29 -19.189  15.426  33.589
  445   2HB   ARG  29          1HB       ARG  29 -18.787  17.015  34.254
  446   1HG   ARG  29          2HG       ARG  29 -16.670  17.052  32.969
  447   2HG   ARG  29          1HG       ARG  29 -17.019  15.446  32.315
  448   1HD   ARG  29          2HD       ARG  29 -19.137  16.377  31.313
  449   2HD   ARG  29          1HD       ARG  29 -18.597  17.991  31.828
  450    HE   ARG  29           HE       ARG  29 -16.624  16.475  30.268
  451   1HH1  ARG  29          1HH1      ARG  29 -19.368  18.616  29.852
  452   2HH1  ARG  29          2HH1      ARG  29 -18.843  19.103  28.259
  453   1HH2  ARG  29          1HH2      ARG  29 -15.994  17.178  28.321
  454   2HH2  ARG  29          2HH2      ARG  29 -16.979  18.296  27.409
  Start of MODEL   13
    1   1H5*    G   1          2H5*        G   1  12.040 -13.352  -0.913
    2   2H5*    G   1          1H5*        G   1  13.173 -12.209  -1.660
    3    H4*    G   1           H4*        G   1  12.253 -10.422  -0.110
    4    H3*    G   1           H3*        G   1  11.369 -11.152  -2.585
    5    H2*    G   1          1H2*        G   1   8.715 -11.197  -1.973
    6   2HO*    G   1          2HO*        G   1   8.852 -13.467  -2.026
    7    H1*    G   1           H1*        G   1   8.936 -10.765   0.271
    8    H8     G   1           H8         G   1   9.870 -13.538   2.182
    9    H1     G   1           H1         G   1   3.850 -14.235  -0.041
   10   1H2     G   1          1H2         G   1   3.614 -12.986  -1.858
   11   2H2     G   1          2H2         G   1   4.999 -12.117  -2.530
   12   1H5*    G   2          1H5*        G   2   6.615  -8.505  -3.005
   13   2H5*    G   2          2H5*        G   2   7.703  -7.124  -3.052
   14    H4*    G   2           H4*        G   2   8.525  -7.709  -0.757
   15    H3*    G   2           H3*        G   2   6.279  -6.332  -1.360
   16    H2*    G   2          1H2*        G   2   4.670  -7.778   0.382
   17   2HO*    G   2          2HO*        G   2   3.566  -8.405  -1.488
   18    H1*    G   2           H1*        G   2   5.435 -10.038  -1.210
   19    H8     G   2           H8         G   2   7.374 -10.261   1.894
   20    H1     G   2           H1         G   2   1.254 -12.237   2.505
   21   1H2     G   2          1H2         G   2   0.049 -11.335   0.876
   22   2H2     G   2          2H2         G   2   0.846 -10.372  -0.375
   23   1H5*    U   3          2H5*        U   3   4.037  -5.490  -0.658
   24   2H5*    U   3          1H5*        U   3   3.697  -3.885   0.004
   25    H4*    U   3           H4*        U   3   1.641  -5.241  -0.064
   26    H3*    U   3           H3*        U   3   2.783  -4.452   2.621
   27    H2*    U   3          1H2*        U   3   0.127  -5.791   2.610
   28   2HO*    U   3          2HO*        U   3   1.489  -4.817   4.380
   29    H1*    U   3           H1*        U   3   0.767  -7.730   1.760
   30    H3     U   3           H3         U   3   1.869 -10.082   5.530
   31    H5     U   3           H5         U   3   5.461  -8.226   4.364
   32    H6     U   3           H6         U   3   4.298  -7.161   2.565
   33   1H5*    U   4          1H5*        U   4  -1.553  -4.333   1.490
   34   2H5*    U   4          2H5*        U   4  -2.457  -2.949   2.120
   35    H4*    U   4           H4*        U   4  -3.774  -5.001   2.264
   36    H3*    U   4           H3*        U   4  -2.884  -3.966   4.969
   37    H2*    U   4          1H2*        U   4  -4.443  -5.589   5.868
   38   2HO*    U   4          2HO*        U   4  -5.953  -5.312   3.918
   39    H1*    U   4           H1*        U   4  -3.497  -7.605   4.321
   40    H3     U   4           H3         U   4  -1.775  -8.421   8.470
   41    H5     U   4           H5         U   4   0.865  -5.683   6.686
   42    H6     U   4           H6         U   4  -0.760  -5.315   4.948
   43   1H5*    C   5          1H5*        C   5  -7.134  -4.325   5.236
   44   2H5*    C   5          2H5*        C   5  -7.768  -3.123   6.365
   45    H4*    C   5           H4*        C   5  -8.280  -5.499   6.944
   46    H3*    C   5           H3*        C   5  -6.707  -3.880   8.954
   47    H2*    C   5          1H2*        C   5  -7.138  -5.742  10.466
   48   2HO*    C   5          2HO*        C   5  -9.317  -6.182   9.237
   49    H1*    C   5           H1*        C   5  -6.351  -7.616   8.658
   50   1H4     C   5          1H4         C   5  -0.850  -4.677  10.847
   51   2H4     C   5          2H4         C   5  -1.248  -5.998  11.956
   52    H5     C   5           H5         C   5  -2.371  -4.041   9.022
   53    H6     C   5           H6         C   5  -4.447  -4.588   7.943
   54   1H5*    A   6          1H5*        A   6  -9.879  -5.489  10.993
   55   2H5*    A   6          2H5*        A   6 -10.655  -4.383  12.123
   56    H4*    A   6           H4*        A   6  -9.797  -6.558  13.120
   57    H3*    A   6           H3*        A   6  -8.878  -3.913  14.218
   58    H2*    A   6          1H2*        A   6  -7.750  -5.173  15.924
   59   2HO*    A   6          2HO*        A   6  -9.507  -6.687  16.297
   60    H1*    A   6           H1*        A   6  -6.890  -7.220  14.277
   61    H8     A   6           H8         A   6  -6.226  -4.052  12.356
   62   1H6     A   6          1H6         A   6  -1.030  -3.835  15.903
   63   2H6     A   6          2H6         A   6  -1.739  -3.169  14.427
   64    H2     A   6           H2         A   6  -3.684  -6.797  17.588
   65   1H5*    C   7          1H5*        C   7  -9.849  -2.948  18.329
   66   2H5*    C   7          2H5*        C   7  -8.513  -3.406  17.271
   67    H4*    C   7           H4*        C   7  -9.326  -5.219  19.551
   68    H3*    C   7           H3*        C   7  -7.916  -2.571  19.766
   69    H2*    C   7          1H2*        C   7  -6.557  -3.496  21.536
   70   2HO*    C   7          2HO*        C   7  -8.178  -5.868  21.309
   71    H1*    C   7           H1*        C   7  -5.902  -5.747  20.137
   72   1H4     C   7          1H4         C   7  -2.420  -1.191  16.917
   73   2H4     C   7          2H4         C   7  -1.732  -1.252  18.537
   74    H5     C   7           H5         C   7  -4.524  -2.307  16.390
   75    H6     C   7           H6         C   7  -6.239  -3.800  17.251
   76   1H5*    C   8          1H5*        C   8  -8.954  -4.039  23.584
   77   2H5*    C   8          2H5*        C   8  -9.845  -2.902  24.597
   78    H4*    C   8           H4*        C   8  -7.956  -3.991  25.797
   79    H3*    C   8           H3*        C   8  -7.739  -1.014  25.346
   80    H2*    C   8          1H2*        C   8  -5.822  -1.049  26.777
   81   2HO*    C   8          2HO*        C   8  -6.661  -2.595  28.334
   82    H1*    C   8           H1*        C   8  -4.768  -3.331  25.651
   83   1H4     C   8          1H4         C   8  -3.350   1.945  21.906
   84   2H4     C   8          2H4         C   8  -1.852   1.244  22.519
   85    H5     C   8           H5         C   8  -5.498   1.025  22.455
   86    H6     C   8           H6         C   8  -6.633  -0.781  23.627
   87   1H5*    U   9          1H5*        U   9  -7.664   1.295  29.949
   88   2H5*    U   9          2H5*        U   9  -7.258   1.798  28.300
   89    H4*    U   9           H4*        U   9  -5.386   0.240  30.150
   90    H3*    U   9           H3*        U   9  -5.903   3.137  29.621
   91    H2*    U   9          1H2*        U   9  -3.781   3.709  29.018
   92   2HO*    U   9          2HO*        U   9  -2.921   2.727  31.073
   93    H1*    U   9           H1*        U   9  -2.803   1.184  28.164
   94    H3     U   9           H3         U   9  -1.880   3.914  24.620
   95    H5     U   9           H5         U   9  -5.898   2.922  24.228
   96    H6     U   9           H6         U   9  -5.885   1.944  26.432
   97   1H5*    C  10          1H5*        C  10  -5.649   6.280  31.527
   98   2H5*    C  10          2H5*        C  10  -5.068   5.390  30.110
   99    H4*    C  10           H4*        C  10  -3.198   6.913  31.962
  100    H3*    C  10           H3*        C  10  -4.647   7.931  29.493
  101    H2*    C  10          1H2*        C  10  -2.807   9.403  29.210
  102   2HO*    C  10          2HO*        C  10  -2.624   9.785  31.614
  103    H1*    C  10           H1*        C  10  -0.924   7.453  29.936
  104   1H4     C  10          1H4         C  10  -2.281   6.913  23.489
  105   2H4     C  10          2H4         C  10  -0.799   7.860  23.682
  106    H5     C  10           H5         C  10  -3.575   6.201  25.393
  107    H6     C  10           H6         C  10  -3.675   6.200  27.842
  108   1H5*    U  11          1H5*        U  11  -4.909  11.661  31.223
  109   2H5*    U  11          2H5*        U  11  -6.542  12.291  31.012
  110    H4*    U  11           H4*        U  11  -4.871  13.609  29.795
  111    H3*    U  11           H3*        U  11  -6.653  12.069  27.864
  112    H2*    U  11          1H2*        U  11  -5.536  13.334  26.163
  113   2HO*    U  11          2HO*        U  11  -5.433  15.250  27.841
  114    H1*    U  11           H1*        U  11  -3.029  13.077  27.324
  115    H3     U  11           H3         U  11  -2.716  10.703  23.472
  116    H5     U  11           H5         U  11  -5.657   8.625  25.595
  117    H6     U  11           H6         U  11  -5.413  10.208  27.444
  118   1H5*    A  12          1H5*        A  12 -11.260  15.098  27.543
  119   2H5*    A  12          2H5*        A  12 -10.394  13.634  27.117
  120    H4*    A  12           H4*        A  12 -10.483  15.511  25.415
  121    H3*    A  12           H3*        A  12  -7.783  14.379  26.149
  122    H2*    A  12          1H2*        A  12  -6.870  15.776  24.471
  123   2HO*    A  12          2HO*        A  12  -8.620  15.402  22.911
  124    H1*    A  12           H1*        A  12  -8.390  17.994  25.052
  125    H8     A  12           H8         A  12  -7.609  16.789  28.456
  126   1H6     A  12          1H6         A  12  -3.004  18.738  28.777
  127   2H6     A  12          2H6         A  12  -1.988  19.432  27.506
  128    H2     A  12           H2         A  12  -3.982  19.235  23.713
  129   1H5*    A  13          1H5*        A  13  -5.657  12.010  22.364
  130   2H5*    A  13          2H5*        A  13  -5.156  12.665  23.942
  131    H4*    A  13           H4*        A  13  -5.313  14.302  21.382
  132    H3*    A  13           H3*        A  13  -2.896  13.186  22.845
  133    H2*    A  13          1H2*        A  13  -1.722  14.961  21.729
  134   2HO*    A  13          2HO*        A  13  -2.672  16.267  20.151
  135    H1*    A  13           H1*        A  13  -3.772  16.776  22.311
  136    H8     A  13           H8         A  13  -3.335  14.834  25.432
  137   1H6     A  13          1H6         A  13   0.742  17.211  27.137
  138   2H6     A  13          2H6         A  13   1.837  18.302  26.277
  139    H2     A  13           H2         A  13   0.553  18.810  22.206
  140   1H5*    C  14          1H5*        C  14  -1.522  13.965  19.052
  141   2H5*    C  14          2H5*        C  14  -0.300  12.814  18.508
  142    H4*    C  14           H4*        C  14   0.440  15.206  18.466
  143    H3*    C  14           H3*        C  14   1.956  13.253  20.167
  144    H2*    C  14          1H2*        C  14   3.542  14.964  20.655
  145   2HO*    C  14          2HO*        C  14   3.305  15.887  18.376
  146    H1*    C  14           H1*        C  14   1.691  16.904  21.136
  147   1H4     C  14          1H4         C  14   1.734  13.199  26.576
  148   2H4     C  14          2H4         C  14   3.107  14.304  26.685
  149    H5     C  14           H5         C  14   0.355  13.072  24.555
  150    H6     C  14           H6         C  14   0.083  13.923  22.340
  151   1H5*    C  15          1H5*        C  15   5.193  14.080  19.423
  152   2H5*    C  15          2H5*        C  15   6.212  12.748  18.859
  153    H4*    C  15           H4*        C  15   6.830  13.369  21.142
  154    H3*    C  15           H3*        C  15   5.409  10.701  20.946
  155    H2*    C  15          1H2*        C  15   5.957  10.385  23.264
  156   2HO*    C  15          2HO*        C  15   8.104  11.406  23.140
  157    H1*    C  15           H1*        C  15   5.185  12.892  24.015
  158   1H4     C  15          1H4         C  15  -0.572  10.131  23.200
  159   2H4     C  15          2H4         C  15  -0.081   9.555  24.822
  160    H5     C  15           H5         C  15   0.929  10.806  21.563
  161    H6     C  15           H6         C  15   3.090  11.839  21.236
  162   1H5*    G  16          1H5*        G  16   7.968   6.765  22.238
  163   2H5*    G  16          2H5*        G  16   6.290   7.232  21.897
  164    H4*    G  16           H4*        G  16   7.652   7.763  24.568
  165    H3*    G  16           H3*        G  16   5.948   5.435  23.641
  166    H2*    G  16          1H2*        G  16   5.216   5.237  25.937
  167   2HO*    G  16          2HO*        G  16   7.396   6.005  26.791
  168    H1*    G  16           H1*        G  16   4.607   7.894  26.109
  169    H8     G  16           H8         G  16   3.849   7.368  22.533
  170    H1     G  16           H1         G  16  -0.198   4.035  26.295
  171   1H2     G  16          1H2         G  16   2.013   4.951  28.761
  172   2H2     G  16          2H2         G  16   0.528   4.088  28.374
  173   1H5*    G  17          1H5*        G  17   7.404   3.746  27.017
  174   2H5*    G  17          2H5*        G  17   8.239   2.239  26.670
  175    H4*    G  17           H4*        G  17   6.589   1.897  28.423
  176    H3*    G  17           H3*        G  17   5.713   0.609  25.817
  177    H2*    G  17          1H2*        G  17   3.877  -0.307  27.033
  178   2HO*    G  17          2HO*        G  17   5.151  -0.591  29.070
  179    H1*    G  17           H1*        G  17   3.184   2.059  28.146
  180    H8     G  17           H8         G  17   4.458   3.200  24.840
  181    H1     G  17           H1         G  17  -1.078  -0.069  24.431
  182   1H2     G  17          1H2         G  17  -1.361  -1.243  26.286
  183   2H2     G  17          2H2         G  17  -0.249  -1.036  27.645
  184   1H5*    G  18          1H5*        G  18   7.315  -2.887  24.260
  185   2H5*    G  18          2H5*        G  18   6.524  -1.711  23.218
  186    H4*    G  18           H4*        G  18   5.427  -2.605  25.931
  187    H3*    G  18           H3*        G  18   4.892  -3.461  23.078
  188    H2*    G  18          1H2*        G  18   2.667  -4.027  23.758
  189   2HO*    G  18          2HO*        G  18   3.295  -4.884  25.888
  190    H1*    G  18           H1*        G  18   2.334  -1.723  25.230
  191    H8     G  18           H8         G  18   4.004  -0.088  22.531
  192    H1     G  18           H1         G  18  -1.802  -2.251  20.702
  193   1H2     G  18          1H2         G  18  -2.534  -3.716  22.186
  194   2H2     G  18          2H2         G  18  -1.566  -4.036  23.631
  195   1H5*    U  19          1H5*        U  19   3.875  -8.243  22.503
  196   2H5*    U  19          2H5*        U  19   3.392  -6.752  21.678
  197    H4*    U  19           H4*        U  19   1.726  -8.236  23.766
  198    H3*    U  19           H3*        U  19   1.756  -8.154  20.742
  199    H2*    U  19          1H2*        U  19  -0.628  -8.440  20.742
  200   2HO*    U  19          2HO*        U  19  -0.459  -9.759  22.871
  201    H1*    U  19           H1*        U  19  -1.054  -6.420  22.514
  202    H3     U  19           H3         U  19  -1.529  -5.189  17.958
  203    H5     U  19           H5         U  19   2.008  -3.500  19.428
  204    H6     U  19           H6         U  19   1.825  -4.882  21.400
  205   1H5*    G  20          1H5*        G  20  -0.869 -11.285  21.523
  206   2H5*    G  20          2H5*        G  20  -0.393 -12.757  20.672
  207    H4*    G  20           H4*        G  20  -2.764 -12.152  20.326
  208    H3*    G  20           H3*        G  20  -1.006 -12.074  17.864
  209    H2*    G  20          1H2*        G  20  -3.095 -11.863  16.626
  210   2HO*    G  20          2HO*        G  20  -4.281 -13.235  18.336
  211    H1*    G  20           H1*        G  20  -4.001  -9.850  18.200
  212    H8     G  20           H8         G  20  -0.329  -9.201  18.276
  213    H1     G  20           H1         G  20  -3.108  -7.615  12.670
  214   1H2     G  20          1H2         G  20  -5.100  -8.603  12.550
  215   2H2     G  20          2H2         G  20  -5.696  -9.535  13.930
  216   1H5*    A  21          1H5*        A  21  -4.271 -14.655  16.934
  217   2H5*    A  21          2H5*        A  21  -3.732 -16.071  16.028
  218    H4*    A  21           H4*        A  21  -5.553 -14.822  14.902
  219    H3*    A  21           H3*        A  21  -2.895 -14.882  13.456
  220    H2*    A  21          1H2*        A  21  -4.088 -13.931  11.585
  221   2HO*    A  21          2HO*        A  21  -6.083 -15.055  11.784
  222    H1*    A  21           H1*        A  21  -5.315 -12.025  13.087
  223    H8     A  21           H8         A  21  -1.939 -12.428  14.700
  224   1H6     A  21          1H6         A  21   0.061  -8.737  10.040
  225   2H6     A  21          2H6         A  21   0.542  -9.455  11.578
  226    H2     A  21           H2         A  21  -3.952 -10.042   9.062
  227   1H5*    G  22          1H5*        G  22  -4.823 -17.465   8.986
  228   2H5*    G  22          2H5*        G  22  -3.525 -16.279   9.230
  229    H4*    G  22           H4*        G  22  -6.467 -15.548   8.934
  230    H3*    G  22           H3*        G  22  -4.223 -15.756   6.941
  231    H2*    G  22          1H2*        G  22  -4.935 -13.736   5.871
  232   2HO*    G  22          2HO*        G  22  -7.317 -14.381   6.447
  233    H1*    G  22           H1*        G  22  -5.287 -12.296   8.145
  234    H8     G  22           H8         G  22  -2.488 -14.117   9.516
  235    H1     G  22           H1         G  22  -0.602 -10.114   4.823
  236   1H2     G  22          1H2         G  22  -3.936 -10.255   3.972
  237   2H2     G  22          2H2         G  22  -2.332  -9.677   3.513
  238   1H5*    C  23          2H5*        C  23  -7.049 -14.805   4.290
  239   2H5*    C  23          1H5*        C  23  -7.166 -15.991   2.981
  240    H4*    C  23           H4*        C  23  -6.662 -13.792   2.073
  241    H3*    C  23           H3*        C  23  -4.348 -15.741   1.934
  242    H2*    C  23          1H2*        C  23  -3.221 -14.089   0.579
  243   2HO*    C  23          2HO*        C  23  -5.389 -13.382  -0.404
  244    H1*    C  23           H1*        C  23  -3.839 -12.014   2.232
  245   1H4     C  23          1H4         C  23   0.936 -14.813   5.703
  246   2H4     C  23          2H4         C  23   1.678 -13.694   4.553
  247    H5     C  23           H5         C  23  -1.437 -15.353   5.601
  248    H6     C  23           H6         C  23  -3.506 -14.879   4.436
  249   1H5*    C  24          1H5*        C  24  -4.837 -14.377  -2.115
  250   2H5*    C  24          2H5*        C  24  -4.697 -15.758  -3.209
  251    H4*    C  24           H4*        C  24  -3.095 -14.015  -3.817
  252    H3*    C  24           H3*        C  24  -1.820 -16.504  -2.633
  253    H2*    C  24          1H2*        C  24   0.280 -15.573  -3.258
  254   2HO*    C  24          2HO*        C  24  -0.567 -14.697  -5.347
  255    H1*    C  24           H1*        C  24  -0.374 -13.001  -2.446
  256   1H4     C  24          1H4         C  24   1.657 -16.443   2.825
  257   2H4     C  24          2H4         C  24   3.037 -15.590   2.118
  258    H5     C  24           H5         C  24  -0.524 -16.432   1.723
  259    H6     C  24           H6         C  24  -1.753 -15.598  -0.219
  260   1H    GLU   8          1H        GLU   8 -13.420   4.556  12.749
  261   2H    GLU   8          2H        GLU   8 -12.097   5.222  13.460
  262   3H    GLU   8          3H        GLU   8 -11.923   4.302  12.124
  263    HA   GLU   8           HA       GLU   8 -13.119   5.908  10.784
  264   1HB   GLU   8          2HB       GLU   8 -14.526   6.729  12.673
  265   2HB   GLU   8          1HB       GLU   8 -13.130   7.598  13.321
  266   1HG   GLU   8          2HG       GLU   8 -13.013   8.967  11.260
  267   2HG   GLU   8          1HG       GLU   8 -14.333   8.032  10.547
  268    H    SER   9           H        SER   9 -11.743   6.997   9.485
  269    HA   SER   9           HA       SER   9  -9.824   7.652   8.530
  270   1HB   SER   9          2HB       SER   9  -9.777   9.509  10.105
  271   2HB   SER   9          1HB       SER   9  -8.875   8.529  11.275
  272    HG   SER   9           HG       SER   9  -7.591   9.930   9.883
  273    H    LYS  10           H        LYS  10  -9.027   5.999  11.561
  274    HA   LYS  10           HA       LYS  10  -7.326   3.993  10.134
  275   1HB   LYS  10          2HB       LYS  10  -6.659   5.346  12.778
  276   2HB   LYS  10          1HB       LYS  10  -5.672   4.123  11.980
  277   1HG   LYS  10          2HG       LYS  10  -6.219   6.938  10.939
  278   2HG   LYS  10          1HG       LYS  10  -4.769   6.424  11.776
  279   1HD   LYS  10          2HD       LYS  10  -4.059   5.009  10.010
  280   2HD   LYS  10          1HD       LYS  10  -5.611   5.068   9.180
  281   1HE   LYS  10          2HE       LYS  10  -3.840   7.513   9.595
  282   2HE   LYS  10          1HE       LYS  10  -3.763   6.473   8.169
  283   1HZ   LYS  10          1HZ       LYS  10  -5.217   8.325   7.720
  284   2HZ   LYS  10          2HZ       LYS  10  -6.160   8.023   9.017
  285   3HZ   LYS  10          3HZ       LYS  10  -6.136   6.973   7.776
  286    H    GLY  11           H        GLY  11  -6.840   2.140  11.656
  287   1HA   GLY  11          2HA       GLY  11  -9.317   1.325  13.169
  288   2HA   GLY  11          1HA       GLY  11  -8.432   0.270  12.078
  289    H    THR  12           H        THR  12  -6.063   1.955  13.781
  290    HA   THR  12           HA       THR  12  -5.444  -0.384  15.419
  291    HB   THR  12           HB       THR  12  -3.491   0.930  16.170
  292    HG1  THR  12           HG1      THR  12  -3.181   2.990  15.191
  293   1HG2  THR  12          1HG2      THR  12  -3.360  -0.272  13.991
  294   2HG2  THR  12          2HG2      THR  12  -2.329   1.168  14.055
  295   3HG2  THR  12          3HG2      THR  12  -3.860   1.218  13.159
  296    H    ALA  13           H        ALA  13  -5.102  -0.401  17.707
  297    HA   ALA  13           HA       ALA  13  -7.281   0.720  19.156
  298   1HB   ALA  13          1HB       ALA  13  -6.080  -1.417  19.586
  299   2HB   ALA  13          2HB       ALA  13  -6.413  -0.445  20.999
  300   3HB   ALA  13          3HB       ALA  13  -4.758  -0.478  20.318
  301    H    LYS  14           H        LYS  14  -3.929   1.815  18.820
  302    HA   LYS  14           HA       LYS  14  -3.949   4.030  20.670
  303   1HB   LYS  14          2HB       LYS  14  -2.461   3.555  18.052
  304   2HB   LYS  14          1HB       LYS  14  -2.235   4.998  19.041
  305   1HG   LYS  14          2HG       LYS  14  -1.523   3.620  20.961
  306   2HG   LYS  14          1HG       LYS  14  -1.694   2.150  19.976
  307   1HD   LYS  14          2HD       LYS  14  -0.009   2.944  18.400
  308   2HD   LYS  14          1HD       LYS  14   0.134   4.492  19.241
  309   1HE   LYS  14          2HE       LYS  14   0.768   1.795  20.515
  310   2HE   LYS  14          1HE       LYS  14   1.970   2.792  19.691
  311   1HZ   LYS  14          1HZ       LYS  14   1.974   3.182  22.082
  312   2HZ   LYS  14          2HZ       LYS  14   0.420   3.628  22.082
  313   3HZ   LYS  14          3HZ       LYS  14   1.534   4.565  21.322
  314    H    SER  15           H        SER  15  -5.302   3.736  17.439
  315    HA   SER  15           HA       SER  15  -6.111   6.561  17.276
  316   1HB   SER  15          2HB       SER  15  -6.997   4.209  15.557
  317   2HB   SER  15          1HB       SER  15  -7.255   5.932  15.240
  318    HG   SER  15           HG       SER  15  -4.856   4.433  15.203
  319    H    ARG  16           H        ARG  16  -7.806   3.439  17.690
  320    HA   ARG  16           HA       ARG  16 -10.467   4.335  18.035
  321   1HB   ARG  16          2HB       ARG  16  -9.001   1.969  19.258
  322   2HB   ARG  16          1HB       ARG  16 -10.739   2.188  19.373
  323   1HG   ARG  16          2HG       ARG  16 -11.112   1.837  17.085
  324   2HG   ARG  16          1HG       ARG  16  -9.432   2.117  16.640
  325   1HD   ARG  16          2HD       ARG  16 -10.084  -0.286  16.533
  326   2HD   ARG  16          1HD       ARG  16  -8.716   0.029  17.585
  327    HE   ARG  16           HE       ARG  16  -9.960  -0.492  19.491
  328   1HH1  ARG  16          1HH1      ARG  16 -11.801  -1.304  16.718
  329   2HH1  ARG  16          2HH1      ARG  16 -13.274  -1.621  17.582
  330   1HH2  ARG  16          1HH2      ARG  16 -11.757  -1.310  20.640
  331   2HH2  ARG  16          2HH2      ARG  16 -13.193  -1.712  19.747
  332    H    TYR  17           H        TYR  17  -7.932   4.132  20.509
  333    HA   TYR  17           HA       TYR  17  -9.544   4.552  22.766
  334   1HB   TYR  17          2HB       TYR  17  -7.122   3.879  22.648
  335   2HB   TYR  17          1HB       TYR  17  -6.705   5.568  22.395
  336    HD1  TYR  17           HD1      TYR  17  -8.914   3.558  24.711
  337    HD2  TYR  17           HD2      TYR  17  -5.875   6.588  24.356
  338    HE1  TYR  17           HE1      TYR  17  -8.778   3.677  27.180
  339    HE2  TYR  17           HE2      TYR  17  -5.748   6.713  26.862
  340    HH   TYR  17           HH       TYR  17  -7.819   4.743  28.981
  341    H    LYS  18           H        LYS  18  -8.469   7.005  20.452
  342    HA   LYS  18           HA       LYS  18  -8.997   9.349  22.056
  343   1HB   LYS  18          2HB       LYS  18  -8.998   8.837  19.056
  344   2HB   LYS  18          1HB       LYS  18  -9.555  10.364  19.711
  345   1HG   LYS  18          2HG       LYS  18  -7.252  10.526  19.009
  346   2HG   LYS  18          1HG       LYS  18  -7.425  10.844  20.735
  347   1HD   LYS  18          2HD       LYS  18  -6.485   8.686  21.310
  348   2HD   LYS  18          1HD       LYS  18  -6.515   8.166  19.604
  349   1HE   LYS  18          2HE       LYS  18  -4.903   9.893  18.999
  350   2HE   LYS  18          1HE       LYS  18  -4.944  10.569  20.632
  351   1HZ   LYS  18          1HZ       LYS  18  -4.036   7.813  20.032
  352   2HZ   LYS  18          2HZ       LYS  18  -3.942   8.598  21.478
  353   3HZ   LYS  18          3HZ       LYS  18  -3.032   9.125  20.210
  354    H    ALA  19           H        ALA  19 -11.177   7.369  20.039
  355    HA   ALA  19           HA       ALA  19 -13.534   8.952  20.499
  356   1HB   ALA  19          1HB       ALA  19 -13.342   7.256  18.705
  357   2HB   ALA  19          2HB       ALA  19 -14.754   6.975  19.740
  358   3HB   ALA  19          3HB       ALA  19 -13.309   5.964  19.927
  359    H    ARG  20           H        ARG  20 -12.185   6.157  22.269
  360    HA   ARG  20           HA       ARG  20 -14.243   5.991  24.276
  361   1HB   ARG  20          2HB       ARG  20 -11.339   5.069  24.500
  362   2HB   ARG  20          1HB       ARG  20 -12.681   4.622  25.558
  363   1HG   ARG  20          2HG       ARG  20 -13.859   3.833  23.351
  364   2HG   ARG  20          1HG       ARG  20 -12.235   3.842  22.660
  365   1HD   ARG  20          2HD       ARG  20 -13.116   2.302  25.147
  366   2HD   ARG  20          1HD       ARG  20 -13.038   1.616  23.534
  367    HE   ARG  20           HE       ARG  20 -10.838   1.976  25.374
  368   1HH1  ARG  20          1HH1      ARG  20 -11.460   1.722  21.928
  369   2HH1  ARG  20          2HH1      ARG  20  -9.968   0.815  21.703
  370   1HH2  ARG  20          1HH2      ARG  20  -9.035   0.902  24.962
  371   2HH2  ARG  20          2HH2      ARG  20  -8.636   0.464  23.297
  372    H    ARG  21           H        ARG  21 -11.178   7.786  24.328
  373    HA   ARG  21           HA       ARG  21 -11.602   9.021  26.938
  374   1HB   ARG  21          2HB       ARG  21  -9.926   9.897  24.552
  375   2HB   ARG  21          1HB       ARG  21  -9.917  10.702  26.114
  376   1HG   ARG  21          2HG       ARG  21  -8.904   7.916  25.472
  377   2HG   ARG  21          1HG       ARG  21  -7.982   9.319  25.983
  378   1HD   ARG  21          2HD       ARG  21  -9.866   7.617  27.624
  379   2HD   ARG  21          1HD       ARG  21  -8.120   7.811  27.826
  380    HE   ARG  21           HE       ARG  21  -9.023  10.387  28.239
  381   1HH1  ARG  21          1HH1      ARG  21  -9.888   7.378  29.782
  382   2HH1  ARG  21          2HH1      ARG  21 -10.480   8.192  31.206
  383   1HH2  ARG  21          1HH2      ARG  21  -9.623  11.294  29.975
  384   2HH2  ARG  21          2HH2      ARG  21 -10.256  10.416  31.372
  385    H    ALA  22           H        ALA  22 -12.339  10.189  23.634
  386    HA   ALA  22           HA       ALA  22 -13.181  12.751  24.342
  387   1HB   ALA  22          1HB       ALA  22 -14.104  11.018  22.018
  388   2HB   ALA  22          2HB       ALA  22 -12.677  12.085  22.054
  389   3HB   ALA  22          3HB       ALA  22 -14.304  12.779  22.135
  390    H    GLU  23           H        GLU  23 -15.048   9.807  24.777
  391    HA   GLU  23           HA       GLU  23 -17.663  10.924  25.059
  392   1HB   GLU  23          2HB       GLU  23 -16.313   8.586  26.459
  393   2HB   GLU  23          1HB       GLU  23 -18.022   8.964  26.644
  394   1HG   GLU  23          2HG       GLU  23 -16.730   8.381  23.948
  395   2HG   GLU  23          1HG       GLU  23 -17.475   7.159  24.959
  396    H    LEU  24           H        LEU  24 -14.894  11.199  27.221
  397    HA   LEU  24           HA       LEU  24 -16.340  12.079  29.563
  398   1HB   LEU  24          2HB       LEU  24 -14.030  11.203  29.612
  399   2HB   LEU  24          1HB       LEU  24 -13.480  12.572  28.643
  400    HG   LEU  24           HG       LEU  24 -13.998  14.136  30.472
  401   1HD1  LEU  24          1HD1      LEU  24 -14.545  13.261  32.735
  402   2HD1  LEU  24          2HD1      LEU  24 -14.787  11.641  32.045
  403   3HD1  LEU  24          3HD1      LEU  24 -15.864  12.983  31.597
  404   1HD2  LEU  24          1HD2      LEU  24 -12.242  13.417  32.008
  405   2HD2  LEU  24          2HD2      LEU  24 -11.780  13.066  30.333
  406   3HD2  LEU  24          3HD2      LEU  24 -12.351  11.755  31.390
  407    H    ILE  25           H        ILE  25 -15.342  13.743  26.619
  408    HA   ILE  25           HA       ILE  25 -15.177  16.399  27.650
  409    HB   ILE  25           HB       ILE  25 -15.801  15.497  24.815
  410   1HG1  ILE  25          2HG1      ILE  25 -13.102  16.227  26.066
  411   2HG1  ILE  25          1HG1      ILE  25 -13.644  14.574  25.806
  412   1HG2  ILE  25          1HG2      ILE  25 -14.867  17.713  24.136
  413   2HG2  ILE  25          2HG2      ILE  25 -14.742  18.168  25.849
  414   3HG2  ILE  25          3HG2      ILE  25 -16.323  17.884  25.085
  415   1HD1  ILE  25          1HD1      ILE  25 -13.852  15.080  23.335
  416   2HD1  ILE  25          2HD1      ILE  25 -12.210  15.055  23.999
  417   3HD1  ILE  25          3HD1      ILE  25 -12.989  16.604  23.658
  418    H    ALA  26           H        ALA  26 -17.969  14.499  26.787
  419    HA   ALA  26           HA       ALA  26 -19.949  16.554  26.590
  420   1HB   ALA  26          1HB       ALA  26 -21.519  14.700  26.991
  421   2HB   ALA  26          2HB       ALA  26 -20.183  13.664  27.532
  422   3HB   ALA  26          3HB       ALA  26 -20.256  14.218  25.842
  423    H    GLU  27           H        GLU  27 -18.229  15.434  29.378
  424    HA   GLU  27           HA       GLU  27 -20.040  17.012  31.194
  425   1HB   GLU  27          2HB       GLU  27 -18.579  14.419  31.826
  426   2HB   GLU  27          1HB       GLU  27 -19.418  15.440  33.003
  427   1HG   GLU  27          2HG       GLU  27 -21.545  15.137  31.710
  428   2HG   GLU  27          1HG       GLU  27 -20.709  14.011  30.639
  429    H    ARG  28           H        ARG  28 -16.726  16.019  30.499
  430    HA   ARG  28           HA       ARG  28 -14.675  16.799  31.022
  431   1HB   ARG  28          2HB       ARG  28 -16.251  18.887  29.971
  432   2HB   ARG  28          1HB       ARG  28 -15.343  19.646  31.251
  433   1HG   ARG  28          2HG       ARG  28 -14.190  18.039  28.918
  434   2HG   ARG  28          1HG       ARG  28 -14.275  19.786  29.046
  435   1HD   ARG  28          2HD       ARG  28 -12.171  19.656  29.749
  436   2HD   ARG  28          1HD       ARG  28 -12.864  19.297  31.314
  437    HE   ARG  28           HE       ARG  28 -11.794  17.302  29.320
  438   1HH1  ARG  28          1HH1      ARG  28 -12.429  17.924  32.722
  439   2HH1  ARG  28          2HH1      ARG  28 -11.326  16.661  33.209
  440   1HH2  ARG  28          1HH2      ARG  28 -10.452  15.714  30.032
  441   2HH2  ARG  28          2HH2      ARG  28 -10.282  15.438  31.724
  442    H    ARG  29           H        ARG  29 -16.405  16.240  33.398
  443    HA   ARG  29           HA       ARG  29 -14.583  17.292  35.509
  444   1HB   ARG  29          2HB       ARG  29 -17.632  17.331  35.646
  445   2HB   ARG  29          1HB       ARG  29 -16.564  17.639  37.009
  446   1HG   ARG  29          2HG       ARG  29 -16.728  19.359  34.491
  447   2HG   ARG  29          1HG       ARG  29 -17.503  19.704  36.034
  448   1HD   ARG  29          2HD       ARG  29 -15.310  19.830  37.149
  449   2HD   ARG  29          1HD       ARG  29 -14.486  19.480  35.632
  450    HE   ARG  29           HE       ARG  29 -15.774  22.002  36.436
  451   1HH1  ARG  29          1HH1      ARG  29 -14.371  20.291  33.699
  452   2HH1  ARG  29          2HH1      ARG  29 -14.124  21.786  32.823
  453   1HH2  ARG  29          1HH2      ARG  29 -15.446  23.812  35.247
  454   2HH2  ARG  29          2HH2      ARG  29 -14.728  23.703  33.663
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  18.335  -6.876   5.653
    2   2H5*    G   1          2H5*        G   1  17.541  -8.133   6.621
    3    H4*    G   1           H4*        G   1  18.014  -8.366   3.621
    4    H3*    G   1           H3*        G   1  16.478  -6.615   3.641
    5    H2*    G   1          1H2*        G   1  14.282  -8.251   3.361
    6   2HO*    G   1          2HO*        G   1  15.134  -8.758   1.327
    7    H1*    G   1           H1*        G   1  15.955 -10.485   2.925
    8    H8     G   1           H8         G   1  15.280 -10.494   6.558
    9    H1     G   1           H1         G   1  10.137 -12.277   3.087
   10   1H2     G   1          1H2         G   1  10.425 -11.608   0.995
   11   2H2     G   1          2H2         G   1  11.956 -10.870   0.499
   12   1H5*    G   2          1H5*        G   2  14.566  -5.862   2.551
   13   2H5*    G   2          2H5*        G   2  13.685  -4.374   2.904
   14    H4*    G   2           H4*        G   2  12.755  -5.602   0.976
   15    H3*    G   2           H3*        G   2  10.959  -5.414   3.405
   16    H2*    G   2          1H2*        G   2   9.225  -6.356   1.998
   17   2HO*    G   2          2HO*        G   2  10.190  -5.196   0.008
   18    H1*    G   2           H1*        G   2  10.786  -8.373   1.079
   19    H8     G   2           H8         G   2  12.081  -7.940   4.560
   20    H1     G   2           H1         G   2   6.228 -10.654   4.320
   21   1H2     G   2          1H2         G   2   5.375 -10.343   2.294
   22   2H2     G   2          2H2         G   2   6.340  -9.527   1.053
   23   1H5*    U   3          1H5*        U   3   8.256  -4.383   0.690
   24   2H5*    U   3          2H5*        U   3   7.416  -2.894   1.136
   25    H4*    U   3           H4*        U   3   5.843  -4.754   0.841
   26    H3*    U   3           H3*        U   3   6.142  -3.825   3.706
   27    H2*    U   3          1H2*        U   3   4.202  -5.180   4.155
   28   2HO*    U   3          2HO*        U   3   2.784  -5.268   2.543
   29    H1*    U   3           H1*        U   3   5.175  -7.317   2.738
   30    H3     U   3           H3         U   3   5.327  -8.330   7.210
   31    H5     U   3           H5         U   3   8.791  -6.091   6.529
   32    H6     U   3           H6         U   3   8.013  -5.619   4.263
   33   1H5*    U   4          1H5*        U   4   2.068  -3.347   2.036
   34   2H5*    U   4          2H5*        U   4   1.220  -1.974   2.761
   35    H4*    U   4           H4*        U   4  -0.113  -4.062   2.852
   36    H3*    U   4           H3*        U   4   0.807  -2.994   5.535
   37    H2*    U   4          1H2*        U   4  -0.707  -4.603   6.490
   38   2HO*    U   4          2HO*        U   4  -2.435  -4.412   4.963
   39    H1*    U   4           H1*        U   4   0.102  -6.622   4.804
   40    H3     U   4           H3         U   4   1.585  -7.653   9.008
   41    H5     U   4           H5         U   4   4.252  -4.709   7.708
   42    H6     U   4           H6         U   4   2.859  -4.361   5.733
   43   1H5*    C   5          1H5*        C   5  -3.674  -1.948   7.995
   44   2H5*    C   5          2H5*        C   5  -2.091  -2.601   8.450
   45    H4*    C   5           H4*        C   5  -4.406  -4.322   7.460
   46    H3*    C   5           H3*        C   5  -3.525  -3.440  10.208
   47    H2*    C   5          1H2*        C   5  -4.211  -5.559  11.082
   48   2HO*    C   5          2HO*        C   5  -6.025  -5.703   9.375
   49    H1*    C   5           H1*        C   5  -2.892  -6.992   9.189
   50   1H4     C   5          1H4         C   5   2.290  -4.874  12.556
   51   2H4     C   5          2H4         C   5   1.481  -6.052  13.601
   52    H5     C   5           H5         C   5   1.273  -4.094  10.508
   53    H6     C   5           H6         C   5  -0.659  -4.293   9.065
   54   1H5*    A   6          1H5*        A   6  -7.049  -4.996  11.127
   55   2H5*    A   6          2H5*        A   6  -8.043  -3.929  12.126
   56    H4*    A   6           H4*        A   6  -7.634  -6.103  13.202
   57    H3*    A   6           H3*        A   6  -6.306  -3.748  14.569
   58    H2*    A   6          1H2*        A   6  -5.872  -5.279  16.376
   59   2HO*    A   6          2HO*        A   6  -7.804  -6.509  16.347
   60    H1*    A   6           H1*        A   6  -4.921  -7.225  14.722
   61    H8     A   6           H8         A   6  -3.755  -4.048  13.086
   62   1H6     A   6          1H6         A   6   0.670  -4.128  17.570
   63   2H6     A   6          2H6         A   6   0.247  -3.357  16.038
   64    H2     A   6           H2         A   6  -2.375  -7.021  18.615
   65   1H5*    C   7          1H5*        C   7  -9.754  -4.649  18.999
   66   2H5*    C   7          2H5*        C   7  -8.259  -3.711  18.986
   67    H4*    C   7           H4*        C   7  -8.617  -6.631  19.671
   68    H3*    C   7           H3*        C   7  -7.529  -4.089  20.928
   69    H2*    C   7          1H2*        C   7  -6.046  -5.317  22.266
   70   2HO*    C   7          2HO*        C   7  -7.643  -7.164  22.512
   71    H1*    C   7           H1*        C   7  -5.135  -6.873  20.221
   72   1H4     C   7          1H4         C   7  -2.059  -1.458  18.396
   73   2H4     C   7          2H4         C   7  -1.179  -2.109  19.786
   74    H5     C   7           H5         C   7  -4.267  -2.292  17.792
   75    H6     C   7           H6         C   7  -5.935  -3.975  18.294
   76   1H5*    C   8          1H5*        C   8  -8.096  -5.458  24.446
   77   2H5*    C   8          2H5*        C   8  -9.224  -4.457  25.361
   78    H4*    C   8           H4*        C   8  -7.153  -4.592  26.558
   79    H3*    C   8           H3*        C   8  -7.470  -1.877  25.251
   80    H2*    C   8          1H2*        C   8  -5.556  -1.230  26.515
   81   2HO*    C   8          2HO*        C   8  -6.124  -2.266  28.514
   82    H1*    C   8           H1*        C   8  -4.225  -3.654  26.161
   83   1H4     C   8          1H4         C   8  -2.545  -0.299  20.864
   84   2H4     C   8          2H4         C   8  -1.368   0.107  22.113
   85    H5     C   8           H5         C   8  -4.627  -1.361  21.356
   86    H6     C   8           H6         C   8  -5.846  -2.624  23.064
   87   1H5*    U   9          1H5*        U   9  -7.587   1.457  29.376
   88   2H5*    U   9          2H5*        U   9  -7.235   1.597  27.645
   89    H4*    U   9           H4*        U   9  -5.226   0.671  29.751
   90    H3*    U   9           H3*        U   9  -5.731   3.310  28.374
   91    H2*    U   9          1H2*        U   9  -3.409   3.712  28.219
   92   2HO*    U   9          2HO*        U   9  -2.866   2.998  30.381
   93    H1*    U   9           H1*        U   9  -2.683   1.091  27.635
   94    H3     U   9           H3         U   9  -1.677   3.544  23.912
   95    H5     U   9           H5         U   9  -5.784   2.843  23.610
   96    H6     U   9           H6         U   9  -5.768   1.884  25.849
   97   1H5*    C  10          1H5*        C  10  -4.009   7.176  30.924
   98   2H5*    C  10          2H5*        C  10  -4.122   6.700  29.221
   99    H4*    C  10           H4*        C  10  -1.607   6.522  30.924
  100    H3*    C  10           H3*        C  10  -2.664   8.637  29.072
  101    H2*    C  10          1H2*        C  10  -0.503   9.030  28.198
  102   2HO*    C  10          2HO*        C  10   0.583   8.796  30.339
  103    H1*    C  10           H1*        C  10   0.256   6.414  28.009
  104   1H4     C  10          1H4         C  10  -3.065   5.937  22.615
  105   2H4     C  10          2H4         C  10  -1.645   6.915  22.234
  106    H5     C  10           H5         C  10  -3.869   5.765  24.910
  107    H6     C  10           H6         C  10  -3.186   5.984  27.226
  108   1H5*    U  11          1H5*        U  11  -5.341  10.790  30.648
  109   2H5*    U  11          2H5*        U  11  -4.305   9.719  29.727
  110    H4*    U  11           H4*        U  11  -4.021  12.729  29.483
  111    H3*    U  11           H3*        U  11  -6.133  11.037  28.125
  112    H2*    U  11          1H2*        U  11  -5.919  12.497  26.272
  113   2HO*    U  11          2HO*        U  11  -6.038  14.427  27.683
  114    H1*    U  11           H1*        U  11  -3.172  13.074  26.803
  115    H3     U  11           H3         U  11  -2.736  11.860  22.479
  116    H5     U  11           H5         U  11  -4.302   8.407  24.268
  117    H6     U  11           H6         U  11  -4.356   9.577  26.427
  118   1H5*    A  12          1H5*        A  12 -10.007  14.944  28.312
  119   2H5*    A  12          2H5*        A  12  -9.864  13.854  26.922
  120    H4*    A  12           H4*        A  12 -10.148  16.136  26.137
  121    H3*    A  12           H3*        A  12  -7.418  14.927  25.705
  122    H2*    A  12          1H2*        A  12  -6.705  16.925  24.660
  123   2HO*    A  12          2HO*        A  12  -8.776  17.152  23.441
  124    H1*    A  12           H1*        A  12  -8.015  18.701  26.311
  125    H8     A  12           H8         A  12  -6.762  16.378  28.859
  126   1H6     A  12          1H6         A  12  -2.277  18.524  29.396
  127   2H6     A  12          2H6         A  12  -1.453  19.687  28.349
  128    H2     A  12           H2         A  12  -3.843  20.540  24.887
  129   1H5*    A  13          1H5*        A  13  -5.606  13.769  22.049
  130   2H5*    A  13          2H5*        A  13  -5.465  14.399  23.704
  131    H4*    A  13           H4*        A  13  -5.324  16.243  21.300
  132    H3*    A  13           H3*        A  13  -3.129  14.587  22.537
  133    H2*    A  13          1H2*        A  13  -1.619  16.368  22.025
  134   2HO*    A  13          2HO*        A  13  -2.514  16.951  19.950
  135    H1*    A  13           H1*        A  13  -3.299  18.322  22.946
  136    H8     A  13           H8         A  13  -3.831  15.544  25.399
  137   1H6     A  13          1H6         A  13   0.162  16.540  28.250
  138   2H6     A  13          2H6         A  13   1.534  17.609  27.924
  139    H2     A  13           H2         A  13   1.126  19.439  24.063
  140   1H5*    C  14          1H5*        C  14   0.522  14.077  18.922
  141   2H5*    C  14          2H5*        C  14   0.476  13.963  20.689
  142    H4*    C  14           H4*        C  14   0.955  16.518  19.073
  143    H3*    C  14           H3*        C  14   2.672  14.642  20.701
  144    H2*    C  14          1H2*        C  14   3.994  16.400  21.501
  145   2HO*    C  14          2HO*        C  14   3.804  17.639  19.398
  146    H1*    C  14           H1*        C  14   1.890  17.981  22.197
  147   1H4     C  14          1H4         C  14   1.483  13.404  26.868
  148   2H4     C  14          2H4         C  14   2.954  14.313  27.211
  149    H5     C  14           H5         C  14   0.208  13.780  24.828
  150    H6     C  14           H6         C  14   0.159  14.984  22.744
  151   1H5*    C  15          1H5*        C  15   5.662  15.328  20.186
  152   2H5*    C  15          2H5*        C  15   6.721  14.075  19.520
  153    H4*    C  15           H4*        C  15   7.115  14.347  21.920
  154    H3*    C  15           H3*        C  15   5.667  11.770  21.242
  155    H2*    C  15          1H2*        C  15   6.075  11.140  23.528
  156   2HO*    C  15          2HO*        C  15   8.243  12.128  23.654
  157    H1*    C  15           H1*        C  15   5.309  13.588  24.523
  158   1H4     C  15          1H4         C  15  -0.002   9.939  23.014
  159   2H4     C  15          2H4         C  15   0.543   9.465  24.622
  160    H5     C  15           H5         C  15   1.271  11.486  21.657
  161    H6     C  15           H6         C  15   3.314  12.801  21.570
  162   1H5*    G  16          1H5*        G  16   8.202   7.652  22.088
  163   2H5*    G  16          2H5*        G  16   6.512   8.033  21.709
  164    H4*    G  16           H4*        G  16   7.613   8.379  24.519
  165    H3*    G  16           H3*        G  16   6.566   5.881  23.188
  166    H2*    G  16          1H2*        G  16   5.712   5.235  25.343
  167   2HO*    G  16          2HO*        G  16   7.551   6.057  26.588
  168    H1*    G  16           H1*        G  16   4.660   7.716  25.891
  169    H8     G  16           H8         G  16   4.049   7.322  22.233
  170    H1     G  16           H1         G  16   0.118   3.687  25.838
  171   1H2     G  16          1H2         G  16   2.345   4.543  28.340
  172   2H2     G  16          2H2         G  16   0.893   3.638  27.925
  173   1H5*    G  17          1H5*        G  17   8.447   1.724  25.081
  174   2H5*    G  17          2H5*        G  17   6.973   2.291  24.272
  175    H4*    G  17           H4*        G  17   7.368   2.155  27.294
  176    H3*    G  17           H3*        G  17   6.029   0.360  25.263
  177    H2*    G  17          1H2*        G  17   4.355  -0.196  26.888
  178   2HO*    G  17          2HO*        G  17   6.025   0.022  28.726
  179    H1*    G  17           H1*        G  17   3.833   2.382  27.529
  180    H8     G  17           H8         G  17   4.777   3.081  24.054
  181    H1     G  17           H1         G  17  -0.786  -0.180  24.444
  182   1H2     G  17          1H2         G  17  -1.002  -1.007  26.489
  183   2H2     G  17          2H2         G  17   0.241  -0.667  27.700
  184   1H5*    G  18          1H5*        G  18   5.803  -2.153  28.333
  185   2H5*    G  18          2H5*        G  18   6.473  -3.746  27.953
  186    H4*    G  18           H4*        G  18   4.127  -3.875  28.692
  187    H3*    G  18           H3*        G  18   4.619  -4.617  25.795
  188    H2*    G  18          1H2*        G  18   2.327  -5.371  25.766
  189   2HO*    G  18          2HO*        G  18   2.571  -6.071  28.178
  190    H1*    G  18           H1*        G  18   1.367  -3.155  27.054
  191    H8     G  18           H8         G  18   3.984  -1.735  24.796
  192    H1     G  18           H1         G  18  -1.427  -3.597  21.799
  193   1H2     G  18          1H2         G  18  -2.492  -5.042  23.126
  194   2H2     G  18          2H2         G  18  -1.901  -5.308  24.771
  195   1H5*    U  19          1H5*        U  19   2.345  -7.806  26.962
  196   2H5*    U  19          2H5*        U  19   3.162  -9.327  26.581
  197    H4*    U  19           H4*        U  19   0.895  -9.234  25.604
  198    H3*    U  19           H3*        U  19   3.292  -9.361  23.765
  199    H2*    U  19          1H2*        U  19   0.557  -9.886  22.653
  200   2HO*    U  19          2HO*        U  19   2.785  -9.985  21.668
  201    H1*    U  19           H1*        U  19  -0.273  -7.977  23.197
  202    H3     U  19           H3         U  19   0.041  -5.725  19.279
  203    H5     U  19           H5         U  19   3.355  -4.382  21.475
  204    H6     U  19           H6         U  19   2.797  -5.992  23.232
  205   1H5*    G  20          1H5*        G  20   1.306 -13.365  20.854
  206   2H5*    G  20          2H5*        G  20   1.548 -11.635  20.623
  207    H4*    G  20           H4*        G  20  -1.206 -12.810  21.160
  208    H3*    G  20           H3*        G  20   0.378 -12.587  18.607
  209    H2*    G  20          1H2*        G  20  -1.604 -12.006  17.400
  210   2HO*    G  20          2HO*        G  20  -3.044 -13.452  18.650
  211    H1*    G  20           H1*        G  20  -2.413 -10.117  19.170
  212    H8     G  20           H8         G  20   1.146  -9.616  19.688
  213    H1     G  20           H1         G  20  -0.653  -7.601  13.826
  214   1H2     G  20          1H2         G  20  -2.671  -8.362  13.382
  215   2H2     G  20          2H2         G  20  -3.514  -9.382  14.561
  216   1H5*    A  21          1H5*        A  21  -0.947 -15.976  15.198
  217   2H5*    A  21          2H5*        A  21   0.158 -14.590  15.151
  218    H4*    A  21           H4*        A  21  -2.829 -14.527  14.517
  219    H3*    A  21           H3*        A  21  -0.329 -14.347  12.795
  220    H2*    A  21          1H2*        A  21  -1.475 -12.845  11.362
  221   2HO*    A  21          2HO*        A  21  -3.583 -14.023  11.611
  222    H1*    A  21           H1*        A  21  -2.494 -11.304  13.342
  223    H8     A  21           H8         A  21   0.734 -12.048  14.927
  224   1H6     A  21          1H6         A  21   3.151  -7.928  10.840
  225   2H6     A  21          2H6         A  21   3.519  -8.827  12.314
  226    H2     A  21           H2         A  21  -0.827  -8.960   9.495
  227   1H5*    G  22          1H5*        G  22   0.357 -17.340   9.448
  228   2H5*    G  22          2H5*        G  22   1.367 -15.902   9.566
  229    H4*    G  22           H4*        G  22  -1.646 -15.982   9.082
  230    H3*    G  22           H3*        G  22   0.828 -15.388   7.473
  231    H2*    G  22          1H2*        G  22  -0.226 -13.671   6.271
  232   2HO*    G  22          2HO*        G  22  -2.460 -13.257   6.353
  233    H1*    G  22           H1*        G  22  -1.423 -12.482   8.431
  234    H8     G  22           H8         G  22   1.369 -13.299  10.429
  235    H1     G  22           H1         G  22   3.136  -9.115   5.853
  236   1H2     G  22          1H2         G  22   1.630  -9.165   4.206
  237   2H2     G  22          2H2         G  22   0.207 -10.193   4.361
  238   1H5*    C  23          1H5*        C  23  -1.241 -15.378   4.285
  239   2H5*    C  23          2H5*        C  23  -0.714 -16.601   3.116
  240    H4*    C  23           H4*        C  23  -0.508 -14.418   2.107
  241    H3*    C  23           H3*        C  23   2.174 -15.598   2.880
  242    H2*    C  23          1H2*        C  23   3.169 -13.763   1.672
  243   2HO*    C  23          2HO*        C  23   1.297 -13.797   0.039
  244    H1*    C  23           H1*        C  23   1.522 -11.886   2.789
  245   1H4     C  23          1H4         C  23   5.733 -13.012   7.681
  246   2H4     C  23          2H4         C  23   6.426 -11.771   6.629
  247    H5     C  23           H5         C  23   3.735 -14.241   7.038
  248    H6     C  23           H6         C  23   2.000 -14.434   5.344
  249   1H5*    C  24          1H5*        C  24   2.724 -14.655  -1.257
  250   2H5*    C  24          2H5*        C  24   3.457 -16.055  -2.049
  251    H4*    C  24           H4*        C  24   4.797 -14.073  -2.472
  252    H3*    C  24           H3*        C  24   6.112 -16.033  -0.558
  253    H2*    C  24          1H2*        C  24   8.074 -14.698  -0.738
  254   2HO*    C  24          2HO*        C  24   7.756 -14.283  -3.098
  255    H1*    C  24           H1*        C  24   6.711 -12.288  -0.593
  256   1H4     C  24          1H4         C  24   7.523 -14.447   5.588
  257   2H4     C  24          2H4         C  24   8.892 -13.414   5.153
  258    H5     C  24           H5         C  24   5.854 -15.090   3.926
  259    H6     C  24           H6         C  24   5.181 -14.815   1.592
  260   1H    GLU   8          1H        GLU   8  -3.575   8.621  13.898
  261   2H    GLU   8          2H        GLU   8  -4.311   9.654  14.922
  262   3H    GLU   8          3H        GLU   8  -3.287  10.235  13.782
  263    HA   GLU   8           HA       GLU   8  -5.584  10.644  13.180
  264   1HB   GLU   8          2HB       GLU   8  -5.516   9.852  10.911
  265   2HB   GLU   8          1HB       GLU   8  -3.914  10.386  11.400
  266   1HG   GLU   8          2HG       GLU   8  -3.254   7.988  11.761
  267   2HG   GLU   8          1HG       GLU   8  -4.851   7.486  11.196
  268    H    SER   9           H        SER   9  -7.602   9.719  12.320
  269    HA   SER   9           HA       SER   9  -8.669   7.692  14.071
  270   1HB   SER   9          2HB       SER   9  -9.921   9.124  11.707
  271   2HB   SER   9          1HB       SER   9 -10.781   8.166  12.931
  272    HG   SER   9           HG       SER   9 -10.799  10.424  13.398
  273    H    LYS  10           H        LYS  10  -6.978   6.103  13.195
  274    HA   LYS  10           HA       LYS  10  -7.304   4.740  10.699
  275   1HB   LYS  10          2HB       LYS  10  -5.281   4.682  12.162
  276   2HB   LYS  10          1HB       LYS  10  -6.172   3.736  13.348
  277   1HG   LYS  10          2HG       LYS  10  -4.723   2.282  12.099
  278   2HG   LYS  10          1HG       LYS  10  -6.389   1.876  11.700
  279   1HD   LYS  10          2HD       LYS  10  -6.191   3.120   9.558
  280   2HD   LYS  10          1HD       LYS  10  -4.532   3.594   9.989
  281   1HE   LYS  10          2HE       LYS  10  -3.893   1.184  10.077
  282   2HE   LYS  10          1HE       LYS  10  -5.540   0.734   9.632
  283   1HZ   LYS  10          1HZ       LYS  10  -4.072   0.776   7.690
  284   2HZ   LYS  10          2HZ       LYS  10  -3.702   2.344   7.935
  285   3HZ   LYS  10          3HZ       LYS  10  -5.226   1.917   7.521
  286    H    GLY  11           H        GLY  11  -8.875   4.211  13.788
  287   1HA   GLY  11          2HA       GLY  11 -11.056   3.238  14.038
  288   2HA   GLY  11          1HA       GLY  11 -10.796   2.242  12.611
  289    H    THR  12           H        THR  12  -7.926   1.937  14.132
  290    HA   THR  12           HA       THR  12  -8.425  -0.626  15.429
  291    HB   THR  12           HB       THR  12  -5.978  -0.339  16.092
  292    HG1  THR  12           HG1      THR  12  -4.891   1.353  15.031
  293   1HG2  THR  12          1HG2      THR  12  -6.579   0.007  13.124
  294   2HG2  THR  12          2HG2      THR  12  -6.635  -1.522  14.017
  295   3HG2  THR  12          3HG2      THR  12  -5.097  -0.662  13.836
  296    H    ALA  13           H        ALA  13  -7.546  -1.030  17.613
  297    HA   ALA  13           HA       ALA  13  -8.949   0.092  19.670
  298   1HB   ALA  13          1HB       ALA  13  -6.165  -1.123  19.727
  299   2HB   ALA  13          2HB       ALA  13  -7.719  -1.962  19.889
  300   3HB   ALA  13          3HB       ALA  13  -7.187  -0.871  21.167
  301    H    LYS  14           H        LYS  14  -5.770   1.347  18.617
  302    HA   LYS  14           HA       LYS  14  -5.440   3.150  20.856
  303   1HB   LYS  14          2HB       LYS  14  -4.168   3.364  18.087
  304   2HB   LYS  14          1HB       LYS  14  -3.677   4.215  19.558
  305   1HG   LYS  14          2HG       LYS  14  -3.474   1.814  20.599
  306   2HG   LYS  14          1HG       LYS  14  -3.501   1.251  18.928
  307   1HD   LYS  14          2HD       LYS  14  -1.220   1.388  19.557
  308   2HD   LYS  14          1HD       LYS  14  -1.491   2.777  18.488
  309   1HE   LYS  14          2HE       LYS  14  -1.600   4.295  20.383
  310   2HE   LYS  14          1HE       LYS  14  -1.723   2.950  21.520
  311   1HZ   LYS  14          1HZ       LYS  14   0.520   2.325  21.043
  312   2HZ   LYS  14          2HZ       LYS  14   0.480   3.871  21.524
  313   3HZ   LYS  14          3HZ       LYS  14   0.708   3.531  19.926
  314    H    SER  15           H        SER  15  -6.415   3.901  17.531
  315    HA   SER  15           HA       SER  15  -7.239   6.607  18.110
  316   1HB   SER  15          2HB       SER  15  -8.212   6.636  15.908
  317   2HB   SER  15          1HB       SER  15  -6.613   5.882  15.864
  318    HG   SER  15           HG       SER  15  -7.756   3.814  15.939
  319    H    ARG  16           H        ARG  16  -9.071   3.560  18.034
  320    HA   ARG  16           HA       ARG  16 -11.682   4.603  18.570
  321   1HB   ARG  16          2HB       ARG  16 -11.295   2.320  17.825
  322   2HB   ARG  16          1HB       ARG  16 -10.396   1.940  19.301
  323   1HG   ARG  16          2HG       ARG  16 -12.383   2.122  20.667
  324   2HG   ARG  16          1HG       ARG  16 -13.307   2.826  19.331
  325   1HD   ARG  16          2HD       ARG  16 -13.911   0.483  19.696
  326   2HD   ARG  16          1HD       ARG  16 -13.236   0.741  18.094
  327    HE   ARG  16           HE       ARG  16 -11.800  -0.555  20.411
  328   1HH1  ARG  16          2HH2      ARG  16 -11.993  -0.230  16.871
  329   2HH1  ARG  16          1HH2      ARG  16 -11.011  -1.677  16.707
  330   1HH2  ARG  16          1HH1      ARG  16 -10.432  -2.313  19.939
  331   2HH2  ARG  16          2HH1      ARG  16 -10.256  -2.671  18.210
  332    H    TYR  17           H        TYR  17  -9.140   3.567  20.902
  333    HA   TYR  17           HA       TYR  17 -10.661   4.209  23.221
  334   1HB   TYR  17          2HB       TYR  17  -8.602   2.801  23.158
  335   2HB   TYR  17          1HB       TYR  17  -7.638   4.260  22.928
  336    HD1  TYR  17           HD1      TYR  17 -10.315   2.846  25.171
  337    HD2  TYR  17           HD2      TYR  17  -6.729   5.236  24.901
  338    HE1  TYR  17           HE1      TYR  17 -10.328   3.145  27.644
  339    HE2  TYR  17           HE2      TYR  17  -6.735   5.507  27.378
  340    HH   TYR  17           HH       TYR  17  -7.724   4.895  29.339
  341    H    LYS  18           H        LYS  18  -8.358   6.244  21.378
  342    HA   LYS  18           HA       LYS  18  -8.663   8.655  22.882
  343   1HB   LYS  18          2HB       LYS  18  -6.942   8.329  21.196
  344   2HB   LYS  18          1HB       LYS  18  -8.124   8.248  19.905
  345   1HG   LYS  18          2HG       LYS  18  -7.955  10.737  21.638
  346   2HG   LYS  18          1HG       LYS  18  -6.747  10.446  20.389
  347   1HD   LYS  18          2HD       LYS  18  -8.618  10.238  18.695
  348   2HD   LYS  18          1HD       LYS  18  -9.744  10.776  19.962
  349   1HE   LYS  18          2HE       LYS  18  -8.346  12.826  20.280
  350   2HE   LYS  18          1HE       LYS  18  -7.306  12.303  18.950
  351   1HZ   LYS  18          1HZ       LYS  18 -10.203  12.926  18.723
  352   2HZ   LYS  18          2HZ       LYS  18  -9.261  12.421  17.480
  353   3HZ   LYS  18          3HZ       LYS  18  -8.988  13.868  18.185
  354    H    ALA  19           H        ALA  19 -10.624   7.560  20.091
  355    HA   ALA  19           HA       ALA  19 -12.504   9.683  20.160
  356   1HB   ALA  19          1HB       ALA  19 -12.265   8.088  18.294
  357   2HB   ALA  19          2HB       ALA  19 -13.944   8.188  18.862
  358   3HB   ALA  19          3HB       ALA  19 -12.943   6.792  19.303
  359    H    ARG  20           H        ARG  20 -12.662   6.540  21.888
  360    HA   ARG  20           HA       ARG  20 -15.137   6.976  23.269
  361   1HB   ARG  20          2HB       ARG  20 -12.699   5.289  23.958
  362   2HB   ARG  20          1HB       ARG  20 -14.158   5.322  24.955
  363   1HG   ARG  20          2HG       ARG  20 -15.534   4.511  23.118
  364   2HG   ARG  20          1HG       ARG  20 -14.184   4.616  21.989
  365   1HD   ARG  20          2HD       ARG  20 -14.461   2.299  22.636
  366   2HD   ARG  20          1HD       ARG  20 -12.941   2.908  23.277
  367    HE   ARG  20           HE       ARG  20 -13.722   2.623  25.452
  368   1HH1  ARG  20          1HH1      ARG  20 -16.514   2.256  23.362
  369   2HH1  ARG  20          2HH1      ARG  20 -17.514   1.692  24.675
  370   1HH2  ARG  20          1HH2      ARG  20 -15.046   1.914  27.055
  371   2HH2  ARG  20          2HH2      ARG  20 -16.699   1.507  26.698
  372    H    ARG  21           H        ARG  21 -11.826   7.655  24.468
  373    HA   ARG  21           HA       ARG  21 -12.572   8.913  26.939
  374   1HB   ARG  21          2HB       ARG  21 -10.220   9.460  25.096
  375   2HB   ARG  21          1HB       ARG  21 -10.423  10.184  26.695
  376   1HG   ARG  21          2HG       ARG  21 -10.399   7.869  27.693
  377   2HG   ARG  21          1HG       ARG  21  -9.920   7.249  26.109
  378   1HD   ARG  21          2HD       ARG  21  -8.405   9.287  27.802
  379   2HD   ARG  21          1HD       ARG  21  -7.957   7.608  27.543
  380    HE   ARG  21           HE       ARG  21  -7.242   8.092  25.342
  381   1HH1  ARG  21          1HH1      ARG  21  -8.408  11.144  26.808
  382   2HH1  ARG  21          2HH1      ARG  21  -7.980  11.972  25.304
  383   1HH2  ARG  21          1HH2      ARG  21  -6.542   9.494  23.663
  384   2HH2  ARG  21          2HH2      ARG  21  -7.050  11.183  23.809
  385    H    ALA  22           H        ALA  22 -12.258  10.346  23.697
  386    HA   ALA  22           HA       ALA  22 -12.785  13.049  24.487
  387   1HB   ALA  22          1HB       ALA  22 -11.627  12.417  22.408
  388   2HB   ALA  22          2HB       ALA  22 -13.035  13.443  22.080
  389   3HB   ALA  22          3HB       ALA  22 -13.122  11.697  21.777
  390    H    GLU  23           H        GLU  23 -15.001  10.566  23.065
  391    HA   GLU  23           HA       GLU  23 -17.373  12.185  23.150
  392   1HB   GLU  23          2HB       GLU  23 -16.923   9.177  23.189
  393   2HB   GLU  23          1HB       GLU  23 -18.532   9.890  23.159
  394   1HG   GLU  23          2HG       GLU  23 -16.416  10.455  21.037
  395   2HG   GLU  23          1HG       GLU  23 -17.624   9.184  20.915
  396    H    LEU  24           H        LEU  24 -15.915  10.093  25.613
  397    HA   LEU  24           HA       LEU  24 -17.970  10.118  27.539
  398   1HB   LEU  24          2HB       LEU  24 -15.995   8.641  27.494
  399   2HB   LEU  24          1HB       LEU  24 -14.952  10.016  27.862
  400    HG   LEU  24           HG       LEU  24 -15.982  10.223  30.087
  401   1HD1  LEU  24          1HD1      LEU  24 -18.245   9.356  29.676
  402   2HD1  LEU  24          2HD1      LEU  24 -17.460   8.414  30.944
  403   3HD1  LEU  24          3HD1      LEU  24 -17.580   7.747  29.300
  404   1HD2  LEU  24          1HD2      LEU  24 -15.060   7.398  29.445
  405   2HD2  LEU  24          2HD2      LEU  24 -15.050   8.169  31.047
  406   3HD2  LEU  24          3HD2      LEU  24 -14.005   8.792  29.759
  407    H    ILE  25           H        ILE  25 -15.773  12.714  26.734
  408    HA   ILE  25           HA       ILE  25 -15.865  14.328  29.070
  409    HB   ILE  25           HB       ILE  25 -15.748  15.237  26.181
  410   1HG1  ILE  25          2HG1      ILE  25 -13.500  14.755  28.209
  411   2HG1  ILE  25          1HG1      ILE  25 -13.938  13.638  26.926
  412   1HG2  ILE  25          1HG2      ILE  25 -15.022  16.734  28.741
  413   2HG2  ILE  25          2HG2      ILE  25 -16.349  17.134  27.625
  414   3HG2  ILE  25          3HG2      ILE  25 -14.695  17.306  27.091
  415   1HD1  ILE  25          1HD1      ILE  25 -12.709  16.376  26.570
  416   2HD1  ILE  25          2HD1      ILE  25 -13.435  15.447  25.233
  417   3HD1  ILE  25          3HD1      ILE  25 -12.057  14.789  26.134
  418    H    ALA  26           H        ALA  26 -18.420  13.768  26.704
  419    HA   ALA  26           HA       ALA  26 -20.168  15.907  27.319
  420   1HB   ALA  26          1HB       ALA  26 -20.425  14.349  25.418
  421   2HB   ALA  26          2HB       ALA  26 -21.904  14.435  26.393
  422   3HB   ALA  26          3HB       ALA  26 -20.823  13.034  26.548
  423    H    GLU  27           H        GLU  27 -19.366  13.164  29.314
  424    HA   GLU  27           HA       GLU  27 -21.290  14.144  31.414
  425   1HB   GLU  27          2HB       GLU  27 -20.402  11.283  30.894
  426   2HB   GLU  27          1HB       GLU  27 -21.328  11.827  32.296
  427   1HG   GLU  27          2HG       GLU  27 -23.135  12.641  30.766
  428   2HG   GLU  27          1HG       GLU  27 -22.248  11.975  29.393
  429    H    ARG  28           H        ARG  28 -18.011  13.212  30.669
  430    HA   ARG  28           HA       ARG  28 -17.065  13.169  33.433
  431   1HB   ARG  28          2HB       ARG  28 -16.247  11.672  31.739
  432   2HB   ARG  28          1HB       ARG  28 -15.652  13.003  30.745
  433   1HG   ARG  28          2HG       ARG  28 -13.894  13.496  32.299
  434   2HG   ARG  28          1HG       ARG  28 -14.611  12.435  33.539
  435   1HD   ARG  28          2HD       ARG  28 -12.791  11.233  32.629
  436   2HD   ARG  28          1HD       ARG  28 -14.228  10.500  31.945
  437    HE   ARG  28           HE       ARG  28 -13.787  11.646  29.825
  438   1HH1  ARG  28          1HH1      ARG  28 -11.135  12.075  32.049
  439   2HH1  ARG  28          2HH1      ARG  28 -10.018  12.438  30.756
  440   1HH2  ARG  28          1HH2      ARG  28 -12.206  11.773  28.210
  441   2HH2  ARG  28          2HH2      ARG  28 -10.533  11.948  28.727
  442    H    ARG  29           H        ARG  29 -17.474  15.734  31.190
  443    HA   ARG  29           HA       ARG  29 -15.516  17.632  32.056
  444   1HB   ARG  29          2HB       ARG  29 -16.903  17.913  30.055
  445   2HB   ARG  29          1HB       ARG  29 -18.358  18.068  31.050
  446   1HG   ARG  29          2HG       ARG  29 -17.455  20.158  32.037
  447   2HG   ARG  29          1HG       ARG  29 -15.967  19.970  31.083
  448   1HD   ARG  29          2HD       ARG  29 -17.280  20.132  28.998
  449   2HD   ARG  29          1HD       ARG  29 -18.777  20.268  29.943
  450    HE   ARG  29           HE       ARG  29 -16.936  22.311  30.757
  451   1HH1  ARG  29          1HH1      ARG  29 -19.029  21.597  28.046
  452   2HH1  ARG  29          2HH1      ARG  29 -19.218  23.286  27.640
  453   1HH2  ARG  29          1HH2      ARG  29 -17.214  24.419  30.194
  454   2HH2  ARG  29          2HH2      ARG  29 -18.213  24.831  28.825
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  12.952 -23.015  19.425
    2   2H5*    G   1          2H5*        G   1  13.609 -21.371  19.472
    3    H4*    G   1           H4*        G   1  12.024 -21.632  17.620
    4    H3*    G   1           H3*        G   1  11.057 -19.894  19.905
    5    H2*    G   1          1H2*        G   1   9.823 -19.767  17.181
    6   2HO*    G   1          2HO*        G   1   9.328 -18.325  18.995
    7    H1*    G   1           H1*        G   1   9.202 -21.849  17.198
    8    H8     G   1           H8         G   1   8.484 -21.334  20.999
    9    H1     G   1           H1         G   1   3.620 -23.387  17.266
   10   1H2     G   1          1H2         G   1   4.407 -23.747  15.217
   11   2H2     G   1          2H2         G   1   6.106 -23.432  14.861
   12   1H5*    G   2          1H5*        G   2  11.448 -17.885  14.487
   13   2H5*    G   2          2H5*        G   2  10.312 -17.985  15.844
   14    H4*    G   2           H4*        G   2  10.384 -19.932  13.488
   15    H3*    G   2           H3*        G   2   8.610 -17.543  14.083
   16    H2*    G   2          1H2*        G   2   6.878 -18.694  12.915
   17   2HO*    G   2          2HO*        G   2   8.506 -19.533  11.259
   18    H1*    G   2           H1*        G   2   7.474 -21.176  13.968
   19    H8     G   2           H8         G   2   7.657 -18.829  16.854
   20    H1     G   2           H1         G   2   1.665 -20.687  15.394
   21   1H2     G   2          1H2         G   2   1.586 -21.248  13.269
   22   2H2     G   2          2H2         G   2   3.063 -21.323  12.297
   23   1H5*    U   3          1H5*        U   3   7.671 -17.672  10.015
   24   2H5*    U   3          2H5*        U   3   7.451 -16.024   9.404
   25    H4*    U   3           H4*        U   3   5.344 -17.305   9.387
   26    H3*    U   3           H3*        U   3   5.348 -15.067  11.427
   27    H2*    U   3          1H2*        U   3   3.005 -15.597  11.749
   28   2HO*    U   3          2HO*        U   3   2.481 -16.174   9.537
   29    H1*    U   3           H1*        U   3   3.469 -18.266  11.985
   30    H3     U   3           H3         U   3   2.580 -16.682  16.188
   31    H5     U   3           H5         U   3   6.552 -15.596  15.547
   32    H6     U   3           H6         U   3   6.376 -16.382  13.253
   33   1H5*    U   4          1H5*        U   4   1.790 -14.647   8.574
   34   2H5*    U   4          2H5*        U   4   1.437 -12.924   8.432
   35    H4*    U   4           H4*        U   4  -0.556 -14.279   9.028
   36    H3*    U   4           H3*        U   4   0.355 -12.449  11.245
   37    H2*    U   4          1H2*        U   4  -1.825 -12.816  12.184
   38   2HO*    U   4          2HO*        U   4  -3.126 -13.105  10.277
   39    H1*    U   4           H1*        U   4  -1.486 -15.525  11.890
   40    H3     U   4           H3         U   4  -1.173 -14.351  16.287
   41    H5     U   4           H5         U   4   2.635 -13.520  14.705
   42    H6     U   4           H6         U   4   1.765 -14.000  12.476
   43   1H5*    C   5          2H5*        C   5  -3.731  -9.424  10.157
   44   2H5*    C   5          1H5*        C   5  -2.492 -10.122  11.205
   45    H4*    C   5           H4*        C   5  -5.374 -11.112  11.172
   46    H3*    C   5           H3*        C   5  -4.036  -8.994  12.874
   47    H2*    C   5          1H2*        C   5  -5.567  -9.647  14.640
   48   2HO*    C   5          2HO*        C   5  -7.312 -10.205  12.954
   49    H1*    C   5           H1*        C   5  -5.060 -12.306  14.315
   50   1H4     C   5          1H4         C   5   0.388 -10.194  17.314
   51   2H4     C   5          2H4         C   5  -0.806 -10.526  18.573
   52    H5     C   5           H5         C   5  -0.181 -10.252  14.961
   53    H6     C   5           H6         C   5  -1.956 -10.689  13.375
   54   1H5*    A   6          1H5*        A   6  -8.197  -8.478  13.476
   55   2H5*    A   6          2H5*        A   6  -8.650  -6.773  13.569
   56    H4*    A   6           H4*        A   6  -9.327  -8.089  15.571
   57    H3*    A   6           H3*        A   6  -7.297  -5.894  16.012
   58    H2*    A   6          1H2*        A   6  -7.609  -6.298  18.367
   59   2HO*    A   6          2HO*        A   6  -9.187  -7.641  19.195
   60    H1*    A   6           H1*        A   6  -7.363  -9.002  18.140
   61    H8     A   6           H8         A   6  -5.001  -7.662  15.541
   62   1H6     A   6          1H6         A   6  -1.048  -7.095  20.363
   63   2H6     A   6          2H6         A   6  -1.139  -7.085  18.599
   64    H2     A   6           H2         A   6  -5.016  -7.689  21.988
   65   1H5*    C   7          1H5*        C   7 -10.492  -5.348  18.672
   66   2H5*    C   7          2H5*        C   7 -10.909  -3.666  18.996
   67    H4*    C   7           H4*        C   7 -10.361  -4.994  21.033
   68    H3*    C   7           H3*        C   7  -8.562  -2.640  20.427
   69    H2*    C   7          1H2*        C   7  -7.651  -3.017  22.635
   70   2HO*    C   7          2HO*        C   7  -9.540  -3.652  23.745
   71    H1*    C   7           H1*        C   7  -7.335  -5.692  22.266
   72   1H4     C   7          1H4         C   7  -2.405  -3.288  18.682
   73   2H4     C   7          2H4         C   7  -1.829  -3.391  20.347
   74    H5     C   7           H5         C   7  -4.701  -3.695  18.094
   75    H6     C   7           H6         C   7  -6.886  -4.290  18.959
   76   1H5*    C   8          2H5*        C   8 -10.164  -0.456  25.419
   77   2H5*    C   8          1H5*        C   8  -8.704  -0.134  24.469
   78    H4*    C   8           H4*        C   8  -9.120  -2.581  26.253
   79    H3*    C   8           H3*        C   8  -7.783   0.086  26.648
   80    H2*    C   8          1H2*        C   8  -5.758  -0.834  27.394
   81   2HO*    C   8          2HO*        C   8  -7.073  -2.502  28.681
   82    H1*    C   8           H1*        C   8  -5.628  -3.037  25.760
   83   1H4     C   8          1H4         C   8  -2.963   0.060  21.059
   84   2H4     C   8          2H4         C   8  -1.736   0.105  22.323
   85    H5     C   8           H5         C   8  -5.286  -0.336  21.519
   86    H6     C   8           H6         C   8  -6.847  -1.070  23.207
   87   1H5*    U   9          1H5*        U   9  -8.459   3.035  29.148
   88   2H5*    U   9          2H5*        U   9  -8.051   2.064  27.726
   89    H4*    U   9           H4*        U   9  -6.322   1.972  30.209
   90    H3*    U   9           H3*        U   9  -6.243   4.011  27.976
   91    H2*    U   9          1H2*        U   9  -3.858   4.145  28.424
   92   2HO*    U   9          2HO*        U   9  -4.298   3.499  30.834
   93    H1*    U   9           H1*        U   9  -3.577   1.445  28.255
   94    H3     U   9           H3         U   9  -2.250   3.478  24.294
   95    H5     U   9           H5         U   9  -6.187   2.238  23.713
   96    H6     U   9           H6         U   9  -6.377   1.781  26.088
   97   1H5*    C  10          1H5*        C  10  -3.774   5.312  31.154
   98   2H5*    C  10          2H5*        C  10  -4.350   6.883  31.719
   99    H4*    C  10           H4*        C  10  -1.896   6.860  31.487
  100    H3*    C  10           H3*        C  10  -3.552   8.621  29.681
  101    H2*    C  10          1H2*        C  10  -1.592   9.552  28.763
  102   2HO*    C  10          2HO*        C  10  -0.480   9.700  30.876
  103    H1*    C  10           H1*        C  10  -0.138   7.203  28.698
  104   1H4     C  10          1H4         C  10  -3.141   6.288  23.063
  105   2H4     C  10          2H4         C  10  -1.685   7.241  22.784
  106    H5     C  10           H5         C  10  -3.979   5.926  25.327
  107    H6     C  10           H6         C  10  -3.478   6.258  27.688
  108   1H5*    U  11          1H5*        U  11  -1.128  13.036  30.981
  109   2H5*    U  11          2H5*        U  11  -2.707  13.226  31.752
  110    H4*    U  11           H4*        U  11  -2.406  14.709  29.773
  111    H3*    U  11           H3*        U  11  -4.516  12.554  29.535
  112    H2*    U  11          1H2*        U  11  -5.178  13.545  27.509
  113   2HO*    U  11          2HO*        U  11  -4.943  15.771  28.512
  114    H1*    U  11           H1*        U  11  -2.546  14.322  26.811
  115    H3     U  11           H3         U  11  -3.189  11.638  23.280
  116    H5     U  11           H5         U  11  -4.347   9.176  26.477
  117    H6     U  11           H6         U  11  -3.749  10.978  28.035
  118   1H5*    A  12          1H5*        A  12  -9.019  15.381  29.800
  119   2H5*    A  12          2H5*        A  12  -8.684  13.976  28.775
  120    H4*    A  12           H4*        A  12  -9.809  15.690  27.475
  121    H3*    A  12           H3*        A  12  -6.929  15.134  26.789
  122    H2*    A  12          1H2*        A  12  -6.962  16.797  25.107
  123   2HO*    A  12          2HO*        A  12  -9.190  16.174  24.389
  124    H1*    A  12           H1*        A  12  -8.365  18.698  26.479
  125    H8     A  12           H8         A  12  -6.430  17.597  29.345
  126   1H6     A  12          1H6         A  12  -2.156  19.973  28.269
  127   2H6     A  12          2H6         A  12  -1.660  20.767  26.768
  128    H2     A  12           H2         A  12  -4.700  20.338  23.770
  129   1H5*    A  13          1H5*        A  13  -5.584  13.227  22.894
  130   2H5*    A  13          2H5*        A  13  -5.059  14.170  24.307
  131    H4*    A  13           H4*        A  13  -5.932  15.462  21.693
  132    H3*    A  13           H3*        A  13  -3.182  14.594  22.610
  133    H2*    A  13          1H2*        A  13  -2.294  16.468  21.412
  134   2HO*    A  13          2HO*        A  13  -4.024  16.295  19.674
  135    H1*    A  13           H1*        A  13  -4.079  18.217  22.486
  136    H8     A  13           H8         A  13  -3.726  16.028  25.420
  137   1H6     A  13          1H6         A  13   0.757  17.621  26.969
  138   2H6     A  13          2H6         A  13   1.954  18.604  26.117
  139    H2     A  13           H2         A  13   0.524  19.646  22.204
  140   1H5*    C  14          1H5*        C  14  -2.027  15.538  19.008
  141   2H5*    C  14          2H5*        C  14  -1.098  14.215  18.294
  142    H4*    C  14           H4*        C  14   0.153  16.326  18.314
  143    H3*    C  14           H3*        C  14   1.242  14.072  19.992
  144    H2*    C  14          1H2*        C  14   3.190  15.428  20.356
  145   2HO*    C  14          2HO*        C  14   3.032  16.350  18.073
  146    H1*    C  14           H1*        C  14   1.800  17.706  20.913
  147   1H4     C  14          1H4         C  14   1.367  13.852  26.257
  148   2H4     C  14          2H4         C  14   2.925  14.676  26.332
  149    H5     C  14           H5         C  14  -0.106  14.082  24.310
  150    H6     C  14           H6         C  14  -0.333  15.083  22.155
  151   1H5*    C  15          1H5*        C  15   4.604  14.407  18.825
  152   2H5*    C  15          2H5*        C  15   5.317  12.906  18.216
  153    H4*    C  15           H4*        C  15   6.396  13.598  20.309
  154    H3*    C  15           H3*        C  15   4.676  11.114  20.548
  155    H2*    C  15          1H2*        C  15   5.602  10.864  22.756
  156   2HO*    C  15          2HO*        C  15   7.786  11.624  22.172
  157    H1*    C  15           H1*        C  15   5.242  13.490  23.427
  158   1H4     C  15          1H4         C  15  -0.587  10.421  23.768
  159   2H4     C  15          2H4         C  15   0.271  10.012  25.248
  160    H5     C  15           H5         C  15   0.427  11.641  21.983
  161    H6     C  15           H6         C  15   2.490  12.674  21.225
  162   1H5*    G  16          1H5*        G  16   7.356   7.063  21.774
  163   2H5*    G  16          2H5*        G  16   5.634   7.303  21.408
  164    H4*    G  16           H4*        G  16   6.927   8.292  23.981
  165    H3*    G  16           H3*        G  16   5.537   5.671  23.376
  166    H2*    G  16          1H2*        G  16   4.844   5.679  25.698
  167   2HO*    G  16          2HO*        G  16   6.927   6.851  26.372
  168    H1*    G  16           H1*        G  16   3.889   8.223  25.552
  169    H8     G  16           H8         G  16   3.244   7.093  22.084
  170    H1     G  16           H1         G  16  -0.522   3.998  26.308
  171   1H2     G  16          1H2         G  16   1.681   5.373  28.604
  172   2H2     G  16          2H2         G  16   0.242   4.385  28.378
  173   1H5*    G  17          1H5*        G  17   6.955   4.724  26.919
  174   2H5*    G  17          2H5*        G  17   7.838   3.192  26.923
  175    H4*    G  17           H4*        G  17   5.982   3.202  28.545
  176    H3*    G  17           H3*        G  17   5.657   1.301  26.212
  177    H2*    G  17          1H2*        G  17   3.772   0.404  27.415
  178   2HO*    G  17          2HO*        G  17   4.673   0.550  29.569
  179    H1*    G  17           H1*        G  17   2.726   2.852  28.004
  180    H8     G  17           H8         G  17   4.253   3.134  24.554
  181    H1     G  17           H1         G  17  -1.367  -0.040  24.689
  182   1H2     G  17          1H2         G  17  -1.923  -0.447  26.788
  183   2H2     G  17          2H2         G  17  -0.888   0.142  28.094
  184   1H5*    G  18          1H5*        G  18   5.503  -3.450  28.410
  185   2H5*    G  18          2H5*        G  18   4.998  -2.779  26.846
  186    H4*    G  18           H4*        G  18   3.344  -2.539  29.395
  187    H3*    G  18           H3*        G  18   3.272  -4.530  27.116
  188    H2*    G  18          1H2*        G  18   0.893  -4.655  27.402
  189   2HO*    G  18          2HO*        G  18   0.803  -4.565  29.706
  190    H1*    G  18           H1*        G  18   0.551  -1.959  27.573
  191    H8     G  18           H8         G  18   3.298  -2.202  25.080
  192    H1     G  18           H1         G  18  -2.463  -3.836  22.666
  193   1H2     G  18          1H2         G  18  -3.873  -4.196  24.335
  194   2H2     G  18          2H2         G  18  -3.350  -3.825  25.990
  195   1H5*    U  19          1H5*        U  19   0.632  -8.535  29.802
  196   2H5*    U  19          2H5*        U  19   0.840  -8.189  28.080
  197    H4*    U  19           H4*        U  19  -1.333  -7.034  29.887
  198    H3*    U  19           H3*        U  19  -1.160  -9.127  27.722
  199    H2*    U  19          1H2*        U  19  -3.265  -8.512  26.838
  200   2HO*    U  19          2HO*        U  19  -4.667  -7.039  27.850
  201    H1*    U  19           H1*        U  19  -2.803  -5.822  26.884
  202    H3     U  19           H3         U  19  -2.360  -7.232  22.512
  203    H5     U  19           H5         U  19   1.482  -6.791  24.095
  204    H6     U  19           H6         U  19   0.543  -6.701  26.320
  205   1H5*    G  20          1H5*        G  20  -5.009  -9.647  28.700
  206   2H5*    G  20          2H5*        G  20  -5.392 -11.329  29.087
  207    H4*    G  20           H4*        G  20  -6.792 -10.445  27.229
  208    H3*    G  20           H3*        G  20  -4.895 -12.733  26.761
  209    H2*    G  20          1H2*        G  20  -6.995 -12.063  24.724
  210   2HO*    G  20          2HO*        G  20  -5.828 -13.555  23.836
  211    H1*    G  20           H1*        G  20  -6.206 -10.041  24.202
  212    H8     G  20           H8         G  20  -2.652 -10.355  25.431
  213    H1     G  20           H1         G  20  -3.212 -11.074  19.035
  214   1H2     G  20          1H2         G  20  -5.339 -11.361  18.522
  215   2H2     G  20          2H2         G  20  -6.568 -11.250  19.786
  216   1H5*    A  21          1H5*        A  21  -7.489 -16.709  24.881
  217   2H5*    A  21          2H5*        A  21  -5.942 -15.873  24.637
  218    H4*    A  21           H4*        A  21  -8.432 -15.414  22.935
  219    H3*    A  21           H3*        A  21  -5.944 -17.084  22.460
  220    H2*    A  21          1H2*        A  21  -6.210 -16.607  20.126
  221   2HO*    A  21          2HO*        A  21  -8.571 -16.738  20.103
  222    H1*    A  21           H1*        A  21  -6.736 -13.946  20.515
  223    H8     A  21           H8         A  21  -4.047 -14.608  23.036
  224   1H6     A  21          1H6         A  21  -0.137 -13.727  18.255
  225   2H6     A  21          2H6         A  21  -0.300 -13.670  20.005
  226    H2     A  21           H2         A  21  -4.063 -14.809  16.619
  227   1H5*    G  22          1H5*        G  22  -8.690 -19.587  18.124
  228   2H5*    G  22          2H5*        G  22  -7.283 -20.292  18.917
  229    H4*    G  22           H4*        G  22  -7.356 -17.395  17.933
  230    H3*    G  22           H3*        G  22  -6.556 -19.917  16.478
  231    H2*    G  22          1H2*        G  22  -4.961 -18.603  15.247
  232   2HO*    G  22          2HO*        G  22  -6.324 -16.610  15.222
  233    H1*    G  22           H1*        G  22  -4.380 -19.447  17.297
  234    H8     G  22           H8         G  22  -3.471 -17.572  19.841
  235    H1     G  22           H1         G  22   0.825 -17.473  15.044
  236   1H2     G  22          1H2         G  22  -1.912 -18.166  13.129
  237   2H2     G  22          2H2         G  22  -0.162 -17.938  13.166
  238   1H5*    C  23          1H5*        C  23  -7.269 -22.236  13.765
  239   2H5*    C  23          2H5*        C  23  -6.345 -21.510  15.084
  240    H4*    C  23           H4*        C  23  -5.506 -21.473  12.149
  241    H3*    C  23           H3*        C  23  -4.612 -23.153  14.519
  242    H2*    C  23          1H2*        C  23  -2.500 -23.360  13.371
  243   2HO*    C  23          2HO*        C  23  -3.664 -23.343  11.165
  244    H1*    C  23           H1*        C  23  -2.413 -20.686  12.754
  245   1H4     C  23          1H4         C  23  -0.631 -20.474  19.028
  246   2H4     C  23          2H4         C  23   0.793 -20.386  17.980
  247    H5     C  23           H5         C  23  -2.828 -21.066  18.095
  248    H6     C  23           H6         C  23  -4.036 -21.391  15.994
  249   1H5*    C  24          1H5*        C  24  -2.995 -25.330  11.376
  250   2H5*    C  24          2H5*        C  24  -3.159 -27.060  11.690
  251    H4*    C  24           H4*        C  24  -0.813 -26.433  11.368
  252    H3*    C  24           H3*        C  24  -1.466 -27.221  14.227
  253    H2*    C  24          1H2*        C  24   0.879 -27.196  14.608
  254   2HO*    C  24          2HO*        C  24   1.361 -28.243  12.476
  255    H1*    C  24           H1*        C  24   1.319 -24.944  12.978
  256   1H4     C  24          1H4         C  24   0.097 -23.598  19.364
  257   2H4     C  24          2H4         C  24   1.812 -23.330  19.029
  258    H5     C  24           H5         C  24  -1.444 -24.317  17.625
  259    H6     C  24           H6         C  24  -1.603 -25.029  15.285
  260   1H    GLU   8          1H        GLU   8  -1.007   7.402   3.792
  261   2H    GLU   8          2H        GLU   8  -0.575   5.848   3.517
  262   3H    GLU   8          3H        GLU   8   0.576   6.987   3.735
  263    HA   GLU   8           HA       GLU   8   0.392   5.638   5.704
  264   1HB   GLU   8          2HB       GLU   8  -0.594   8.492   6.063
  265   2HB   GLU   8          1HB       GLU   8  -0.153   7.412   7.392
  266   1HG   GLU   8          2HG       GLU   8   2.128   7.156   6.431
  267   2HG   GLU   8          1HG       GLU   8   1.709   8.299   5.150
  268    H    SER   9           H        SER   9  -2.653   7.564   5.650
  269    HA   SER   9           HA       SER   9  -4.790   7.109   6.064
  270   1HB   SER   9          2HB       SER   9  -4.165   4.268   5.228
  271   2HB   SER   9          1HB       SER   9  -5.756   5.045   5.262
  272    HG   SER   9           HG       SER   9  -4.823   5.098   3.165
  273    H    LYS  10           H        LYS  10  -2.616   5.521   8.039
  274    HA   LYS  10           HA       LYS  10  -2.646   4.578  10.127
  275   1HB   LYS  10          2HB       LYS  10  -4.700   6.759  10.634
  276   2HB   LYS  10          1HB       LYS  10  -3.642   5.996  11.824
  277   1HG   LYS  10          2HG       LYS  10  -2.756   7.764   9.508
  278   2HG   LYS  10          1HG       LYS  10  -2.898   8.247  11.195
  279   1HD   LYS  10          2HD       LYS  10  -1.104   6.711  11.857
  280   2HD   LYS  10          1HD       LYS  10  -0.990   6.087  10.194
  281   1HE   LYS  10          2HE       LYS  10  -0.478   8.384   9.384
  282   2HE   LYS  10          1HE       LYS  10  -0.470   8.970  11.048
  283   1HZ   LYS  10          1HZ       LYS  10   1.307   6.766  10.169
  284   2HZ   LYS  10          2HZ       LYS  10   1.471   7.711  11.498
  285   3HZ   LYS  10          3HZ       LYS  10   1.738   8.318   9.983
  286    H    GLY  11           H        GLY  11  -5.885   5.251  11.042
  287   1HA   GLY  11          2HA       GLY  11  -7.737   3.924  11.433
  288   2HA   GLY  11          1HA       GLY  11  -7.154   2.833  10.183
  289    H    THR  12           H        THR  12  -4.867   3.162  12.714
  290    HA   THR  12           HA       THR  12  -5.063   0.405  13.503
  291    HB   THR  12           HB       THR  12  -3.326   0.929  15.129
  292    HG1  THR  12           HG1      THR  12  -2.614   3.102  15.287
  293   1HG2  THR  12          1HG2      THR  12  -1.588   1.793  13.693
  294   2HG2  THR  12          2HG2      THR  12  -2.772   2.521  12.593
  295   3HG2  THR  12          3HG2      THR  12  -2.652   0.752  12.730
  296    H    ALA  13           H        ALA  13  -5.219  -0.329  15.824
  297    HA   ALA  13           HA       ALA  13  -7.645   0.394  17.115
  298   1HB   ALA  13          1HB       ALA  13  -6.479  -1.746  17.464
  299   2HB   ALA  13          2HB       ALA  13  -6.756  -0.915  19.004
  300   3HB   ALA  13          3HB       ALA  13  -5.136  -0.902  18.274
  301    H    LYS  14           H        LYS  14  -4.329   1.575  17.626
  302    HA   LYS  14           HA       LYS  14  -4.875   3.338  19.854
  303   1HB   LYS  14          2HB       LYS  14  -2.650   3.494  17.769
  304   2HB   LYS  14          1HB       LYS  14  -2.719   4.371  19.305
  305   1HG   LYS  14          2HG       LYS  14  -2.846   2.130  20.485
  306   2HG   LYS  14          1HG       LYS  14  -2.558   1.347  18.931
  307   1HD   LYS  14          2HD       LYS  14  -0.484   1.401  20.063
  308   2HD   LYS  14          1HD       LYS  14  -0.370   2.608  18.771
  309   1HE   LYS  14          2HE       LYS  14  -0.751   4.420  20.370
  310   2HE   LYS  14          1HE       LYS  14  -1.132   3.265  21.655
  311   1HZ   LYS  14          1HZ       LYS  14   1.132   2.511  21.643
  312   2HZ   LYS  14          2HZ       LYS  14   1.149   4.139  21.786
  313   3HZ   LYS  14          3HZ       LYS  14   1.530   3.450  20.353
  314    H    SER  15           H        SER  15  -4.858   3.902  16.346
  315    HA   SER  15           HA       SER  15  -5.472   6.712  16.407
  316   1HB   SER  15          2HB       SER  15  -6.260   4.676  14.279
  317   2HB   SER  15          1HB       SER  15  -6.213   6.435  14.097
  318    HG   SER  15           HG       SER  15  -4.031   4.666  14.570
  319    H    ARG  16           H        ARG  16  -7.633   3.865  16.155
  320    HA   ARG  16           HA       ARG  16 -10.104   5.405  16.275
  321   1HB   ARG  16          2HB       ARG  16  -9.437   2.455  16.629
  322   2HB   ARG  16          1HB       ARG  16 -11.085   3.088  16.775
  323   1HG   ARG  16          2HG       ARG  16 -11.014   4.016  14.526
  324   2HG   ARG  16          1HG       ARG  16  -9.332   3.524  14.306
  325   1HD   ARG  16          2HD       ARG  16 -11.582   1.546  14.839
  326   2HD   ARG  16          1HD       ARG  16 -11.128   2.077  13.223
  327    HE   ARG  16           HE       ARG  16  -8.867   1.169  13.562
  328   1HH1  ARG  16          1HH1      ARG  16 -11.294  -0.178  15.711
  329   2HH1  ARG  16          2HH1      ARG  16 -10.444  -1.704  15.811
  330   1HH2  ARG  16          1HH2      ARG  16  -7.857  -0.720  13.787
  331   2HH2  ARG  16          2HH2      ARG  16  -8.434  -1.915  14.939
  332    H    TYR  17           H        TYR  17  -8.115   3.919  18.819
  333    HA   TYR  17           HA       TYR  17  -9.896   4.389  20.963
  334   1HB   TYR  17          2HB       TYR  17  -7.893   2.977  21.128
  335   2HB   TYR  17          1HB       TYR  17  -6.863   4.404  21.027
  336    HD1  TYR  17           HD1      TYR  17  -6.309   5.610  23.020
  337    HD2  TYR  17           HD2      TYR  17  -9.580   2.791  23.044
  338    HE1  TYR  17           HE1      TYR  17  -6.553   5.899  25.491
  339    HE2  TYR  17           HE2      TYR  17  -9.850   3.140  25.506
  340    HH   TYR  17           HH       TYR  17  -7.821   5.432  27.362
  341    H    LYS  18           H        LYS  18  -7.884   6.741  19.259
  342    HA   LYS  18           HA       LYS  18  -7.944   8.855  21.168
  343   1HB   LYS  18          2HB       LYS  18  -6.579   8.794  19.094
  344   2HB   LYS  18          1HB       LYS  18  -8.042   9.090  18.134
  345   1HG   LYS  18          2HG       LYS  18  -8.354  11.262  19.126
  346   2HG   LYS  18          1HG       LYS  18  -7.076  10.969  20.328
  347   1HD   LYS  18          2HD       LYS  18  -5.381  10.932  18.566
  348   2HD   LYS  18          1HD       LYS  18  -6.631  11.107  17.312
  349   1HE   LYS  18          2HE       LYS  18  -7.272  13.304  18.191
  350   2HE   LYS  18          1HE       LYS  18  -6.152  13.122  19.553
  351   1HZ   LYS  18          1HZ       LYS  18  -4.316  13.118  18.037
  352   2HZ   LYS  18          2HZ       LYS  18  -5.197  14.473  17.768
  353   3HZ   LYS  18          3HZ       LYS  18  -5.294  13.222  16.714
  354    H    ALA  19           H        ALA  19 -10.549   7.722  19.083
  355    HA   ALA  19           HA       ALA  19 -12.395   9.886  19.846
  356   1HB   ALA  19          1HB       ALA  19 -14.084   8.483  18.749
  357   2HB   ALA  19          2HB       ALA  19 -12.923   7.150  18.598
  358   3HB   ALA  19          3HB       ALA  19 -12.657   8.668  17.713
  359    H    ARG  20           H        ARG  20 -11.919   6.479  20.767
  360    HA   ARG  20           HA       ARG  20 -13.949   6.297  22.761
  361   1HB   ARG  20          2HB       ARG  20 -12.845   4.431  21.543
  362   2HB   ARG  20          1HB       ARG  20 -11.397   4.658  22.529
  363   1HG   ARG  20          2HG       ARG  20 -12.405   3.849  24.472
  364   2HG   ARG  20          1HG       ARG  20 -14.047   4.197  23.919
  365   1HD   ARG  20          2HD       ARG  20 -12.283   2.094  22.608
  366   2HD   ARG  20          1HD       ARG  20 -13.372   1.735  23.958
  367    HE   ARG  20           HE       ARG  20 -15.027   3.012  22.164
  368   1HH1  ARG  20          1HH1      ARG  20 -13.019   0.128  21.792
  369   2HH1  ARG  20          2HH1      ARG  20 -14.133  -0.545  20.627
  370   1HH2  ARG  20          1HH2      ARG  20 -16.332   2.088  20.676
  371   2HH2  ARG  20          2HH2      ARG  20 -15.929   0.529  20.012
  372    H    ARG  21           H        ARG  21 -10.722   7.580  23.088
  373    HA   ARG  21           HA       ARG  21 -10.382   7.880  25.870
  374   1HB   ARG  21          2HB       ARG  21  -9.893   9.786  23.562
  375   2HB   ARG  21          1HB       ARG  21  -9.565  10.283  25.209
  376   1HG   ARG  21          2HG       ARG  21  -8.329   7.773  24.020
  377   2HG   ARG  21          1HG       ARG  21  -7.602   9.367  23.829
  378   1HD   ARG  21          2HD       ARG  21  -8.182   8.030  26.505
  379   2HD   ARG  21          1HD       ARG  21  -6.606   8.093  25.700
  380    HE   ARG  21           HE       ARG  21  -7.219  10.752  25.853
  381   1HH1  ARG  21          1HH1      ARG  21  -7.019   8.289  28.382
  382   2HH1  ARG  21          2HH1      ARG  21  -6.705   9.538  29.569
  383   1HH2  ARG  21          1HH2      ARG  21  -6.844  12.104  27.307
  384   2HH2  ARG  21          2HH2      ARG  21  -6.750  11.732  29.036
  385    H    ALA  22           H        ALA  22 -12.423  10.019  23.824
  386    HA   ALA  22           HA       ALA  22 -13.387  11.627  25.976
  387   1HB   ALA  22          1HB       ALA  22 -14.693  10.995  23.295
  388   2HB   ALA  22          2HB       ALA  22 -13.494  12.275  23.597
  389   3HB   ALA  22          3HB       ALA  22 -15.090  12.354  24.365
  390    H    GLU  23           H        GLU  23 -14.708   8.631  24.569
  391    HA   GLU  23           HA       GLU  23 -17.114   8.526  26.164
  392   1HB   GLU  23          2HB       GLU  23 -15.560   6.251  24.864
  393   2HB   GLU  23          1HB       GLU  23 -17.198   6.151  25.491
  394   1HG   GLU  23          2HG       GLU  23 -16.294   7.900  23.158
  395   2HG   GLU  23          1HG       GLU  23 -17.128   6.360  23.033
  396    H    LEU  24           H        LEU  24 -13.825   7.260  26.728
  397    HA   LEU  24           HA       LEU  24 -14.435   6.007  29.262
  398   1HB   LEU  24          2HB       LEU  24 -12.473   5.369  27.953
  399   2HB   LEU  24          1HB       LEU  24 -11.818   7.001  28.068
  400    HG   LEU  24           HG       LEU  24 -11.569   6.760  30.516
  401   1HD1  LEU  24          1HD1      LEU  24 -12.515   3.893  30.058
  402   2HD1  LEU  24          2HD1      LEU  24 -13.341   5.127  31.038
  403   3HD1  LEU  24          3HD1      LEU  24 -11.774   4.503  31.554
  404   1HD2  LEU  24          1HD2      LEU  24 -10.308   4.496  28.944
  405   2HD2  LEU  24          2HD2      LEU  24  -9.720   5.155  30.488
  406   3HD2  LEU  24          3HD2      LEU  24  -9.713   6.168  29.039
  407    H    ILE  25           H        ILE  25 -13.012   9.203  28.463
  408    HA   ILE  25           HA       ILE  25 -12.647  10.205  31.072
  409    HB   ILE  25           HB       ILE  25 -13.230  11.588  28.446
  410   1HG1  ILE  25          2HG1      ILE  25 -10.643  11.594  30.062
  411   2HG1  ILE  25          1HG1      ILE  25 -11.013  10.270  28.976
  412   1HG2  ILE  25          1HG2      ILE  25 -13.965  13.176  30.161
  413   2HG2  ILE  25          2HG2      ILE  25 -12.427  13.713  29.514
  414   3HG2  ILE  25          3HG2      ILE  25 -12.475  12.907  31.094
  415   1HD1  ILE  25          1HD1      ILE  25 -11.209  11.862  27.066
  416   2HD1  ILE  25          2HD1      ILE  25  -9.607  11.865  27.821
  417   3HD1  ILE  25          3HD1      ILE  25 -10.741  13.187  28.145
  418    H    ALA  26           H        ALA  26 -15.670  10.077  29.221
  419    HA   ALA  26           HA       ALA  26 -17.297  11.676  30.883
  420   1HB   ALA  26          1HB       ALA  26 -18.071   9.195  29.301
  421   2HB   ALA  26          2HB       ALA  26 -17.901  10.836  28.632
  422   3HB   ALA  26          3HB       ALA  26 -19.157  10.492  29.836
  423    H    GLU  27           H        GLU  27 -15.935   8.599  31.716
  424    HA   GLU  27           HA       GLU  27 -17.472   8.683  34.288
  425   1HB   GLU  27          2HB       GLU  27 -17.508   6.271  34.423
  426   2HB   GLU  27          1HB       GLU  27 -18.392   6.857  33.017
  427   1HG   GLU  27          2HG       GLU  27 -16.516   6.225  31.537
  428   2HG   GLU  27          1HG       GLU  27 -15.569   5.701  32.934
  429    H    ARG  28           H        ARG  28 -14.361   8.032  32.760
  430    HA   ARG  28           HA       ARG  28 -12.879   7.387  35.161
  431   1HB   ARG  28          2HB       ARG  28 -12.257   6.944  32.719
  432   2HB   ARG  28          1HB       ARG  28 -11.871   8.657  32.586
  433   1HG   ARG  28          2HG       ARG  28 -10.309   8.039  34.735
  434   2HG   ARG  28          1HG       ARG  28 -10.447   6.433  34.031
  435   1HD   ARG  28          2HD       ARG  28  -8.462   7.421  33.159
  436   2HD   ARG  28          1HD       ARG  28  -9.632   7.437  31.830
  437    HE   ARG  28           HE       ARG  28  -9.940   9.935  33.093
  438   1HH1  ARG  28          1HH2      ARG  28  -7.137   8.410  31.589
  439   2HH1  ARG  28          2HH2      ARG  28  -6.334   9.980  31.474
  440   1HH2  ARG  28          1HH1      ARG  28  -9.072  11.694  32.689
  441   2HH2  ARG  28          2HH1      ARG  28  -7.595  11.848  31.709
  442    H    ARG  29           H        ARG  29 -13.759  10.393  33.621
  443    HA   ARG  29           HA       ARG  29 -13.164  12.573  33.794
  444   1HB   ARG  29          2HB       ARG  29 -13.098  11.998  36.780
  445   2HB   ARG  29          1HB       ARG  29 -13.187  13.593  36.023
  446   1HG   ARG  29          2HG       ARG  29 -15.375  13.011  35.006
  447   2HG   ARG  29          1HG       ARG  29 -15.300  11.407  35.747
  448   1HD   ARG  29          2HD       ARG  29 -16.726  12.772  37.114
  449   2HD   ARG  29          1HD       ARG  29 -15.245  12.435  38.001
  450    HE   ARG  29           HE       ARG  29 -14.673  14.690  37.956
  451   1HH1  ARG  29          1HH1      ARG  29 -17.420  14.317  35.811
  452   2HH1  ARG  29          2HH1      ARG  29 -17.643  16.043  35.676
  453   1HH2  ARG  29          1HH2      ARG  29 -15.013  16.844  37.733
  454   2HH2  ARG  29          2HH2      ARG  29 -16.318  17.423  36.734