Detailed results of SR213_NMR_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  2023
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   419
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   498
#          BACKBONE-BACKBONE                :        91
#          BACKBONE-SIDE CHAIN              :        24
#          SIDE CHAIN-SIDE CHAIN            :       383
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   626
#          BACKBONE-BACKBONE                :       249
#          BACKBONE-SIDE CHAIN              :       197
#          SIDE CHAIN-SIDE CHAIN            :       180
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   480
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  2023
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    0.0    0.0    0.0    0.0    0.0
 LEU     2      0    0.0    0.0    0.0    0.0    0.0
 SER     3      0    0.0    0.0    0.0    0.0    0.0
 GLN     4      0    0.0    0.0    0.0    0.0    0.0
 THR     5      0    0.0    0.0    0.0    0.0    0.0
 LEU     6      1   16.5    1.0    3.0   12.5    0.0
 LEU     7      2   20.5    4.5    8.5    7.5    0.0
 GLU     8      6    9.5    6.5    3.0    0.0    0.0
 MET     9      5   15.5    4.5    4.5    6.5    0.0
 THR    10      2   28.0    3.5   10.5   14.0    0.0
 GLU    11      5   16.5    5.5   11.0    0.0    0.0
 GLN    12     13   23.0    7.0   11.5    4.5    0.0
 MET    13      7   25.0    6.5    7.0   11.5    0.0
 ILE    14      3   29.0    6.0   11.0   12.0    0.0
 GLU    15      8   19.0    8.0   10.5    0.5    0.0
 VAL    16      3   25.0    7.5   10.0    7.5    0.0
 ALA    17      0   16.0    4.0    5.5    6.5    0.0
 GLU    18      8   17.0    4.5    7.5    5.0    0.0
 LYS    19     11   14.0    6.0    8.0    0.0    0.0
 GLY    20      0   10.5    3.5    5.5    1.5    0.0
 ALA    21      0   16.0    2.5    7.5    6.0    0.0
 ASP    22      1    9.0    2.5    6.5    0.0    0.0
 ARG    23      2    8.0    2.5    5.5    0.0    0.0
 TYR    24      3   16.0    5.0    5.5    5.5    0.0
 GLN    25      2    8.5    4.5    4.0    0.0    0.0
 GLU    26      3    3.5    1.5    2.0    0.0    0.0
 GLY    27      0    0.0    0.0    0.0    0.0    0.0
 LYS    28      0    0.0    0.0    0.0    0.0    0.0
 ASN    29      0    0.0    0.0    0.0    0.0    0.0
 SER    30      0    0.0    0.0    0.0    0.0    0.0
 ASN    31      0    0.0    0.0    0.0    0.0    0.0
 HIS    32      0    0.0    0.0    0.0    0.0    0.0
 SER    33      0    0.0    0.0    0.0    0.0    0.0
 TYR    34      0    3.0    0.0    0.0    3.0    0.0
 ASP    35      0    0.0    0.0    0.0    0.0    0.0
 PHE    36      0    8.5    1.0    4.5    3.0    0.0
 PHE    37      0    5.5    2.0    3.5    0.0    0.0
 GLU    38     10    3.5    3.5    0.0    0.0    0.0
 THR    39      1    7.0    4.5    0.0    2.5    0.0
 ILE    40      5   18.5    5.0    8.0    5.5    0.0
 LYS    41      0   10.5    5.5    4.0    1.0    0.0
 PRO    42      0    4.5    3.5    1.0    0.0    0.0
 ALA    43      1   12.0    2.0    8.5    1.5    0.0
 VAL    44      2   11.0    3.0    6.0    2.0    0.0
 GLU    45      8   10.0    4.5    5.5    0.0    0.0
 GLU    46      4   14.0    5.0    9.0    0.0    0.0
 ASN    47      5   20.5    4.0    9.5    7.0    0.0
 ASP    48      2   13.0    4.0    6.0    3.0    0.0
 GLU    49      6   12.5    5.0    7.5    0.0    0.0
 LEU    50      8   26.5    5.5    9.5   11.5    0.0
 ALA    51      0   16.5    4.5    7.5    4.5    0.0
 ALA    52      0    9.5    2.5    7.0    0.0    0.0
 ARG    53      7   11.0    5.0    6.0    0.0    0.0
 TRP    54      3   44.5    8.5    9.5   26.5    0.0
 ALA    55      1   17.0    7.0    7.0    3.0    0.0
 GLU    56     11   16.0    5.5   10.5    0.0    0.0
 GLY    57      0   14.5    3.5    7.5    3.5    0.0
 ALA    58      0   20.5    1.5   10.0    9.0    0.0
 LEU    59      8   24.5    4.5   12.0    8.0    0.0
 GLU    60      4   18.5    6.5   12.0    0.0    0.0
 LEU    61      5   17.5    7.0    7.5    3.0    0.0
 ILE    62      5   21.5    6.5    5.0   10.0    0.0
 LYS    63     11   16.0    9.5    6.5    0.0    0.0
 VAL    64      6   13.5   10.5    3.0    0.0    0.0
 ARG    65      1    6.0    3.5    2.5    0.0    0.0
 ARG    66      0    0.0    0.0    0.0    0.0    0.0
 PRO    67      0    0.5    0.0    0.0    0.5    0.0
 LYS    68     10    7.5    6.0    1.0    0.5    0.0
 TYR    69      0   13.5    8.0    0.0    5.5    0.0
 VAL    70      3   21.5    4.5    2.0   15.0    0.0
 HIS    71      4    7.0    2.5    3.0    1.5    0.0
 LYS    72      3   12.0    2.5    4.0    5.5    0.0
 GLU    73      9    9.0    5.5    3.5    0.0    0.0
 GLN    74      9   13.5    6.5    6.0    1.0    0.0
 ILE    75      7   38.0    8.0    6.5   23.5    0.0
 GLU    76      6   18.5    7.0    8.0    3.5    0.0
 ALA    77      1   11.0    4.0    7.0    0.0    0.0
 VAL    78      3   31.0    4.5   13.5   13.0    0.0
 LYS    79     12   16.0    7.5    6.5    2.0    0.0
 ASP    80      2   11.0    6.5    4.5    0.0    0.0
 ASN    81      5   19.0    4.5    9.5    5.0    0.0
 PHE    82      2   31.0    8.0   10.0   13.0    0.0
 LEU    83      9   20.0    8.5    7.0    4.5    0.0
 GLU    84      0   12.0    4.5    5.5    2.0    0.0
 LEU    85      5   30.5    6.0    6.0   18.5    0.0
 VAL    86      2   20.5    6.5    6.5    7.5    0.0
 LEU    87      7   11.5    5.0    4.5    2.0    0.0
 GLN    88      2   11.0    4.5    3.0    3.5    0.0
 SER    89      0    6.0    2.0    2.5    1.5    0.0
 TYR    90      3   10.5    3.5    2.5    4.5    0.0
 VAL    91      1   14.0    6.5    5.0    2.5    0.0
 HIS    92      2    8.0    4.0    1.0    3.0    0.0
 HIS    93      1    7.0    3.5    2.5    1.0    0.0
 ILE    94      4   12.0    3.5    0.0    8.5    0.0
 HIS    95      0    0.5    0.5    0.0    0.0    0.0
 LYS    96      0    2.0    0.0    0.0    2.0    0.0
 LYS    97      3    2.0    1.0    1.0    0.0    0.0
 ARG    98      0    4.5    2.0    2.5    0.0    0.0
 PHE    99      2   19.5    2.5    4.5   12.5    0.0
 LYS   100     13    9.0    6.0    3.0    0.0    0.0
 ASP   101      2   11.5    6.0    5.5    0.0    0.0
 ILE   102      5   23.5    5.5    8.5    9.5    0.0
 THR   103      3   16.0    5.5    5.5    5.0    0.0
 GLU   104      9   12.0    5.5    6.5    0.0    0.0
 SER   105      1   11.0    5.5    5.5    0.0    0.0
 VAL   106      3   26.5    4.0    9.0   13.5    0.0
 LEU   107      9   26.0    5.5   10.5   10.0    0.0
 TYR   108      2   14.0    6.0    7.0    1.0    0.0
 THR   109      1   17.5    5.0    5.0    7.5    0.0
 LEU   110      9   30.5    6.0   12.5   12.0    0.0
 HIS   111      5   20.0    6.0   11.0    3.0    0.0
 ALA   112      1   18.5    5.0    7.5    6.0    0.0
 VAL   113      2   31.0    6.5   10.0   14.5    0.0
 LYS   114     10   27.5    6.5    9.0   12.0    0.0
 ASP   115      4   11.5    4.5    6.5    0.5    0.0
 GLU   116      6   13.0    4.5    5.5    3.0    0.0
 ILE   117      5   25.0    7.5    8.0    9.5    0.0
 ALA   118      1    8.0    5.5    2.0    0.5    0.0
 ARG   119      6    5.5    1.0    3.5    1.0    0.0
 GLU   120      5    1.5    0.0    1.5    0.0    0.0
 ASP   121      0    0.0    0.0    0.0    0.0    0.0
 SER   122      0    0.0    0.0    0.0    0.0    0.0
 ARG   123      1    0.0    0.0    0.0    0.0    0.0
# TOTAL        419 1604.0  498.0  626.0  480.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 2023.0

List of conformationally-resticting NOE constraints

 assign ((resid   7 and name HN   ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HB2  ))   ( (resid   8 and name HN   )) assign ((resid   7 and name HB1  ))   ( (resid   8 and name HN   )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB2  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB1  )) assign ((resid   8 and name HN   ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HN   ))   ( (resid  10 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HB2  ))   ( (resid   9 and name HN   )) assign ((resid   8 and name HB1  ))   ( (resid   9 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   8 and name HA   ))   ( (resid  10 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid  10 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  10 and name HB   )) assign ((resid  10 and name HN   ))   ( (resid  11 and name HN   )) assign ((resid   7 and name HA   ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HB   ))   ( (resid  11 and name HN   )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB2  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB1  )) assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid   8 and name HA   ))   ( (resid  12 and name HN   )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HN   )) assign ((resid  10 and name HN   ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB1  ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB2  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB1  )) assign ((resid  12 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  11 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB2  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB1  ))   ( (resid  13 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB2  )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB1  )) assign ((resid  10 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HB2  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HB1  ))   ( (resid  14 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid  14 and name HB   )) assign ((resid  11 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  13 and name HN   ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HB   ))   ( (resid  15 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB2  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB1  )) assign ((resid  15 and name HN   ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB1  ))   ( (resid  16 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HB   )) assign ((resid  16 and name HN   ))   ( (resid  18 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  15 and name HA   ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HB   ))   ( (resid  17 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  19 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  18 and name HN   )) assign ((resid  15 and name HA   ))   ( (resid  18 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HB2  )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HB1  )) assign ((resid  18 and name HN   ))   ( (resid  19 and name HN   )) assign ((resid  15 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HB2  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HB1  ))   ( (resid  19 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB1  ))   ( (resid  20 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  21 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  21 and name HN   )) assign ((resid  19 and name HN   ))   ( (resid  21 and name HN   )) assign ((resid  20 and name HN   ))   ( (resid  21 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  22 and name HN   )) assign ((resid  20 and name HN   ))   ( (resid  22 and name HN   )) assign ((resid  20 and name HA2  ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HN   ))   ( (resid  22 and name HN   )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HB*  )) assign ((resid  22 and name HN   ))   ( (resid  23 and name HN   )) assign ((resid  19 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  20 and name HA2  ))   ( (resid  23 and name HN   )) assign ((resid  21 and name HN   ))   ( (resid  23 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  )) assign ((resid  20 and name HA2  ))   ( (resid  24 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  22 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  22 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB2  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB1  )) assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   )) assign ((resid  21 and name HA   ))   ( (resid  25 and name HN   )) assign ((resid  23 and name HA   ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB2  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB1  ))   ( (resid  25 and name HN   )) assign ((resid  25 and name HN   ))   ( (resid  25 and name HB1  )) assign ((resid  23 and name HA   ))   ( (resid  26 and name HN   )) assign ((resid  24 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  24 and name HA   ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HB2  ))   ( (resid  26 and name HN   )) assign ((resid  36 and name HB2  ))   ( (resid  37 and name HN   )) assign ((resid  36 and name HB1  ))   ( (resid  37 and name HN   )) assign ((resid  37 and name HN   ))   ( (resid  38 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HN   )) assign ((resid  39 and name HN   ))   ( (resid  39 and name HB   )) assign ((resid  39 and name HN   ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB   ))   ( (resid  40 and name HN   )) assign ((resid  40 and name HN   ))   ( (resid  40 and name HB   )) assign ((resid  40 and name HN   ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HB   ))   ( (resid  41 and name HN   )) assign ((resid  42 and name HB2  ))   ( (resid  43 and name HN   )) assign ((resid  43 and name HN   ))   ( (resid  44 and name HN   )) assign ((resid  44 and name HN   ))   ( (resid  44 and name HB   )) assign ((resid  44 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  43 and name HN   ))   ( (resid  45 and name HN   )) assign ((resid  43 and name HA   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HN   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HB   ))   ( (resid  45 and name HN   )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HB1  )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HB2  )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HN   ))   ( (resid  47 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HB1  ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HB2  ))   ( (resid  46 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HB2  )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HB1  )) assign ((resid  43 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HB2  ))   ( (resid  47 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HB2  )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HB1  )) assign ((resid  47 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB2  ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB1  ))   ( (resid  48 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB2  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB1  )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  50 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  49 and name HN   )) assign ((resid  47 and name HA   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB2  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB1  ))   ( (resid  49 and name HN   )) assign ((resid  46 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  47 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  48 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HN   ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HB*  ))   ( (resid  50 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HB2  )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HB1  )) assign ((resid  47 and name HA   ))   ( (resid  51 and name HN   )) assign ((resid  49 and name HN   ))   ( (resid  51 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HB2  ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HB1  ))   ( (resid  51 and name HN   )) assign ((resid  48 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  52 and name HN   )) assign ((resid  50 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HN   ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  52 and name HN   ))   ( (resid  54 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  53 and name HN   )) assign ((resid  50 and name HA   ))   ( (resid  53 and name HN   )) assign ((resid  51 and name HN   ))   ( (resid  53 and name HN   )) assign ((resid  52 and name HN   ))   ( (resid  53 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB2  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB1  )) assign ((resid  53 and name HN   ))   ( (resid  54 and name HN   )) assign 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and name HN   ))   ( (resid  59 and name HG   )) assign ((resid  59 and name HG   ))   ( (resid  60 and name HN   )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HG   )) assign ((resid  62 and name HN   ))   ( (resid  62 and name HG1* )) assign ((resid  62 and name HG1* ))   ( (resid  63 and name HN   )) assign ((resid  63 and name HG1  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD2  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD1  ))   ( (resid  64 and name HN   )) assign ((resid  72 and name HG*  ))   ( (resid  73 and name HN   )) assign ((resid  74 and name HG1  ))   ( (resid  75 and name HN   )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG12 )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG11 )) assign ((resid  75 and name HG12 ))   ( (resid  76 and name HN   )) assign ((resid  75 and name HG11 ))   ( (resid  76 and name HN   )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG2  )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG1  )) assign ((resid  76 and name HG2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG1  ))   ( (resid  77 and name HN   )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG2  )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG1  )) assign ((resid  79 and name HG1  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HD2  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HD1  ))   ( (resid  80 and name HN   )) assign ((resid  81 and name HA   ))   ( (resid  81 and name HD21 )) assign ((resid  81 and name HA   ))   ( (resid  81 and name HD22 )) assign ((resid  82 and name HD*  ))   ( (resid  83 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HG   )) assign ((resid  83 and name HG   ))   ( (resid  84 and name HN   )) assign ((resid  84 and name HG*  ))   ( (resid  85 and name HN   )) assign ((resid  85 and name HN   ))   ( (resid  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name HE1  )) assign ((resid  10 and name HA   ))   ( (resid  54 and name HE1  )) assign ((resid  54 and name HE3  ))   ( (resid  55 and name HN   )) assign ((resid  74 and name HE22 ))   ( (resid 108 and name HE*  )) assign ((resid  74 and name HE21 ))   ( (resid 108 and name HE*  )) assign ((resid  54 and name HZ3  ))   ( (resid  78 and name HN   )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HD21 )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HD22 )) assign ((resid  89 and name HN   ))   ( (resid  99 and name HE*  )) assign ((resid  90 and name HN   ))   ( (resid  90 and name HE*  )) assign ((resid  24 and name HD*  ))   ( (resid  92 and name HN   )) assign ((resid  24 and name HE*  ))   ( (resid  92 and name HN   )) assign ((resid  85 and name HG   ))   ( (resid 103 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG1  )) assign ((resid 109 and name HN   ))   ( (resid 110 and name HG   )) assign ((resid  13 and name HG*  )) 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(resid  78 and name HB   )) assign ((resid  79 and name HA   ))   ( (resid  82 and name HB1  )) assign ((resid  79 and name HA   ))   ( (resid  82 and name HB2  )) assign ((resid  81 and name HA   ))   ( (resid  84 and name HB*  )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HB2  )) assign ((resid  83 and name HA   ))   ( (resid  86 and name HB   )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HB1  )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HB1  )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HB2  )) assign ((resid  84 and name HA   ))   ( (resid  87 and name HB1  )) assign ((resid  84 and name HA   ))   ( (resid  87 and name HB2  )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HB1  )) assign ((resid  85 and name HB1  ))   ( (resid  86 and name HN   )) assign ((resid  86 and name HA   ))   ( (resid  89 and name HN   )) assign ((resid  87 and name HN   ))   ( (resid  87 and name HB1  )) assign ((resid  99 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assign ((resid 102 and name HA   ))   ( (resid 105 and name HB*  )) assign ((resid 105 and name HN   ))   ( (resid 105 and name HB*  )) assign ((resid 105 and name HB*  ))   ( (resid 106 and name HN   )) assign ((resid 106 and name HA   ))   ( (resid 109 and name HB   )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB2  )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB1  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB2  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HB2  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HB1  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB1  )) assign ((resid 113 and name HA   ))   ( (resid 116 and name HN   )) assign ((resid 113 and name HA   ))   ( (resid 116 and name HB1  )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HB   )) assign ((resid 114 and name HA   ))   ( (resid 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name HG1  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HD*  )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HD*  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HE*  )) assign ((resid  19 and name HB2  ))   ( (resid  19 and name HE*  )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HG2  )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HG1  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG2  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HG2  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG1  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HG1  )) assign ((resid  38 and name HG1  ))   ( (resid  39 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  45 and name HG2  )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HG1  )) assign ((resid  45 and name HA   ))   ( (resid  45 and name HG1  )) assign ((resid  45 and name HG1  )) 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)) assign ((resid  65 and name HA   ))   ( (resid  65 and name HD*  )) assign ((resid  71 and name HA   ))   ( (resid  71 and name HD2  )) assign ((resid  72 and name HA   ))   ( (resid  72 and name HD*  )) assign ((resid  72 and name HB2  ))   ( (resid  72 and name HE*  )) assign ((resid  72 and name HB1  ))   ( (resid  72 and name HE*  )) assign ((resid  73 and name HA   ))   ( (resid  73 and name HG1  )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HG2  )) assign ((resid  73 and name HA   ))   ( (resid  73 and name HG2  )) assign ((resid  73 and name HG2  ))   ( (resid  74 and name HN   )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HG1  )) assign ((resid  73 and name HG1  ))   ( (resid  74 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG2  )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HG2  )) assign ((resid  74 and name HG2  ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG1  )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HG1  )) assign ((resid  76 and name HA   ))   ( (resid  76 and name HG2  )) assign ((resid  76 and name HA   ))   ( (resid  76 and name HG1  )) assign ((resid  79 and name HG2  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HD2  )) assign ((resid  79 and name HA   ))   ( (resid  79 and name HD2  )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HD1  )) assign ((resid  79 and name HA   ))   ( (resid  79 and name HD1  )) assign ((resid  79 and name HB2  ))   ( (resid  79 and name HE*  )) assign ((resid  79 and name HB1  ))   ( (resid  79 and name HE*  )) assign ((resid  97 and name HB*  ))   ( (resid  97 and name HE*  )) assign ((resid  97 and name HG*  ))   ( (resid  98 and name HN   )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HD*  )) assign ((resid  97 and name HA   ))   ( (resid  97 and name HE*  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG2  )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG1  )) assign ((resid 100 and name HG1  ))   ( (resid 101 and name HN   )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD2  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD1  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HE*  )) assign ((resid 100 and name HB2  ))   ( (resid 100 and name HE*  )) assign ((resid 100 and name HB1  ))   ( (resid 100 and name HE*  )) assign ((resid 102 and name HG12 ))   ( (resid 103 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG2  )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG2  )) assign ((resid 104 and name HG2  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG1  )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG1  )) assign ((resid 104 and name HG1  ))   ( (resid 105 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 107 and name HG   )) assign ((resid 110 and name HA   ))   ( (resid 110 and name HG   )) assign ((resid 114 and name HA   ))   ( (resid 114 and name HD*  )) assign ((resid 114 and name HG2  ))   ( (resid 115 and name HN   )) assign ((resid 114 and name HG1  ))   ( (resid 115 and name HN   )) assign ((resid 119 and name HA   ))   ( (resid 119 and name HD*  )) assign ((resid  13 and name HA   ))   ( (resid  82 and name HE*  )) assign ((resid  14 and name HG1* ))   ( (resid 111 and name HA   )) assign ((resid  14 and name HG1* ))   ( (resid 114 and name HE*  )) assign ((resid  15 and name HG1  ))   ( (resid  19 and name HE*  )) assign ((resid  15 and name HG2  ))   ( (resid  19 and name HE*  )) assign ((resid  15 and name HG1  ))   ( (resid  19 and name HD*  )) assign ((resid  15 and name HG2  ))   ( (resid  19 and name HD*  )) assign ((resid  21 and name HA   ))   ( (resid  99 and name HE*  )) assign ((resid  21 and name HA   ))   ( (resid  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name HD*  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HG1  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HD1  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HG2  )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HG1  )) assign ((resid 120 and name HA   ))   ( (resid 120 and name HG2  )) assign ((resid 120 and name HA   ))   ( (resid 120 and name HG1  )) assign ((resid  71 and name HN   ))   ( (resid  71 and name HD2  )) assign ((resid  34 and name HD*  ))   ( (resid  90 and name HA   )) assign ((resid  92 and name HA   ))   ( (resid  92 and name HD2  )) assign ((resid  92 and name HN   ))   ( (resid  92 and name HD2  )) assign ((resid  93 and name HA   ))   ( (resid  93 and name HD2  )) assign ((resid 111 and name HA   ))   ( (resid 111 and name HD2  )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HD2  )) assign ((resid  24 and name HD*  ))   ( (resid  92 and name HA   )) assign ((resid  24 and name HD*  )) 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assign ((resid  55 and name HN   ))   ( (resid  55 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HA   ))   ( (resid  58 and name HB*  )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HD1* )) assign ((resid  59 and name HA   ))   ( (resid  59 and name HD1* )) assign ((resid  59 and name HB1  ))   ( (resid  59 and name HD1* )) assign ((resid  59 and name HD1* ))   ( (resid  60 and name HN   )) assign ((resid  59 and name HN   ))   ( (resid  59 and name HD2* )) assign ((resid  59 and name HA   ))   ( (resid  59 and name HD2* )) assign ((resid  61 and name HA   ))   ( (resid  61 and name HD2* )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HD1* )) assign ((resid  61 and name HA   ))   ( (resid  61 and name HD1* )) assign ((resid  62 and name HN   ))   ( (resid  62 and name HG2* )) assign ((resid  62 and name HG2* ))   ( (resid  63 and name HN   )) assign ((resid  62 and name HN   ))   ( (resid  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HD1* ))   ( (resid  76 and name HN   )) assign ((resid  74 and name HA   ))   ( (resid  77 and name HB*  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HB*  )) assign ((resid  78 and name HG1* ))   ( (resid  79 and name HN   )) assign ((resid  78 and name HA   ))   ( (resid  78 and name HG2* )) assign ((resid  78 and name HG2* ))   ( (resid  79 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HD2* )) assign ((resid  83 and name HA   ))   ( (resid  83 and name HD2* )) assign ((resid  83 and name HB1  ))   ( (resid  83 and name HD2* )) assign ((resid  83 and name HD2* ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  83 and name HD1* )) assign ((resid  83 and name HA   ))   ( (resid  83 and name HD1* )) assign ((resid  83 and name HB1  ))   ( (resid  83 and name HD1* )) assign ((resid  83 and name HD1* ))   ( (resid  84 and name HN   )) assign ((resid  85 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  85 and name HD2* ))   ( (resid  86 and name HN   )) assign ((resid  86 and name HN   ))   ( (resid  86 and name HG2* )) assign ((resid  86 and name HG2* ))   ( (resid  87 and name HN   )) assign ((resid  86 and name HG1* ))   ( (resid  87 and name HN   )) assign ((resid  87 and name HA   ))   ( (resid  87 and name HD1* )) assign ((resid  87 and name HA   ))   ( (resid  87 and name HD2* )) assign ((resid  87 and name HD2* ))   ( (resid  88 and name HN   )) assign ((resid  91 and name HG1* ))   ( (resid  92 and name HN   )) assign ((resid  91 and name HN   ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HN   )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG2* )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HG2* )) assign ((resid 102 and name HN   ))   ( (resid 102 and name HD1* )) assign ((resid 102 and name HD1* ))   ( (resid 103 and name HN   )) assign ((resid 103 and name HN   ))   ( (resid 103 and name HG2* )) assign ((resid 103 and name HG2* ))   ( (resid 104 and name HN   )) assign ((resid 106 and name HG1* ))   ( (resid 107 and name HN   )) assign ((resid 106 and name HN   ))   ( (resid 106 and name HG2* )) assign ((resid 106 and name HA   ))   ( (resid 106 and name HG2* )) assign ((resid 106 and name HG2* ))   ( (resid 107 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HD2* )) assign ((resid 107 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid 107 and name HB1  ))   ( (resid 107 and name HD2* )) assign ((resid 107 and name HD2* ))   ( (resid 108 and name HN   )) assign ((resid 107 and name HN   ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HA   ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HD1* ))   ( (resid 108 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 110 and name HD2* )) assign ((resid 110 and name HD2* ))   ( (resid 111 and name HN   )) assign ((resid 110 and name HA   ))   ( (resid 110 and name HD1* )) assign ((resid 110 and name HD1* ))   ( (resid 111 and name HN   )) assign ((resid 109 and name HA   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HN   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 113 and name HN   )) assign ((resid 113 and name HN   ))   ( (resid 113 and name HG2* )) assign ((resid 115 and name HA   ))   ( (resid 118 and name HB*  )) assign ((resid   7 and name HD1* ))   ( (resid  10 and name HB   )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HA   )) assign ((resid   7 and name HD1* ))   ( (resid  10 and name HG1  )) assign ((resid   7 and name HD2* ))   ( (resid  11 and name HG2  )) assign ((resid   7 and name HD2* ))   ( (resid  11 and name HG1  )) assign ((resid   7 and name HD1* ))   ( (resid   8 and name HA   )) assign ((resid   6 and name HD1* ))   ( (resid   9 and name HE*  )) assign ((resid   9 and name HE*  ))   ( (resid  57 and name HA1  )) assign ((resid   6 and name HA   ))   ( (resid   9 and name HE*  )) assign ((resid   9 and name HE*  ))   ( (resid  57 and name HA2  )) assign ((resid   9 and name HE*  ))   ( (resid  58 and name HN   )) assign ((resid   9 and name HE*  ))   ( (resid  54 and name HN   )) assign ((resid   9 and name HE*  ))   ( (resid  57 and name HN   )) assign ((resid  10 and name HG2* ))   ( (resid 110 and name HA   )) assign ((resid   7 and name HA   ))   ( (resid  10 and name HG2* )) assign ((resid  10 and name HG2* ))   ( (resid  54 and name HE1  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HN   )) assign ((resid  10 and name HG2* ))   ( (resid  13 and name HN   )) assign ((resid  10 and name HG2* ))   ( (resid 113 and name HB   )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HB1  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HB2  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HG1  )) assign ((resid  10 and name HG2* ))   ( (resid  14 and name HD1* )) assign ((resid   7 and name HD1* ))   ( (resid  11 and name HG2  )) assign ((resid   7 and name HD1* ))   ( (resid  11 and name HG1  )) assign ((resid  12 and name HG2  ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HG1  ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HG1  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HG2  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HB1  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HB2  ))   ( (resid  50 and name HD2* )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HB2  )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HB2  )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HB1  )) assign ((resid  13 and name HE*  ))   ( (resid  51 and name HA   )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HE*  )) assign ((resid  13 and name HE*  ))   ( (resid  82 and name HD*  )) assign ((resid  11 and name HN   ))   ( (resid  14 and name HD1* )) assign ((resid  14 and name HG2* ))   ( (resid 111 and name HN   )) assign ((resid  14 and name HG2* ))   ( (resid  17 and name HN   )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HD1* )) assign ((resid  11 and name HA   ))   ( (resid  14 and name HG2* )) assign ((resid  14 and name HG2* ))   ( (resid 111 and name HA   )) assign ((resid  14 and name HG2* ))   ( (resid  15 and name HA   )) assign ((resid  14 and name HG2* ))   ( (resid 107 and name HD2* )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HG2  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HB1  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG2  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HB2  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG1  )) assign ((resid  10 and name HG2* ))   ( (resid  14 and name HG2* )) assign ((resid  13 and name HE*  ))   ( (resid 110 and name HD2* )) assign ((resid  14 and name HG2* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HA   ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 110 and name HD1* )) assign ((resid  16 and name HG1* ))   ( (resid  82 and name HE*  )) assign ((resid  16 and name HG1* ))   ( (resid  82 and name HZ   )) assign ((resid  16 and name HG1* ))   ( (resid  82 and name HD*  )) assign ((resid  16 and name HG2* ))   ( (resid  47 and name HD21 )) assign ((resid  12 and name HE21 ))   ( (resid  16 and name HG2* )) assign ((resid  16 and name HG2* ))   ( (resid  82 and name HZ   )) assign ((resid  12 and name HE22 ))   ( (resid  16 and name HG2* )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG2* )) assign ((resid  13 and name HA   ))   ( (resid  16 and name HG1* )) assign ((resid  16 and name HG1* ))   ( (resid  17 and name HA   )) assign ((resid  12 and name HA   ))   ( (resid  16 and name HG2* )) assign ((resid  16 and name HG1* ))   ( (resid  86 and name HG2* )) assign ((resid  16 and name HG2* ))   ( (resid  86 and name HG2* )) assign ((resid  17 and name HB*  ))   ( (resid  82 and name HE*  )) assign ((resid  17 and name HB*  ))   ( (resid  82 and name HD*  )) assign ((resid  17 and name HB*  ))   ( (resid  21 and name HB*  )) assign ((resid  17 and name HB*  ))   ( (resid 106 and name HB   )) assign ((resid  17 and name HB*  ))   ( (resid  18 and name HB2  )) assign ((resid  17 and name HB*  ))   ( (resid 107 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid 107 and name HD1* )) assign ((resid  17 and name HB*  ))   ( (resid  85 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid 110 and name HD1* )) assign ((resid  18 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid  18 and name HG1  ))   ( (resid 107 and name HD2* )) assign ((resid  20 and name HA1  ))   ( (resid  85 and name HD2* )) assign ((resid  20 and name HA2  ))   ( (resid  85 and name HD2* )) assign ((resid  21 and name HB*  ))   ( (resid  99 and name HE*  )) assign ((resid  21 and name HB*  ))   ( (resid  99 and name HZ   )) assign ((resid  21 and name HB*  ))   ( (resid  85 and name HD2* )) assign ((resid  21 and name HB*  ))   ( (resid 107 and name HD1* )) assign ((resid  21 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  21 and name HB*  ))   ( (resid  22 and name HA   )) assign ((resid  34 and name HD*  ))   ( (resid  39 and name HG2* )) assign ((resid  39 and name HG2* ))   ( (resid  90 and name HE*  )) assign ((resid  39 and name HG2* ))   ( (resid  90 and name HD*  )) assign ((resid  39 and name HG2* ))   ( (resid  40 and name HA   )) assign ((resid  34 and name HB*  ))   ( (resid  39 and name HG2* )) assign ((resid  40 and name HG2* ))   ( (resid  90 and name HB2  )) assign ((resid  40 and name HD1* ))   ( (resid  90 and name HB2  )) assign ((resid  37 and name HA   ))   ( (resid  40 and name HD1* )) assign ((resid  37 and name HA   ))   ( (resid  40 and name HG2* )) assign ((resid  36 and name HD*  ))   ( (resid  40 and name HD1* )) assign ((resid  36 and name HD*  ))   ( (resid  40 and name HG2* )) assign ((resid  36 and name HE*  ))   ( (resid  40 and name HG2* )) assign ((resid  40 and name HG2* ))   ( (resid  41 and name HN   )) assign ((resid  37 and name HD*  ))   ( (resid  40 and name HG2* )) assign ((resid  40 and name HD1* ))   ( (resid  41 and name HN   )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HD21 )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HN   )) assign ((resid  43 and name HB*  ))   ( (resid  90 and name HE*  )) assign ((resid  43 and name HB*  ))   ( (resid  46 and name HB2  )) assign ((resid  43 and name HB*  ))   ( (resid  46 and name HB1  )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HB*  )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HB2  )) assign ((resid  43 and name HB*  ))   ( (resid  86 and name HG1* )) assign ((resid  43 and name HB*  ))   ( (resid  86 and name HG2* )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HG2* )) assign ((resid  41 and name HA   ))   ( (resid  44 and name HG1* )) assign ((resid  63 and name HE*  ))   ( (resid  64 and name HG1* )) assign ((resid  43 and name HB*  ))   ( (resid  46 and name HG*  )) assign ((resid  49 and name HG1  ))   ( (resid  52 and name HB*  )) assign ((resid  49 and name HG2  ))   ( (resid  52 and name HB*  )) assign ((resid  13 and name HN   ))   ( (resid  50 and name HD1* )) assign ((resid   9 and name HG2  ))   ( (resid  50 and name HD1* )) assign ((resid   9 and name HB*  ))   ( (resid  50 and name HD1* )) assign ((resid   9 and name HG1  ))   ( (resid  50 and name HD1* )) assign ((resid  46 and name HB2  ))   ( (resid  50 and name HD1* )) assign ((resid  46 and name HG*  ))   ( (resid  50 and name HD1* )) assign ((resid  16 and name HG2* ))   ( (resid  50 and name HD2* )) assign ((resid  51 and name HB*  ))   ( (resid  83 and name HD1* )) assign ((resid  51 and name HB*  ))   ( (resid  79 and name HE*  )) assign ((resid  51 and name HB*  ))   ( (resid  79 and name HA   )) assign ((resid  51 and name HB*  ))   ( (resid  82 and name HE*  )) assign ((resid  51 and name HB*  ))   ( (resid  82 and name HD*  )) assign ((resid  51 and name HB*  ))   ( (resid  55 and name HN   )) assign ((resid   9 and name HE*  ))   ( (resid  54 and name HA   )) assign ((resid   6 and name HD1* ))   ( (resid  54 and name HA   )) assign ((resid  55 and name HB*  ))   ( (resid  58 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  75 and name HD1* )) assign ((resid  55 and name HB*  ))   ( (resid  75 and name HG2* )) assign ((resid  54 and name HZ3  ))   ( (resid  55 and name HB*  )) assign ((resid  54 and name HE3  ))   ( (resid  55 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  59 and name HN   )) assign ((resid  55 and name HB*  ))   ( (resid  79 and name HN   )) assign ((resid  56 and name HA   ))   ( (resid  59 and name HD1* )) assign ((resid  56 and name HG2  )) 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60 and name HG*  ))   ( (resid  64 and name HG1* )) assign ((resid  60 and name HG*  ))   ( (resid  61 and name HD1* )) assign ((resid  61 and name HD1* ))   ( (resid 117 and name HA   )) assign ((resid  61 and name HD2* ))   ( (resid 117 and name HA   )) assign ((resid   6 and name HD2* ))   ( (resid  61 and name HD2* )) assign ((resid  59 and name HA   ))   ( (resid  62 and name HD1* )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HA   )) assign ((resid  59 and name HA   ))   ( (resid  62 and name HG2* )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HA   )) assign ((resid  62 and name HD1* ))   ( (resid  75 and name HB   )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HB1  )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HB2  )) assign ((resid  62 and name HD1* ))   ( (resid  72 and name HD*  )) assign ((resid  62 and name HG2* ))   ( (resid  75 and name HB   )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HB1  )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HB2  )) assign ((resid  62 and name HG2* ))   ( (resid  75 and name HD1* )) assign ((resid  62 and name HD1* ))   ( (resid  75 and name HD1* )) assign ((resid  62 and name HD1* ))   ( (resid  70 and name HG2* )) assign ((resid  62 and name HG2* ))   ( (resid  70 and name HG2* )) assign ((resid  61 and name HN   ))   ( (resid  62 and name HG2* )) assign ((resid   6 and name HD2* ))   ( (resid 117 and name HG2* )) assign ((resid   6 and name HD2* ))   ( (resid  61 and name HB1  )) assign ((resid   6 and name HD2* ))   ( (resid  61 and name HB2  )) assign ((resid   6 and name HD2* ))   ( (resid  58 and name HA   )) assign ((resid   6 and name HD2* ))   ( (resid  57 and name HA1  )) assign ((resid   6 and name HD2* ))   ( (resid  10 and name HN   )) assign ((resid   6 and name HD2* ))   ( (resid   7 and name HN   )) assign ((resid  61 and name HA   ))   ( (resid  64 and name HG2* )) assign ((resid  63 and name HN   ))   ( (resid  64 and name HG2* )) assign ((resid  63 and name HN   ))   ( (resid  64 and name HG1* )) assign ((resid  64 and name HG1* ))   ( (resid  65 and name HG*  )) assign ((resid  64 and name HG1* ))   ( (resid  65 and name HD*  )) assign ((resid  61 and name HD1* ))   ( (resid  65 and name HD*  )) assign ((resid  61 and name HD2* ))   ( (resid  65 and name HD*  )) assign ((resid  69 and name HE*  ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG1* ))   ( (resid 113 and name HG2* )) assign ((resid  70 and name HG1* ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG2* ))   ( (resid 113 and name HG2* )) assign ((resid  70 and name HG2* ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG1* ))   ( (resid  74 and name HB2  )) assign ((resid  70 and name HG1* ))   ( (resid 113 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid 109 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid 112 and name HA   )) assign ((resid  70 and name HG2* ))   ( (resid  74 and name HB2  )) assign ((resid  70 and name HG2* ))   ( (resid 113 and name HA   )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HN   )) assign ((resid  70 and name HG2* ))   ( (resid 113 and name HN   )) assign ((resid  54 and name HZ3  ))   ( (resid  75 and name HG2* )) assign ((resid  54 and name HH2  ))   ( (resid  75 and name HG2* )) assign ((resid  74 and name HN   ))   ( (resid  75 and name HD1* )) assign ((resid  54 and name HZ3  ))   ( (resid  75 and name HD1* )) assign ((resid  54 and name HH2  ))   ( (resid  75 and name HD1* )) assign ((resid  59 and name HA   ))   ( (resid  75 and name HG2* )) assign ((resid  72 and name HA   ))   ( (resid  75 and name HG2* )) assign ((resid  59 and name HA   ))   ( (resid  75 and name HD1* )) assign ((resid  72 and name HA   ))   ( (resid  75 and name HD1* )) assign ((resid  55 and name HA   ))   ( (resid  75 and name HG2* )) assign ((resid  70 and name HB   ))   ( (resid  75 and name HD1* )) assign ((resid  59 and name HG   ))   ( (resid  75 and name HG2* )) assign ((resid  75 and name HA   ))   ( (resid 109 and name HG2* )) assign ((resid  59 and name HD1* ))   ( (resid  75 and name HB   )) assign ((resid  75 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid  75 and name HD1* ))   ( (resid 109 and name HG2* )) assign ((resid  70 and name HG2* ))   ( (resid  75 and name HD1* )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HD1* )) assign ((resid  58 and name HB*  ))   ( (resid  75 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid  75 and name HD1* )) assign ((resid  75 and name HG2* ))   ( (resid  76 and name HA   )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HA   )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HG2  )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HG1  )) assign ((resid  77 and name HB*  ))   ( (resid  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HA   ))   ( (resid  78 and name HG2* )) assign ((resid  78 and name HG2* ))   ( (resid 109 and name HB   )) assign ((resid  54 and name HE3  ))   ( (resid  78 and name HG1* )) assign ((resid  54 and name HZ3  ))   ( (resid  78 and name HG1* )) assign ((resid  78 and name HG1* ))   ( (resid  81 and name HD22 )) assign ((resid  54 and name HH2  ))   ( (resid  78 and name HG1* )) assign ((resid  54 and name HZ3  ))   ( (resid  78 and name HG2* )) assign ((resid  54 and name HH2  ))   ( (resid  78 and name HG2* )) assign ((resid  78 and name HG1* ))   ( (resid  82 and name HN   )) assign ((resid  78 and name HG1* ))   ( (resid  79 and name HA   )) assign ((resid  78 and name HG1* ))   ( (resid  82 and name HD*  )) assign ((resid  48 and name HN   ))   ( (resid  83 and name HD1* )) assign ((resid  48 and name HN   ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HN   ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HE*  ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HD*  ))   ( (resid  83 and name HD2* )) assign ((resid  82 and name HE*  ))   ( (resid  83 and name HD1* )) assign ((resid  82 and name HD*  ))   ( (resid  83 and name HD1* )) assign ((resid  48 and name HA   ))   ( (resid  83 and name HD2* )) assign ((resid  48 and name HA   ))   ( (resid  83 and name HD1* )) assign ((resid  79 and name HE*  ))   ( (resid  83 and name HD1* )) assign ((resid  44 and name HA   ))   ( (resid  83 and name HD1* )) assign ((resid  51 and name HB*  ))   ( (resid  83 and name HD2* )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HG2* )) assign ((resid  21 and name HN   ))   ( (resid  85 and name HD1* )) assign ((resid  21 and name HN   ))   ( (resid  85 and name HD2* )) assign ((resid  20 and name HN   ))   ( (resid  85 and name HD2* )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HN   )) assign ((resid  85 and name HD2* ))   ( (resid  99 and name HE*  )) assign ((resid  85 and name HD2* ))   ( (resid  99 and name HZ   )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HA   )) assign ((resid  85 and name HD2* ))   ( (resid 103 and name HA   )) assign ((resid  17 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HD1* )) assign ((resid  85 and name HD1* ))   ( (resid 106 and name HB   )) assign ((resid  85 and name HD2* ))   ( (resid  86 and name HA   )) assign ((resid  85 and name HD2* ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HD2* ))   ( (resid  86 and name HG2* )) assign ((resid  47 and name HN   ))   ( (resid  86 and name HG1* )) assign ((resid  47 and name HD21 ))   ( (resid  86 and name HG1* )) assign ((resid  47 and name HD22 ))   ( (resid  86 and name HG1* )) assign ((resid  86 and name HG1* ))   ( (resid  90 and name HD*  )) assign ((resid  86 and name HG1* ))   ( (resid  90 and name HE*  )) assign ((resid  82 and name HZ   ))   ( (resid  86 and name HG2* )) assign ((resid  83 and name HA   ))   ( (resid  86 and name HG1* )) assign ((resid  86 and name HG1* ))   ( (resid  89 and name HB*  )) assign ((resid  44 and name HA   ))   ( (resid  86 and name HG1* )) assign ((resid  83 and name HA   ))   ( (resid  86 and name HG2* )) assign ((resid  47 and name HB2  ))   ( (resid  86 and name HG2* )) assign ((resid  47 and name HB2  ))   ( (resid  86 and name HG1* )) assign ((resid  44 and name HB   ))   ( (resid  86 and name HG1* )) assign ((resid  16 and name HB   ))   ( (resid  86 and name HG2* )) assign ((resid  84 and name HN   ))   ( (resid  87 and name HD2* )) assign ((resid  84 and name HA   ))   ( (resid  87 and name HD2* )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HN   )) assign ((resid  91 and name HG1* ))   ( (resid  93 and name HN   )) assign ((resid  90 and name HN   ))   ( (resid  91 and name HG1* )) assign ((resid  91 and name HG1* ))   ( (resid  92 and name HD2  )) assign ((resid  36 and name HE*  ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HD2  )) assign ((resid  88 and name HA   ))   ( (resid  91 and name HG2* )) assign ((resid  87 and name HG   ))   ( (resid  91 and name HG2* )) assign ((resid  87 and name HB2  ))   ( (resid  91 and name HG2* )) assign ((resid  91 and name HG1* ))   ( (resid  93 and name HB*  )) assign ((resid  90 and name HB2  ))   ( (resid  91 and name HG1* )) assign ((resid  91 and name HG2* ))   ( (resid  92 and name HA   )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HB*  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HN   )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HE*  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HD*  )) assign ((resid  94 and name HG2* ))   ( (resid  95 and name HN   )) assign ((resid  93 and name HD2  ))   ( (resid  94 and name HG2* )) assign ((resid  94 and name HG2* ))   ( (resid  99 and name HD*  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HA   )) assign ((resid  88 and name HB2  ))   ( (resid  94 and name HD1* )) assign ((resid  88 and name HB1  ))   ( (resid  94 and name HD1* )) assign ((resid  88 and name HB1  ))   ( (resid  94 and name HG2* )) assign ((resid  88 and name HG*  ))   ( (resid  94 and name HG2* )) assign ((resid  88 and name HB2  ))   ( (resid  94 and name HG2* )) assign ((resid  93 and name HB*  ))   ( (resid  94 and name HG2* )) assign ((resid  94 and name HD1* ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HN   ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HN   ))   ( (resid 102 and name HG2* )) assign ((resid  85 and name HA   ))   ( (resid 102 and name HG2* )) assign ((resid 102 and name HG2* ))   ( (resid 105 and name HB*  )) assign ((resid  99 and name HA   ))   ( (resid 102 and name HG2* )) assign ((resid  85 and name HA   ))   ( (resid 102 and name HD1* )) assign ((resid  99 and name HA   ))   ( (resid 102 and name HD1* )) assign ((resid 102 and name HG2* ))   ( (resid 103 and name HB   )) assign ((resid  81 and name HA   ))   ( (resid 102 and name HG2* )) assign ((resid  84 and name HG*  ))   ( (resid 102 and name HD1* )) assign ((resid  84 and name HB*  ))   ( (resid 102 and name HD1* )) assign ((resid  99 and name HB2  ))   ( (resid 102 and name HD1* )) assign ((resid  94 and name HB   ))   ( (resid 102 and name HD1* )) assign ((resid  85 and name HB1  ))   ( (resid 102 and name HG2* )) assign ((resid  84 and name HB*  ))   ( (resid 102 and name HG2* )) assign ((resid  81 and name HB1  ))   ( (resid 102 and name HG2* )) assign ((resid  81 and name HB2  ))   ( (resid 102 and name HG2* )) assign ((resid  94 and name HD1* ))   ( (resid 102 and name HB   )) assign ((resid  21 and name HB*  ))   ( (resid 103 and name HG2* )) assign ((resid  21 and name HN   ))   ( (resid 103 and name HG2* )) assign ((resid 106 and name HG2* ))   ( (resid 110 and name HN   )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HN   )) assign ((resid 105 and name HN   ))   ( (resid 106 and name HG2* )) assign ((resid  81 and name HN   ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HD*  ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HA   ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HA   ))   ( (resid 106 and name HG1* )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HG2* )) assign ((resid 103 and name HA   ))   ( (resid 106 and name HG1* )) assign ((resid  81 and name HB1  ))   ( (resid 106 and name HG2* )) assign ((resid  81 and name HB2  ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HB2  ))   ( (resid 106 and name HG2* )) assign ((resid  82 and name HB2  ))   ( (resid 106 and name HG1* )) assign ((resid  78 and name HG2* ))   ( (resid 106 and name HA   )) assign ((resid  85 and name HB2  ))   ( (resid 106 and name HG2* )) assign ((resid  85 and name HD1* ))   ( (resid 106 and name HG2* )) assign ((resid  78 and name HG1* ))   ( (resid 106 and name HG2* )) assign ((resid  85 and name HD1* ))   ( (resid 106 and name HG1* )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HD1* )) assign ((resid 104 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid 104 and name HA   ))   ( (resid 107 and name HD1* )) assign ((resid  14 and name HA   ))   ( (resid 107 and name HD2* )) assign ((resid  18 and name HG2  ))   ( (resid 107 and name HD2* )) assign ((resid  18 and name HG2  ))   ( (resid 107 and name HD1* )) assign ((resid  18 and name HG1  ))   ( (resid 107 and name HD1* )) assign ((resid  14 and name HA   ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HD1* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 107 and name HD1* )) assign ((resid 107 and name HD2* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 107 and name HD2* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HN   )) assign ((resid  14 and name HN   ))   ( (resid 110 and name HD2* )) assign ((resid  54 and name HZ2  ))   ( (resid 110 and name HD2* )) assign ((resid  54 and name HH2  ))   ( (resid 110 and name HD2* )) assign ((resid  10 and name HA   ))   ( (resid 110 and name HD2* )) assign ((resid  13 and name HA   ))   ( (resid 110 and name HD1* )) assign ((resid  10 and name HG2* ))   ( (resid 110 and name HD1* )) assign ((resid  78 and name HG2* ))   ( (resid 110 and name HD2* )) assign ((resid  10 and name HG2* ))   ( (resid 110 and name HD2* )) assign ((resid  78 and name HG1* ))   ( (resid 110 and name HD1* )) assign ((resid  14 and name HD1* ))   ( (resid 111 and name HA   )) assign ((resid  70 and name HN   ))   ( (resid 112 and name HB*  )) assign ((resid  69 and name HB1  ))   ( (resid 112 and name HB*  )) assign ((resid  69 and name HB2  ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 113 and name HB   )) assign ((resid  70 and name HB   ))   ( (resid 112 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 113 and name HG2* )) assign ((resid  54 and name HE1  ))   ( (resid 113 and name HG1* )) assign ((resid  54 and name HZ2  ))   ( (resid 113 and name HG1* )) assign ((resid  54 and name HH2  ))   ( (resid 113 and name HG1* )) assign ((resid  54 and name HZ2  ))   ( (resid 113 and name HG2* )) assign ((resid  54 and name HH2  ))   ( (resid 113 and name HG2* )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HG2* )) assign ((resid 110 and name HA   ))   ( (resid 113 and name HG1* )) assign ((resid 113 and name HG1* ))   ( (resid 114 and name HA   )) assign ((resid  75 and name HA   ))   ( (resid 113 and name HG2* )) assign ((resid  10 and name HG1  ))   ( (resid 113 and name HG1* )) assign ((resid  70 and name HB   ))   ( (resid 113 and name HG2* )) assign ((resid 113 and name HG1* ))   ( (resid 114 and name HB1  )) assign ((resid  75 and name HD1* ))   ( (resid 113 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid 113 and name HG2* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HG2* )) assign ((resid 113 and name HG1* ))   ( (resid 117 and name HD1* )) assign ((resid   6 and name HD2* ))   ( (resid 113 and name HG1* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HG1* )) assign ((resid 110 and name HD2* ))   ( (resid 113 and name HB   )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HA   )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HE*  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HE*  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HG1  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HG1  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HD*  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HG2  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HG2  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HB2  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HD*  )) assign ((resid  10 and name HN   ))   ( (resid 117 and name HG2* )) assign ((resid  10 and name HN   ))   ( (resid 117 and name HD1* )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HG2* )) assign ((resid   7 and name HA   ))   ( (resid 117 and name HG2* )) assign ((resid 114 and name HA   ))   ( (resid 117 and name HD1* )) assign ((resid   7 and name HA   ))   ( (resid 117 and name HD1* )) assign ((resid  10 and name HB   ))   ( (resid 117 and name HD1* )) assign ((resid  10 and name HG1  ))   ( (resid 117 and name HD1* )) assign ((resid 117 and name HG2* ))   ( (resid 118 and name HB*  )) assign ((resid 114 and name HB2  ))   ( (resid 117 and name HD1* )) assign ((resid   6 and name HG   ))   ( (resid 117 and name HD1* )) assign ((resid   6 and name HG   ))   ( (resid 117 and name HG2* )) assign ((resid 117 and name HG2* ))   ( (resid 118 and name HA   )) assign ((resid   7 and name HD1* ))   ( (resid 118 and name HB*  )) assign ((resid  62 and name HD1* ))   ( (resid  71 and name HA   )) assign ((resid  16 and name HG2* ))   ( (resid  47 and name HD22 )) assign ((resid   6 and name HD1* ))   ( (resid  58 and name HB*  )) assign ((resid   6 and name HD1* ))   ( (resid  57 and name HA2  )) assign ((resid   6 and name HD1* ))   ( (resid  58 and name HA   )) assign ((resid   6 and name HD1* ))   ( (resid  57 and name HA1  )) assign ((resid   6 and name HA   ))   ( (resid   6 and name HD1* )) assign ((resid   6 and name HD1* ))   ( (resid  10 and name HG1  )) assign ((resid   6 and name HD1* ))   ( (resid  10 and name HN   )) assign ((resid   6 and name HD1* ))   ( (resid   7 and name HN   )) assign ((resid  13 and name HE*  ))   ( (resid  51 and name HN   )) assign ((resid  16 and name HG2* ))   ( (resid  82 and name HE*  )) assign ((resid  21 and name HB*  ))   ( (resid  22 and name HB*  )) assign ((resid  40 and name HD1* ))   ( (resid  90 and name HN   )) assign ((resid  40 and name HG2* ))   ( (resid  87 and name HD1* )) assign ((resid  40 and name HD1* ))   ( (resid  87 and name HD1* )) assign ((resid  40 and name HG2* ))   ( (resid  44 and name HG2* )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid 107 and name HG   )) assign ((resid  17 and name HB*  ))   ( (resid 106 and name HG1* )) assign ((resid  40 and name HG2* ))   ( (resid  44 and name HG1* )) assign ((resid  54 and name HZ2  ))   ( (resid 109 and name HG2* )) assign ((resid  10 and name HG2* ))   ( (resid  54 and name HH2  )) assign ((resid  10 and name HG2* ))   ( (resid  54 and name HZ2  )) assign ((resid  54 and name HH2  ))   ( (resid 109 and name HG2* )) assign ((resid  58 and name HB*  ))   ( (resid  70 and name HG1* )) assign ((resid  62 and name HG2* ))   ( (resid  71 and name HA   )) assign ((resid  59 and name HB2  ))   ( (resid  62 and name HD1* )) assign ((resid  62 and name HG2* ))   ( (resid 113 and name HG1* )) assign ((resid   6 and name HD2* ))   ( (resid  58 and name HN   )) assign ((resid   6 and name HD1* ))   ( (resid  58 and name HN   )) assign ((resid 108 and name HD*  ))   ( (resid 112 and name HB*  )) assign ((resid  70 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid  70 and name HG1* ))   ( (resid 109 and name HG2* )) assign ((resid  75 and name HG2* ))   ( (resid 113 and name HG2* )) assign ((resid  55 and name HN   ))   ( (resid  75 and name HG2* )) assign ((resid  40 and name HD1* ))   ( (resid  87 and name HA   )) assign ((resid  77 and name HB*  ))   ( (resid  80 and name HN   )) assign ((resid  82 and name HA   ))   ( (resid  85 and name HD2* )) assign ((resid  85 and name HD2* ))   ( (resid 103 and name HB   )) assign ((resid  17 and name HA   ))   ( (resid  85 and name HD1* )) assign ((resid  85 and name HD1* ))   ( (resid 103 and name HB   )) assign ((resid  93 and name HB*  ))   ( (resid  94 and name HD1* )) assign ((resid  94 and name HG2* ))   ( (resid  99 and name HB2  )) assign ((resid  94 and name HD1* ))   ( (resid  99 and name HB2  )) assign ((resid  85 and name HD2* ))   ( (resid 102 and name HG2* )) assign ((resid 102 and name HG2* ))   ( (resid 106 and name HG2* )) assign ((resid 102 and name HG2* ))   ( (resid 106 and name HG1* )) assign ((resid  75 and name HD1* ))   ( (resid 113 and name HG1* )) assign ((resid   6 and name HD2* ))   ( (resid 113 and name HG2* )) assign ((resid  78 and name HG2* ))   ( (resid 109 and name HG2* )) assign ((resid  56 and name HA   ))   ( (resid  59 and name HD2* )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HB1  )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HG   )) assign ((resid  13 and name HE*  ))   ( (resid  51 and name HB*  )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HD2* )) assign ((resid  54 and name HZ2  ))   ( (resid  75 and name HD1* )) assign ((resid   7 and name HG   ))   ( (resid 117 and name HD1* )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HG   )) assign ((resid 106 and name HG1* ))   ( (resid 110 and name HD2* )) assign ((resid   6 and name HD2* ))   ( (resid  58 and name HB*  )) assign ((resid   6 and name HD2* ))   ( (resid   9 and name HE*  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HD*  )) assign ((resid   7 and name HD2* ))   ( (resid 114 and name HD*  )) assign ((resid  46 and name HG*  ))   ( (resid  50 and name HD2* )) assign ((resid  82 and name HD*  ))   ( (resid 106 and name HG1* )) assign ((resid  13 and name HA   ))   ( (resid  50 and name HD1* )) assign ((resid  13 and name HA   ))   ( (resid  50 and name HD2* )) assign ((resid  59 and name HN   ))   ( (resid  75 and name HG2* )) assign ((resid  59 and name HN   ))   ( (resid  75 and name HD1* )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HB1  )) assign ((resid  36 and name HA   ))   ( (resid  40 and name HG2* )) assign ((resid  36 and name HA   ))   ( (resid  40 and name HD1* )) assign ((resid  40 and name HG2* ))   ( (resid  41 and name HA   )) assign ((resid  34 and name HA   ))   ( (resid  40 and name HD1* )) assign ((resid  40 and name HG2* ))   ( (resid  90 and name HD*  )) assign ((resid  40 and name HD1* ))   ( (resid  91 and name HG1* )) assign ((resid  40 and name HD1* ))   ( (resid  90 and name HD*  )) assign ((resid  21 and name HB*  ))   ( (resid  24 and name HD*  )) assign ((resid  36 and name HD*  ))   ( (resid  91 and name HG1* )) assign ((resid  36 and name HE*  ))   ( (resid  91 and name HG1* )) assign ((resid  36 and name HE*  ))   ( (resid  40 and name HD1* )) assign ((resid  36 and name HZ   ))   ( (resid  91 and name HG1* )) assign ((resid   9 and name HE*  ))   ( (resid  54 and name HD1  )) assign ((resid  54 and name HD1  ))   ( (resid 113 and name HG1* )) assign ((resid   6 and name HD1* ))   ( (resid  54 and name HD1  )) assign ((resid  54 and name HZ2  ))   ( (resid  75 and name HG2* )) assign ((resid  54 and name HZ2  ))   ( (resid  78 and name HG1* )) assign ((resid  54 and name HH2  ))   ( (resid  58 and name HB*  )) assign ((resid  54 and name HZ2  ))   ( (resid  58 and name HB*  )) assign ((resid  54 and name HE3  ))   ( (resid  75 and name HG2* )) assign ((resid  13 and name HE*  ))   ( (resid  54 and name HE3  )) assign ((resid  69 and name HD*  ))   ( (resid 112 and name HB*  )) assign ((resid  69 and name HD*  ))   ( (resid  70 and name HG2* )) assign ((resid  82 and name HD*  ))   ( (resid  85 and name HD2* )) assign ((resid  34 and name HD*  ))   ( (resid  40 and name HD1* )) assign ((resid  34 and name HE*  ))   ( (resid  39 and name HG2* )) assign ((resid  87 and name HD2* ))   ( (resid  93 and name HD2  )) assign ((resid  93 and name HD2  ))   ( (resid  94 and name HD1* )) assign ((resid 108 and name HE*  ))   ( (resid 112 and name HB*  )) assign ((resid 107 and name HD2* ))   ( (resid 111 and name HD2  )) assign ((resid 107 and name HD1* ))   ( (resid 111 and name HD2  )) assign ((resid  14 and name HD1* ))   ( (resid 111 and name HD2  )) assign ((resid  82 and name HE*  ))   ( (resid 106 and name HG1* )) assign ((resid  82 and name HE*  ))   ( (resid  85 and name HD2* )) assign ((resid  91 and name HG2* ))   ( (resid  93 and name HD2  )) assign ((resid  85 and name HD1* ))   ( (resid  99 and name HZ   )) assign ((resid  85 and name HD1* ))   ( (resid  99 and name HE*  )) assign ((resid   6 and name HB*  ))   ( (resid 117 and name HB   )) assign ((resid   6 and name HB*  ))   ( (resid 117 and name HG1* )) assign ((resid   6 and name HD2* ))   ( (resid 117 and name HG1* )) assign ((resid   7 and name HB*  ))   ( (resid 117 and name HG2* )) assign ((resid   7 and name HB*  ))   ( (resid 117 and name HD1* )) assign ((resid   7 and name HD1* ))   ( (resid  11 and name HG*  )) assign ((resid   7 and name HD1* ))   ( (resid 114 and name HG*  )) assign ((resid   7 and name HD2* ))   ( (resid  11 and name HG*  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HB*  )) assign ((resid   8 and name HN   ))   ( (resid   8 and name HG*  )) assign ((resid   8 and name HG*  ))   ( (resid   9 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid   9 and name HG*  )) assign ((resid   9 and name HA   ))   ( (resid  12 and name HB*  )) assign ((resid   9 and name HG*  ))   ( (resid  10 and name HN   )) assign ((resid   9 and name HG*  ))   ( (resid  50 and name HD1* )) assign ((resid  10 and name HA   ))   ( (resid  13 and name HB*  )) assign ((resid  10 and name HG2* ))   ( (resid  13 and name HB*  )) assign ((resid  10 and name HG2* ))   ( (resid 114 and name HG*  )) assign ((resid  11 and name HN   ))   ( (resid  11 and name HB*  )) assign ((resid  11 and name HB*  ))   ( (resid  12 and name HN   )) assign ((resid  11 and name HB*  ))   ( (resid  14 and name HD1* )) assign ((resid  11 and name HG*  ))   ( (resid  12 and name HN   )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HB*  )) assign ((resid  12 and name HN   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HA   ))   ( (resid  12 and name HG*  )) assign ((resid  12 and name HA   ))   ( (resid  15 and name HB*  )) assign ((resid  12 and name HB*  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HB*  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HG*  ))   ( (resid  13 and name HN   )) assign ((resid  12 and name HG*  ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HG*  ))   ( (resid  50 and name HD2* )) assign ((resid  12 and name HE2* ))   ( (resid  15 and name HG*  )) assign ((resid  12 and name HE2* ))   ( (resid  16 and name HA   )) assign ((resid  12 and name HE2* ))   ( (resid  16 and name HG1* )) assign ((resid  12 and name HE2* ))   ( (resid  16 and name HG2* )) assign ((resid  12 and name HE2* ))   ( (resid  50 and name HD2* )) assign ((resid  13 and name HN   ))   ( (resid  13 and name HB*  )) assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HE*  ))   ( (resid  50 and name HB*  )) assign ((resid  14 and name HG2* ))   ( (resid  18 and name HG*  )) assign ((resid  14 and name HD1* ))   ( (resid 110 and name HB*  )) assign ((resid  14 and name HD1* ))   ( (resid 114 and name HG*  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HB*  )) assign ((resid  15 and name HN   ))   ( (resid  15 and name HG*  )) assign ((resid  15 and name HB*  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB*  ))   ( (resid  16 and name HG1* )) assign ((resid  15 and name HB*  ))   ( (resid  16 and name HG2* )) assign ((resid  15 and name HB*  ))   ( (resid  17 and name HN   )) assign ((resid  15 and name HG*  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HG*  ))   ( (resid  19 and name HG*  )) assign ((resid  15 and name HG*  ))   ( (resid  19 and name HD*  )) assign ((resid  15 and name HG*  ))   ( (resid  19 and name HE*  )) assign ((resid  16 and name HG1* ))   ( (resid  47 and name HD2* )) assign ((resid  16 and name HG2* ))   ( (resid  47 and name HD2* )) assign ((resid  17 and name HB*  ))   ( (resid  18 and name HG*  )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HG*  )) assign ((resid  18 and name HA   ))   ( (resid  18 and name HG*  )) assign ((resid  18 and name HG*  ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HG*  ))   ( (resid 107 and name HD1* )) assign ((resid  18 and name HG*  ))   ( (resid 107 and name HD2* )) assign ((resid  19 and name HA   ))   ( (resid  19 and name HG*  )) assign ((resid  21 and name HA   ))   ( (resid  24 and name HB*  )) assign ((resid  22 and name HA   ))   ( (resid  25 and name HB*  )) assign ((resid  22 and name HB*  ))   ( (resid  25 and name HB*  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HB*  )) assign ((resid  24 and name HB*  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB*  ))   ( (resid  99 and name HE*  )) assign ((resid  26 and name HA   ))   ( (resid  26 and name HG*  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG*  )) assign ((resid  38 and name HA   ))   ( (resid  38 and name HG*  )) assign ((resid  40 and name HN   ))   ( (resid  40 and name HG1* )) assign ((resid  40 and name HG1* ))   ( (resid  41 and name HN   )) assign ((resid  41 and name HN   ))   ( (resid  42 and name HD*  )) assign ((resid  43 and name HB*  ))   ( (resid  47 and name HD2* )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HG*  )) assign ((resid  45 and name HA   ))   ( (resid  45 and name HG*  )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HB*  )) assign ((resid  46 and name HA   ))   ( (resid  49 and name HG*  )) assign ((resid  46 and name HG*  ))   ( (resid  47 and name HD2* )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HD2* )) assign ((resid  47 and name HA   ))   ( (resid  50 and name HB*  )) assign ((resid  47 and name HD2* ))   ( (resid  86 and name HG1* )) assign ((resid  47 and name HD2* ))   ( (resid  86 and name HG2* )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HG*  )) assign ((resid  48 and name HB*  ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB*  ))   ( (resid  83 and name HD1* )) assign ((resid  49 and name HA   ))   ( (resid  49 and name HG*  )) assign ((resid  49 and name HG*  ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HG*  ))   ( (resid  52 and name HB*  )) assign ((resid  50 and name HN   ))   ( (resid  50 and name HB*  )) assign ((resid  50 and name HA   ))   ( (resid  53 and name HB*  )) assign ((resid  51 and name HA   ))   ( (resid  54 and name HB*  )) assign ((resid  51 and name HB*  ))   ( (resid  54 and name HB*  )) assign ((resid  52 and name HN   ))   ( (resid  54 and name HB*  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HB*  )) assign ((resid  53 and name HN   ))   ( (resid  53 and name HG*  )) assign ((resid  53 and name HA   ))   ( (resid  56 and name HB*  )) assign ((resid  53 and name HB*  ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HG*  ))   ( (resid  54 and name HN   )) assign ((resid  54 and name HB*  ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HH2  ))   ( (resid  75 and name HG1* )) assign ((resid  55 and name HN   ))   ( (resid  56 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HB*  )) assign ((resid  55 and name HB*  ))   ( (resid  56 and name HG*  )) assign ((resid  55 and name HB*  ))   ( (resid  79 and name HB*  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HB*  )) assign ((resid  56 and name HN   ))   ( (resid  56 and name HG*  )) assign ((resid  56 and name HB*  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HB*  ))   ( (resid  59 and name HD1* )) assign ((resid  56 and name HG*  ))   ( (resid  59 and name HD1* )) assign ((resid  57 and name HA2  ))   ( (resid  60 and name HB*  )) assign ((resid  57 and name HA1  ))   ( (resid  60 and name HB*  )) assign ((resid  58 and name HN   ))   ( (resid  75 and name HG1* )) assign ((resid  58 and name HA   ))   ( (resid  61 and name HB*  )) assign ((resid  58 and name HA   ))   ( (resid 117 and name HG1* )) assign ((resid  58 and name HB*  ))   ( (resid  75 and name HG1* )) assign ((resid  58 and name HB*  ))   ( (resid 117 and name HG1* )) assign ((resid  59 and name HN   ))   ( (resid  60 and name HB*  )) assign ((resid  59 and name HD1* ))   ( (resid  72 and name HB*  )) assign ((resid  59 and name HD1* ))   ( (resid  76 and name HG*  )) assign ((resid  59 and name HD2* ))   ( (resid  76 and name HG*  )) assign ((resid  60 and name HN   ))   ( (resid  60 and name HB*  )) assign ((resid  60 and name HA   ))   ( (resid  63 and name HG*  )) assign ((resid  60 and name HB*  ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HG*  ))   ( (resid  63 and name HD*  )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HB*  )) assign ((resid  61 and name HB*  ))   ( (resid  62 and name HN   )) assign ((resid  62 and name HG2* ))   ( (resid  67 and name HD*  )) assign ((resid  62 and name HG2* ))   ( (resid  72 and name HB*  )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HD*  )) assign ((resid  63 and name HA   ))   ( (resid  63 and name HD*  )) assign ((resid  63 and name HG*  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD*  ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HD*  ))   ( (resid  64 and name HB   )) assign ((resid  63 and name HD*  ))   ( (resid  64 and name HG1* )) assign ((resid  68 and name HA   ))   ( (resid  68 and name HG*  )) assign ((resid  68 and name HA   ))   ( (resid  68 and name HD*  )) assign ((resid  68 and name HB*  ))   ( (resid  68 and name HD*  )) assign ((resid  68 and name HB*  ))   ( (resid  68 and name HE*  )) assign ((resid  68 and name HB*  ))   ( (resid  70 and name HN   )) assign ((resid  68 and name HG*  ))   ( (resid  70 and name HN   )) assign ((resid  68 and name HD*  ))   ( (resid 116 and name HA   )) assign ((resid  69 and name HD*  ))   ( (resid 116 and name HB*  )) assign ((resid  69 and name HE*  ))   ( (resid 115 and name HB*  )) assign ((resid  69 and name HE*  ))   ( (resid 116 and name HB*  )) assign ((resid  69 and name HE*  ))   ( (resid 119 and name HG*  )) assign ((resid  70 and name HG1* ))   ( (resid  75 and name HG1* )) assign ((resid  70 and name HG1* ))   ( (resid 116 and name HB*  )) assign ((resid  71 and name HN   ))   ( (resid  74 and name HG*  )) assign ((resid  71 and name HD2  ))   ( (resid  73 and name HB*  )) assign ((resid  71 and name HD2  ))   ( (resid  74 and name HG*  )) assign ((resid  72 and name HB*  ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HG*  ))   ( (resid  76 and name HG*  )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HB*  )) assign ((resid  73 and name HN   ))   ( (resid  73 and name HG*  )) assign ((resid  73 and name HA   ))   ( (resid  73 and name HG*  )) assign ((resid  73 and name HA   ))   ( (resid  76 and name HG*  )) assign ((resid  73 and name HB*  ))   ( (resid  74 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG*  )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HE2* )) assign ((resid  74 and name HA   ))   ( (resid  74 and name HG*  )) assign ((resid  74 and name HG*  ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HG*  ))   ( (resid  77 and name HB*  )) assign ((resid  74 and name HE2* ))   ( (resid  78 and name HG2* )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG1* )) assign ((resid  75 and name HG2* ))   ( (resid  76 and name HG*  )) assign ((resid  75 and name HG1* ))   ( (resid  76 and name HN   )) assign ((resid  75 and name HG1* ))   ( (resid 113 and name HG1* )) assign ((resid  75 and name HG1* ))   ( (resid 113 and name HG2* )) assign ((resid  76 and name HN   ))   ( (resid  76 and name HG*  )) assign ((resid  76 and name HA   ))   ( (resid  76 and name HG*  )) assign ((resid  76 and name HG*  ))   ( (resid  77 and name HN   )) assign ((resid  77 and name HB*  ))   ( (resid  81 and name HD2* )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HB*  )) assign ((resid  78 and name HG1* ))   ( (resid  79 and name HB*  )) assign ((resid  78 and name HG1* ))   ( (resid  81 and name HD2* )) assign ((resid  78 and name HG2* ))   ( (resid  81 and name HD2* )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG*  )) assign ((resid  79 and name HB*  ))   ( (resid  79 and name HE*  )) assign ((resid  79 and name HB*  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HG*  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HG*  ))   ( (resid  83 and name HD1* )) assign ((resid  80 and name HB*  ))   ( (resid  81 and name HN   )) assign ((resid  81 and name HN   ))   ( (resid  81 and name HB*  )) assign ((resid  81 and name HB*  ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HB*  ))   ( (resid 102 and name HG2* )) assign ((resid  81 and name HB*  ))   ( (resid 106 and name HG1* )) assign ((resid  81 and name HB*  ))   ( (resid 106 and name HG2* )) assign ((resid  81 and name HD2* ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HD2* ))   ( (resid 106 and name HG2* )) assign ((resid  94 and name HN   ))   ( (resid  94 and name HG1* )) assign ((resid  94 and name HD1* ))   ( (resid 102 and name HG1* )) assign ((resid 100 and name HN   ))   ( (resid 100 and name HG*  )) assign ((resid 100 and name HA   ))   ( (resid 100 and name HD*  )) assign ((resid 100 and name HG*  ))   ( (resid 101 and name HN   )) assign ((resid 101 and name HA   ))   ( (resid 104 and name HG*  )) assign ((resid 102 and name HG1* ))   ( (resid 103 and name HN   )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HB*  )) assign ((resid 104 and name HN   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HA   ))   ( (resid 104 and name HG*  )) assign ((resid 104 and name HB*  ))   ( (resid 105 and name HN   )) assign ((resid 104 and name HG*  ))   ( (resid 105 and name HN   )) assign ((resid 107 and name HA   ))   ( (resid 110 and name HB*  )) assign ((resid 108 and name HA   ))   ( (resid 111 and name HB*  )) assign ((resid 110 and name HN   ))   ( (resid 110 and name HB*  )) assign ((resid 110 and name HB*  ))   ( (resid 111 and name HN   )) assign ((resid 111 and name HN   ))   ( (resid 111 and name HB*  )) assign ((resid 111 and name HA   ))   ( (resid 114 and name HG*  )) assign ((resid 111 and name HB*  ))   ( (resid 112 and name HN   )) assign ((resid 112 and name HA   ))   ( (resid 115 and name HB*  )) assign ((resid 112 and name HB*  ))   ( (resid 115 and name HB*  )) assign ((resid 113 and name HA   ))   ( (resid 116 and name HB*  )) assign ((resid 113 and name HG1* ))   ( (resid 117 and name HG1* )) assign ((resid 114 and name HN   ))   ( (resid 114 and name HG*  )) assign ((resid 114 and name HG*  ))   ( (resid 117 and name HD1* )) assign ((resid 115 and name HN   ))   ( (resid 115 and name HB*  )) assign ((resid 116 and name HN   ))   ( (resid 116 and name HG*  )) assign ((resid 116 and name HA   ))   ( (resid 116 and name HG*  )) assign ((resid 116 and name HG*  ))   ( (resid 117 and name HN   )) assign ((resid 117 and name HN   ))   ( (resid 117 and name HG1* )) assign ((resid 117 and name HA   ))   ( (resid 120 and name HB*  )) assign ((resid 117 and name HG2* ))   ( (resid 120 and name HB*  )) assign ((resid 117 and name HG1* ))   ( (resid 118 and name HN   )) assign ((resid 119 and name HN   ))   ( (resid 119 and name HG*  )) assign ((resid 120 and name HA   ))   ( (resid 120 and name HG*  ))

3.48 1.69 1.69 2.84 1.04 1.04 2.84 1.04 1.04 2.64 0.84 0.84 2.64 0.84 0.84 2.55 0.75 0.75 3.32 1.53 1.53 3.21 1.42 1.42 2.89 1.09 1.09 2.89 1.09 1.09 3.20 1.40 1.40 3.23 1.44 1.44 2.69 0.90 0.90 2.82 1.02 1.02 2.71 0.91 0.91 3.09 1.29 1.29 2.58 0.79 0.79 2.73 0.93 0.93 2.73 0.93 0.93 2.53 0.73 0.73 3.05 1.26 1.26 3.29 1.49 1.49 3.61 1.81 1.81 2.84 1.04 1.04 2.84 1.04 1.04 2.53 0.73 0.73 2.53 0.73 0.73 3.47 1.67 1.67 3.03 1.24 1.24 3.34 1.54 1.54 3.48 1.69 1.69 2.53 0.73 0.73 2.91 1.11 1.11 2.91 1.11 1.11 2.73 0.93 0.93 2.73 0.93 0.93 3.52 1.72 1.72 3.05 1.26 1.26 3.09 1.29 1.29 2.73 0.93 0.93 2.98 1.18 1.18 2.98 1.18 1.18 2.46 0.66 0.66 3.25 1.45 1.45 2.76 0.97 0.97 3.27 1.47 1.47 2.55 0.75 0.75 2.48 0.68 0.68 2.55 0.75 0.75 2.55 0.75 0.75 2.46 0.66 0.66 3.21 1.42 1.42 3.21 1.42 1.42 2.78 0.99 0.99 3.30 1.51 1.51 2.87 1.08 1.08 2.44 0.64 0.64 3.18 1.38 1.38 3.11 1.31 1.31 3.29 1.49 1.49 3.23 1.44 1.44 2.40 0.61 0.61 2.49 0.70 0.70 2.44 0.64 0.64 3.14 1.35 1.35 3.43 1.63 1.63 2.71 0.91 0.91 2.49 0.70 0.70 2.58 0.79 0.79 2.48 0.68 0.68 3.18 1.38 1.38 3.12 1.33 1.33 2.93 1.13 1.13 3.02 1.22 1.22 2.84 1.04 1.04 3.03 1.24 1.24 3.18 1.38 1.38 2.51 0.72 0.72 3.11 1.31 1.31 3.70 1.90 1.90 2.93 1.13 1.13 3.16 1.36 1.36 2.55 0.75 0.75 3.05 1.26 1.26 3.32 1.53 1.53 3.68 1.89 1.89 2.49 0.70 0.70 2.84 1.05 1.05 2.46 0.66 0.66 3.32 1.53 1.53 3.72 1.92 1.92 3.86 2.07 2.07 3.90 2.10 2.10 2.73 0.93 0.93 2.57 0.77 0.77 3.50 1.71 1.71 3.79 1.99 1.99 3.47 1.67 1.67 3.54 1.74 1.74 2.80 1.00 1.00 2.85 1.06 1.06 3.56 1.76 1.76 2.82 1.02 1.02 2.82 1.02 1.02 3.00 1.20 1.20 3.57 1.78 1.78 3.81 2.01 2.01 3.16 1.36 1.36 3.16 1.36 1.36 2.69 0.90 0.90 3.25 1.45 1.45 3.45 1.65 1.65 3.66 1.87 1.87 2.98 1.18 1.18 3.39 1.60 1.60 3.52 1.72 1.72 3.52 1.72 1.72 3.05 1.26 1.26 3.05 1.26 1.26 2.78 0.99 0.99 2.76 0.97 0.97 3.09 1.29 1.29 2.87 1.08 1.08 3.14 1.35 1.35 3.21 1.42 1.42 2.82 1.02 1.02 2.46 0.66 0.66 2.40 0.61 0.61 3.48 1.69 1.69 3.27 1.47 1.47 3.29 1.49 1.49 2.55 0.75 0.75 2.55 0.75 0.75 2.64 0.84 0.84 2.44 0.64 0.64 2.64 0.84 0.84 3.41 1.62 1.62 3.50 1.71 1.71 2.64 0.84 0.84 2.85 1.06 1.06 2.40 0.61 0.61 2.51 0.72 0.72 3.18 1.38 1.38 3.03 1.24 1.24 3.57 1.78 1.78 2.49 0.70 0.70 2.46 0.66 0.66 2.40 0.61 0.61 2.82 1.02 1.02 2.48 0.68 0.68 3.61 1.81 1.81 3.20 1.40 1.40 2.85 1.06 1.06 3.21 1.42 1.42 3.30 1.51 1.51 2.78 0.99 0.99 3.18 1.38 1.38 2.42 0.63 0.63 2.42 0.63 0.63 2.48 0.68 0.68 3.39 1.60 1.60 3.12 1.33 1.33 3.48 1.69 1.69 2.96 1.17 1.17 2.96 1.17 1.17 2.98 1.18 1.18 2.64 0.84 0.84 3.90 2.10 2.10 2.48 0.68 0.68 3.06 1.26 1.26 2.53 0.73 0.73 2.53 0.73 0.73 2.89 1.09 1.09 3.25 1.45 1.45 3.34 1.54 1.54 2.53 0.73 0.73 2.62 0.82 0.82 2.62 0.82 0.82 3.30 1.51 1.51 3.43 1.63 1.63 3.25 1.45 1.45 2.40 0.61 0.61 2.67 0.88 0.88 3.05 1.26 1.26 3.68 1.89 1.89 2.85 1.06 1.06 3.68 1.89 1.89 2.48 0.68 0.68 2.48 0.68 0.68 2.48 0.68 0.68 2.39 0.59 0.59 3.18 1.38 1.38 2.94 1.15 1.15 2.96 1.17 1.17 2.96 1.17 1.17 2.48 0.68 0.68 2.48 0.68 0.68 2.53 0.73 0.73 3.34 1.54 1.54 3.29 1.49 1.49 2.96 1.17 1.17 2.96 1.17 1.17 3.68 1.89 1.89 3.20 1.40 1.40 2.78 0.99 0.99 3.20 1.40 1.40 2.49 0.70 0.70 2.51 0.72 0.72 2.51 0.72 0.72 3.39 1.60 1.60 3.75 1.96 1.96 3.14 1.35 1.35 3.68 1.89 1.89 2.55 0.75 0.75 2.82 1.02 1.02 2.57 0.77 0.77 3.70 1.90 1.90 3.38 1.58 1.58 2.51 0.72 0.72 2.55 0.75 0.75 2.71 0.91 0.91 3.27 1.47 1.47 3.50 1.71 1.71 3.43 1.63 1.63 3.43 1.63 1.63 3.45 1.65 1.65 3.52 1.72 1.72 2.44 0.64 0.64 2.62 0.82 0.82 2.60 0.81 0.81 2.46 0.66 0.66 2.46 0.66 0.66 2.44 0.64 0.64 3.25 1.45 1.45 3.90 2.10 2.10 2.96 1.17 1.17 2.80 1.00 1.00 2.80 1.00 1.00 2.58 0.79 0.79 3.36 1.56 1.56 3.07 1.27 1.27 2.84 1.04 1.04 2.84 1.04 1.04 2.78 0.99 0.99 3.43 1.63 1.63 2.85 1.06 1.06 3.14 1.35 1.35 3.27 1.47 1.47 2.57 0.77 0.77 3.07 1.27 1.27 3.21 1.42 1.42 3.00 1.20 1.20 2.40 0.61 0.61 2.53 0.73 0.73 2.66 0.86 0.86 3.21 1.42 1.42 3.41 1.62 1.62 2.62 0.82 0.82 3.25 1.45 1.45 2.55 0.75 0.75 2.85 1.06 1.06 3.90 2.10 2.10 3.16 1.36 1.36 2.93 1.13 1.13 2.93 1.13 1.13 3.05 1.26 1.26 2.87 1.08 1.08 2.87 1.08 1.08 2.69 0.90 0.90 2.66 0.86 0.86 3.02 1.22 1.22 2.62 0.82 0.82 2.89 1.09 1.09 2.82 1.02 1.02 2.39 0.59 0.59 3.74 1.94 1.94 3.09 1.29 1.29 2.49 0.70 0.70 2.73 0.93 0.93 3.27 1.47 1.47 2.93 1.13 1.13 3.52 1.72 1.72 3.38 1.58 1.58 2.51 0.72 0.72 2.40 0.61 0.61 3.20 1.40 1.40 3.43 1.63 1.63 2.69 0.90 0.90 3.20 1.40 1.40 3.45 1.65 1.65 2.33 0.54 0.54 2.49 0.70 0.70 3.30 1.51 1.51 3.30 1.51 1.51 3.90 2.10 2.10 2.49 0.70 0.70 2.40 0.61 0.61 2.40 0.61 0.61 2.48 0.68 0.68 3.02 1.22 1.22 2.80 1.00 1.00 2.80 1.00 1.00 2.46 0.66 0.66 2.46 0.66 0.66 2.44 0.64 0.64 3.41 1.62 1.62 3.02 1.22 1.22 3.02 1.22 1.22 2.75 0.95 0.95 2.75 0.95 0.95 3.25 1.45 1.45 3.16 1.36 1.36 3.36 1.56 1.56 2.53 0.73 0.73 3.30 1.51 1.51 3.30 1.51 1.51 2.58 0.79 0.79 2.48 0.68 0.68 3.39 1.60 1.60 3.30 1.51 1.51 3.48 1.69 1.69 2.57 0.77 0.77 2.69 0.90 0.90 3.07 1.27 1.27 2.44 0.64 0.64 3.27 1.47 1.47 3.27 1.47 1.47 2.89 1.09 1.09 3.25 1.45 1.45 2.46 0.66 0.66 2.73 0.93 0.93 2.64 0.84 0.84 3.02 1.22 1.22 3.45 1.65 1.65 2.48 0.68 0.68 3.10 1.30 1.30 2.42 0.63 0.63 2.62 0.82 0.82 3.18 1.38 1.38 3.30 1.51 1.51 2.78 0.99 0.99 3.30 1.51 1.51 2.66 0.86 0.86 2.71 0.91 0.91 2.39 0.59 0.59 2.55 0.75 0.75 3.05 1.26 1.26 2.67 0.88 0.88 2.55 0.75 0.75 3.52 1.72 1.72 3.90 2.10 2.10 2.87 1.08 1.08 2.76 0.97 0.97 3.11 1.31 1.31 2.89 1.09 1.09 2.87 1.08 1.08 3.36 1.56 1.56 3.23 1.44 1.44 2.87 1.08 1.08 3.65 1.85 1.85 3.16 1.36 1.36 2.84 1.04 1.04 3.38 1.58 1.58 2.94 1.15 1.15 2.67 0.88 0.88 2.48 0.68 0.68 3.74 1.94 1.94 3.32 1.53 1.53 2.67 0.88 0.88 3.70 1.90 1.90 3.02 1.22 1.22 2.91 1.11 1.11 2.96 1.17 1.17 2.78 0.99 0.99 2.62 0.82 0.82 2.76 0.97 0.97 3.09 1.29 1.29 3.54 1.74 1.74 3.18 1.38 1.38 3.02 1.22 1.22 2.66 0.86 0.86 2.66 0.86 0.86 3.27 1.47 1.47 3.43 1.63 1.63 3.12 1.33 1.33 3.56 1.76 1.76 2.66 0.86 0.86 2.75 0.95 0.95 2.75 0.95 0.95 2.64 0.84 0.84 2.55 0.75 0.75 2.62 0.82 0.82 3.90 2.10 2.10 3.65 1.85 1.85 2.75 0.95 0.95 2.78 0.99 0.99 2.53 0.73 0.73 3.66 1.87 1.87 3.11 1.31 1.31 2.73 0.93 0.93 3.66 1.87 1.87 2.48 0.68 0.68 2.71 0.91 0.91 2.44 0.64 0.64 2.49 0.70 0.70 2.66 0.86 0.86 2.67 0.88 0.88 2.67 0.88 0.88 2.85 1.06 1.06 2.73 0.93 0.93 3.27 1.47 1.47 3.56 1.76 1.76 2.40 0.61 0.61 2.69 0.90 0.90 2.69 0.90 0.90 2.44 0.64 0.64 3.90 2.10 2.10 2.94 1.15 1.15 3.16 1.36 1.36 3.36 1.56 1.56 3.57 1.78 1.78 2.35 0.55 0.55 2.51 0.72 0.72 3.59 1.80 1.80 2.51 0.72 0.72 2.69 0.90 0.90 2.57 0.77 0.77 2.75 0.95 0.95 3.54 1.74 1.74 2.46 0.66 0.66 2.75 0.95 0.95 2.75 0.95 0.95 2.46 0.66 0.66 2.42 0.63 0.63 3.43 1.63 1.63 3.05 1.26 1.26 3.68 1.89 1.89 3.29 1.49 1.49 2.55 0.75 0.75 2.53 0.73 0.73 2.85 1.06 1.06 2.58 0.79 0.79 2.62 0.82 0.82 3.81 2.01 2.01 3.56 1.76 1.76 3.72 1.92 1.92 3.36 1.56 1.56 3.03 1.24 1.24 2.75 0.95 0.95 2.75 0.95 0.95 2.69 0.90 0.90 3.21 1.42 1.42 3.02 1.22 1.22 3.41 1.62 1.62 2.75 0.95 0.95 2.75 0.95 0.95 2.71 0.91 0.91 2.71 0.91 0.91 3.61 1.81 1.81 3.29 1.49 1.49 2.91 1.11 1.11 3.12 1.33 1.33 3.02 1.22 1.22 2.42 0.63 0.63 2.85 1.06 1.06 2.85 1.06 1.06 2.96 1.17 1.17 3.03 1.24 1.24 2.78 0.99 0.99 3.29 1.49 1.49 2.46 0.66 0.66 2.35 0.55 0.55 2.35 0.55 0.55 3.14 1.35 1.35 2.85 1.06 1.06 3.36 1.56 1.56 2.82 1.02 1.02 2.55 0.75 0.75 2.53 0.73 0.73 3.18 1.38 1.38 2.87 1.08 1.08 3.41 1.62 1.62 3.86 2.07 2.07 2.40 0.61 0.61 2.82 1.02 1.02 2.51 0.72 0.72 2.55 0.75 0.75 2.55 0.75 0.75 2.57 0.77 0.77 3.32 1.53 1.53 3.86 2.07 2.07 3.27 1.47 1.47 2.96 1.17 1.17 2.96 1.17 1.17 2.73 0.93 0.93 2.73 0.93 0.93 3.14 1.35 1.35 3.21 1.42 1.42 3.23 1.44 1.44 2.67 0.88 0.88 2.96 1.17 1.17 2.96 1.17 1.17 3.47 1.67 1.67 3.36 1.56 1.56 2.48 0.68 0.68 2.58 0.79 0.79 3.14 1.35 1.35 3.48 1.69 1.69 3.21 1.42 1.42 3.52 1.72 1.72 2.46 0.66 0.66 2.44 0.64 0.64 2.58 0.79 0.79 3.70 1.90 1.90 3.32 1.53 1.53 3.21 1.42 1.42 3.05 1.26 1.26 3.43 1.63 1.63 3.45 1.65 1.65 3.20 1.40 1.40 3.47 1.67 1.67 3.54 1.74 1.74 2.66 0.86 0.86 2.78 0.99 0.99 3.91 2.11 2.11 4.03 2.24 2.24 3.34 1.54 1.54 3.27 1.47 1.47 2.89 1.09 1.09 2.96 1.17 1.17 3.12 1.33 1.33 3.56 1.76 1.76 3.72 1.92 1.92 3.21 1.42 1.42 3.27 1.47 1.47 3.54 1.74 1.74 3.57 1.78 1.78 3.52 1.72 1.72 3.39 1.60 1.60 3.09 1.29 1.29 3.09 1.29 1.29 3.61 1.81 1.81 3.61 1.81 1.81 3.43 1.63 1.63 3.43 1.63 1.63 3.90 2.10 2.10 3.29 1.49 1.49 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.70 1.90 1.90 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 2.82 1.02 1.02 3.84 2.05 2.05 3.66 1.87 1.87 3.66 1.87 1.87 3.30 1.51 1.51 3.29 1.49 1.49 2.98 1.18 1.18 3.77 1.98 1.98 3.77 1.98 1.98 4.34 2.54 2.54 2.76 0.97 0.97 3.52 1.72 1.72 3.39 1.60 1.60 3.53 1.73 1.73 3.65 1.86 1.86 3.75 1.96 1.96 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.90 2.10 2.10 3.05 1.26 1.26 3.05 1.26 1.26 3.90 2.10 2.10 3.90 2.10 2.10 2.89 1.09 1.09 2.89 1.09 1.09 3.52 1.72 1.72 3.52 1.72 1.72 3.56 1.76 1.76 3.56 1.76 1.76 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 2.78 0.99 0.99 3.38 1.58 1.58 4.34 2.54 2.54 3.57 1.78 1.78 3.77 1.98 1.98 3.21 1.42 1.42 3.61 1.81 1.81 3.79 1.99 1.99 3.79 1.99 1.99 4.34 2.54 2.54 4.34 2.54 2.54 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.00 1.20 1.20 3.00 1.20 1.20 3.90 2.10 2.10 2.89 1.09 1.09 3.56 1.76 1.76 2.64 0.84 0.84 3.34 1.54 1.54 3.54 1.74 1.74 3.54 1.74 1.74 4.34 2.54 2.54 3.12 1.33 1.33 3.12 1.33 1.33 3.75 1.96 1.96 3.75 1.96 1.96 3.36 1.56 1.56 3.36 1.56 1.56 3.70 1.90 1.90 3.70 1.90 1.90 3.36 1.56 1.56 3.36 1.56 1.56 2.87 1.08 1.08 3.65 1.85 1.85 3.52 1.72 1.72 4.34 2.54 2.54 3.90 2.10 2.10 4.84 3.04 3.04 3.52 1.72 1.72 3.90 2.10 2.10 3.90 2.10 2.10 3.39 1.60 1.60 3.90 2.10 2.10 3.47 1.67 1.67 3.57 1.78 1.78 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 2.82 1.02 1.02 3.74 1.94 1.94 4.34 2.54 2.54 4.28 2.49 2.49 4.24 2.45 2.45 3.83 2.04 2.04 4.35 2.56 2.56 3.24 1.44 1.44 2.93 1.14 1.14 3.15 1.35 1.35 3.62 1.82 1.82 3.67 1.87 1.87 4.16 2.36 2.36 3.90 2.11 2.11 2.73 0.94 0.94 2.93 1.14 1.14 4.05 2.25 2.25 3.85 2.05 2.05 3.83 2.04 2.04 4.26 2.47 2.47 3.29 1.50 1.50 2.91 1.12 1.12 3.76 1.96 1.96 4.26 2.47 2.47 3.65 1.86 1.86 3.70 1.91 1.91 4.21 2.41 2.41 3.76 1.96 1.96 3.60 1.80 1.80 3.65 1.86 1.86 3.31 1.51 1.51 3.65 1.86 1.86 3.83 2.04 2.04 3.29 1.50 1.50 3.51 1.71 1.71 4.25 2.45 2.45 2.71 0.92 0.92 3.04 1.24 1.24 4.21 2.41 2.41 4.30 2.50 2.50 3.54 1.75 1.75 3.54 1.75 1.75 3.45 1.66 1.66 4.41 2.61 2.61 4.01 2.22 2.22 4.07 2.27 2.27 4.03 2.23 2.23 3.83 2.04 2.04 4.41 2.61 2.61 4.41 2.61 2.61 4.08 2.29 2.29 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.26 2.47 2.47 4.41 2.61 2.61 4.41 2.61 2.61 3.96 2.16 2.16 4.14 2.34 2.34 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.34 2.54 2.54 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.08 2.29 2.29 4.19 2.40 2.40 4.05 2.25 2.25 4.41 2.61 2.61 4.30 2.50 2.50 4.41 2.61 2.61 4.41 2.61 2.61 3.81 2.02 2.02 4.32 2.52 2.52 4.41 2.61 2.61 4.41 2.61 2.61 3.97 2.18 2.18 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.34 2.54 2.54 3.69 1.89 1.89 3.79 2.00 2.00 4.24 2.45 2.45 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.01 2.22 2.22 4.41 2.61 2.61 4.41 2.61 2.61 4.15 2.36 2.36 3.56 1.77 1.77 2.84 1.04 1.04 2.80 1.00 1.00 3.02 1.22 1.22 3.02 1.22 1.22 3.18 1.38 1.38 2.87 1.08 1.08 2.80 1.00 1.00 3.59 1.80 1.80 3.14 1.35 1.35 3.14 1.35 1.35 3.59 1.80 1.80 2.87 1.08 1.08 3.00 1.20 1.20 2.84 1.04 1.04 3.07 1.27 1.27 2.78 0.99 0.99 2.94 1.15 1.15 2.78 0.99 0.99 3.08 1.28 1.28 2.71 0.91 0.91 2.55 0.75 0.75 2.78 0.99 0.99 3.43 1.63 1.63 3.32 1.53 1.53 3.32 1.53 1.53 3.32 1.53 1.53 2.80 1.00 1.00 2.80 1.00 1.00 3.38 1.58 1.58 3.32 1.53 1.53 2.69 0.90 0.90 3.39 1.60 1.60 3.35 1.55 1.55 2.73 0.93 0.93 2.31 0.52 0.52 2.84 1.04 1.04 2.57 0.77 0.77 2.40 0.61 0.61 3.07 1.27 1.27 3.18 1.38 1.38 2.91 1.11 1.11 3.32 1.53 1.53 2.91 1.11 1.11 2.33 0.54 0.54 2.98 1.18 1.18 3.11 1.32 1.32 2.80 1.00 1.00 3.11 1.31 1.31 2.51 0.72 0.72 3.66 1.87 1.87 3.56 1.76 1.76 2.91 1.11 1.11 2.91 1.11 1.11 2.76 0.97 0.97 2.83 1.03 1.03 2.96 1.17 1.17 3.66 1.87 1.87 3.18 1.38 1.38 3.12 1.33 1.33 3.03 1.24 1.24 2.96 1.17 1.17 3.12 1.33 1.33 3.16 1.36 1.36 2.35 0.55 0.55 2.40 0.61 0.61 2.40 0.61 0.61 2.96 1.17 1.17 3.05 1.26 1.26 2.89 1.09 1.09 2.89 1.09 1.09 2.89 1.09 1.09 2.82 1.02 1.02 3.45 1.65 1.65 3.32 1.53 1.53 3.43 1.63 1.63 3.45 1.65 1.65 3.32 1.53 1.53 3.43 1.63 1.63 3.41 1.62 1.62 3.35 1.55 1.55 2.77 0.98 0.98 3.08 1.28 1.28 2.78 0.99 0.99 2.42 0.63 0.63 2.40 0.61 0.61 2.91 1.11 1.11 2.85 1.06 1.06 2.78 0.99 0.99 3.16 1.36 1.36 3.05 1.26 1.26 3.38 1.59 1.59 3.02 1.22 1.22 2.96 1.17 1.17 2.96 1.17 1.17 2.84 1.04 1.04 2.89 1.09 1.09 2.89 1.09 1.09 2.94 1.15 1.15 2.80 1.00 1.00 2.82 1.02 1.02 3.60 1.80 1.80 3.03 1.24 1.24 2.66 0.86 0.86 3.32 1.53 1.53 2.69 0.90 0.90 3.02 1.22 1.22 2.58 0.79 0.79 2.87 1.08 1.08 3.27 1.47 1.47 2.80 1.00 1.00 3.11 1.31 1.31 2.91 1.11 1.11 3.20 1.40 1.40 2.91 1.11 1.11 3.07 1.27 1.27 2.78 0.99 0.99 2.82 1.02 1.02 3.00 1.20 1.20 2.93 1.13 1.13 2.69 0.90 0.90 3.00 1.20 1.20 3.00 1.20 1.20 2.67 0.88 0.88 2.78 0.99 0.99 3.07 1.27 1.27 2.69 0.90 0.90 2.84 1.04 1.04 2.97 1.18 1.18 2.79 1.00 1.00 3.02 1.23 1.23 2.85 1.06 1.06 2.93 1.13 1.13 3.12 1.33 1.33 3.12 1.33 1.33 3.34 1.54 1.54 2.64 0.84 0.84 2.66 0.86 0.86 3.34 1.54 1.54 2.85 1.06 1.06 3.75 1.96 1.96 3.02 1.22 1.22 2.78 0.99 0.99 2.37 0.57 0.57 2.76 0.97 0.97 3.11 1.31 1.31 3.11 1.31 1.31 2.58 0.79 0.79 2.78 0.99 0.99 3.75 1.96 1.96 3.57 1.78 1.78 2.64 0.84 0.84 2.33 0.54 0.54 3.56 1.76 1.76 3.47 1.68 1.68 3.07 1.27 1.27 3.00 1.20 1.20 2.96 1.17 1.17 3.21 1.42 1.42 3.34 1.54 1.54 3.41 1.62 1.62 3.65 1.86 1.86 2.64 0.84 0.84 2.33 0.54 0.54 2.75 0.95 0.95 2.75 0.95 0.95 3.90 2.10 2.10 2.76 0.97 0.97 3.47 1.67 1.67 3.29 1.49 1.49 2.76 0.97 0.97 3.47 1.67 1.67 4.34 2.54 2.54 3.18 1.38 1.38 2.67 0.88 0.88 3.70 1.90 1.90 3.18 1.38 1.38 2.67 0.88 0.88 2.84 1.04 1.04 2.75 0.95 0.95 2.84 1.04 1.04 2.75 0.95 0.95 3.90 2.10 2.10 3.07 1.27 1.27 2.93 1.13 1.13 3.07 1.27 1.27 2.93 1.13 1.13 3.65 1.86 1.86 3.40 1.61 1.61 4.34 2.54 2.54 3.82 2.02 2.02 2.84 1.04 1.04 2.84 1.04 1.04 3.21 1.42 1.42 2.73 0.93 0.93 3.21 1.42 1.42 2.73 0.93 0.93 3.90 2.10 2.10 2.69 0.90 0.90 2.82 1.02 1.02 2.69 0.90 0.90 3.84 2.05 2.05 3.15 1.36 1.36 3.83 2.04 2.04 2.64 0.84 0.84 2.67 0.88 0.88 3.75 1.96 1.96 2.64 0.84 0.84 2.67 0.88 0.88 3.75 1.96 1.96 2.98 1.18 1.18 3.56 1.77 1.77 3.75 1.96 1.96 2.64 0.84 0.84 2.89 1.09 1.09 3.59 1.80 1.80 2.89 1.09 1.09 2.64 0.84 0.84 3.59 1.80 1.80 3.19 1.39 1.39 4.14 2.35 2.35 3.90 2.10 2.10 4.34 2.54 2.54 4.78 2.98 2.98 3.36 1.56 1.56 3.75 1.96 1.96 3.36 1.56 1.56 3.59 1.80 1.80 3.70 1.90 1.90 3.59 1.80 1.80 3.70 1.90 1.90 4.07 2.27 2.27 3.90 2.10 2.10 4.01 2.22 2.22 4.34 2.54 2.54 4.34 2.54 2.54 2.71 0.91 0.91 3.72 1.92 1.92 2.71 0.91 0.91 3.90 2.10 2.10 3.72 1.92 1.92 3.90 2.10 2.10 3.23 1.44 1.44 2.98 1.18 1.18 3.90 2.10 2.10 3.23 1.44 1.44 2.98 1.18 1.18 2.84 1.04 1.04 2.84 1.04 1.04 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.14 2.35 2.35 4.14 2.35 2.35 4.78 2.98 2.98 4.34 2.54 2.54 4.32 2.53 2.53 4.18 2.38 2.38 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 4.34 2.54 2.54 3.90 2.10 2.10 3.07 1.27 1.27 2.91 1.11 1.11 3.90 2.10 2.10 3.07 1.27 1.27 2.91 1.11 1.11 3.90 2.10 2.10 2.89 1.09 1.09 2.69 0.90 0.90 4.10 2.31 2.31 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.96 3.17 3.17 4.28 2.49 2.49 4.22 2.43 2.43 4.19 2.40 2.40 4.19 2.40 2.40 3.67 1.88 1.88 3.67 1.88 1.88 4.24 2.45 2.45 3.18 1.38 1.38 4.12 2.32 2.32 4.96 3.17 3.17 5.40 3.61 3.61 4.34 2.54 2.54 4.34 2.54 2.54 3.90 2.10 2.10 4.34 2.54 2.54 3.88 2.08 2.08 4.34 2.54 2.54 3.87 2.07 2.07 4.34 2.54 2.54 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 3.05 1.26 1.26 3.88 2.08 2.08 4.69 2.90 2.90 3.90 2.10 2.10 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 4.34 2.54 2.54 4.34 2.54 2.54 3.17 1.37 1.37 4.10 2.31 2.31 4.34 2.54 2.54 5.40 3.61 3.61 5.40 3.61 3.61 3.90 2.10 2.10 2.94 1.15 1.15 3.90 2.10 2.10 3.51 1.72 1.72 3.51 1.72 1.72 2.94 1.15 1.15 3.90 2.10 2.10 4.92 3.12 3.12 5.40 3.61 3.61 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.16 2.36 2.36 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.52 1.72 1.72 2.85 1.06 1.06 2.85 1.06 1.06 3.90 2.10 2.10 4.96 3.17 3.17 3.74 1.94 1.94 3.65 1.85 1.85 3.90 2.10 2.10 3.90 2.10 2.10 3.74 1.94 1.94 4.57 2.77 2.77 4.96 3.17 3.17 5.41 3.61 3.61 5.41 3.61 3.61 5.41 3.61 3.61 4.96 3.17 3.17 5.19 3.39 3.39 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 4.34 2.54 2.54 3.84 2.05 2.05 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.90 2.10 2.10 3.84 2.05 2.05 4.96 3.17 3.17 4.78 2.99 2.99 4.96 3.17 3.17 5.41 3.61 3.61 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 5.40 3.61 3.61 4.96 3.17 3.17 3.90 2.10 2.10 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 4.96 3.17 3.17 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 4.96 3.17 3.17 4.58 2.79 2.79 3.79 1.99 1.99 3.30 1.51 1.51 3.90 2.10 2.10 3.90 2.10 2.10 4.96 3.17 3.17 5.40 3.61 3.61 4.96 3.17 3.17 3.76 1.96 1.96 2.73 0.94 0.94 3.34 1.55 1.55 3.97 2.18 2.18 3.94 2.14 2.14 3.36 1.57 1.57 4.28 2.49 2.49 3.70 1.91 1.91 3.70 1.91 1.91 3.22 1.42 1.42 3.47 1.68 1.68 2.79 0.99 0.99 3.67 1.87 1.87 2.79 0.99 0.99 2.75 0.96 0.96 3.40 1.60 1.60 3.31 1.51 1.51 3.09 1.30 1.30 3.81 2.02 2.02 3.72 1.93 1.93 2.62 0.83 0.83 2.91 1.12 1.12 3.51 1.71 1.71 3.25 1.46 1.46 3.36 1.57 1.57 3.04 1.24 1.24 3.72 1.93 1.93 2.99 1.19 1.19 2.93 1.14 1.14 2.66 0.87 0.87 2.70 0.90 0.90 3.06 1.26 1.26 3.15 1.35 1.35 3.18 1.39 1.39 2.68 0.88 0.88 4.16 2.36 2.36 3.61 1.82 1.82 2.91 1.12 1.12 3.60 1.80 1.80 3.33 1.53 1.53 2.71 0.92 0.92 3.25 1.46 1.46 3.61 1.82 1.82 3.08 1.28 1.28 2.79 0.99 0.99 2.73 0.94 0.94 2.61 0.81 0.81 3.54 1.75 1.75 3.11 1.32 1.32 2.70 0.90 0.90 3.87 2.07 2.07 3.06 1.26 1.26 3.24 1.44 1.44 3.15 1.35 1.35 3.24 1.44 1.44 3.78 1.98 1.98 3.09 1.30 1.30 3.06 1.26 1.26 3.71 1.91 1.91 2.91 1.12 1.12 2.68 0.88 0.88 3.60 1.80 1.80 2.75 0.96 0.96 3.61 1.82 1.82 3.45 1.66 1.66 2.73 0.94 0.94 2.77 0.97 0.97 4.41 2.61 2.61 3.56 1.77 1.77 3.25 1.46 1.46 2.75 0.96 0.96 4.05 2.25 2.25 3.54 1.75 1.75 3.70 1.91 1.91 2.82 1.03 1.03 3.53 1.73 1.73 3.33 1.53 1.53 3.13 1.33 1.33 3.87 2.07 2.07 4.06 2.27 2.27 4.14 2.34 2.34 2.98 1.19 1.19 3.45 1.66 1.66 3.16 1.37 1.37 3.16 1.37 1.37 3.80 2.00 2.00 4.41 2.61 2.61 3.29 1.50 1.50 3.13 1.33 1.33 3.45 1.66 1.66 2.93 1.14 1.14 2.77 0.97 0.97 3.61 1.82 1.82 3.22 1.42 1.42 2.90 1.10 1.10 2.72 0.92 0.92 3.96 2.16 2.16 3.45 1.66 1.66 3.18 1.39 1.39 4.12 2.32 2.32 2.93 1.14 1.14 4.41 2.61 2.61 3.34 1.55 1.55 4.41 2.61 2.61 2.86 1.06 1.06 2.73 0.94 0.94 3.00 1.21 1.21 2.89 1.10 1.10 2.95 1.15 1.15 3.40 1.60 1.60 3.42 1.62 1.62 4.28 2.49 2.49 4.41 2.61 2.61 4.41 2.61 2.61 4.06 2.27 2.27 3.78 1.99 1.99 2.91 1.12 1.12 2.75 0.96 0.96 3.90 2.11 2.11 4.41 2.61 2.61 4.01 2.22 2.22 3.99 2.20 2.20 3.38 1.59 1.59 4.14 2.34 2.34 3.24 1.44 1.44 3.49 1.69 1.69 4.41 2.61 2.61 3.85 2.05 2.05 3.31 1.51 1.51 3.25 1.46 1.46 3.78 1.98 1.98 3.87 2.08 2.08 3.49 1.69 1.69 3.49 1.69 1.69 3.58 1.78 1.78 3.58 1.78 1.78 3.24 1.44 1.44 3.24 1.44 1.44 3.65 1.86 1.86 3.65 1.86 1.86 3.69 1.89 1.89 4.32 2.52 2.52 4.30 2.50 2.50 3.38 1.59 1.59 4.82 3.03 3.03 4.99 3.19 3.19 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 3.09 1.30 1.30 3.74 1.95 1.95 3.96 2.16 2.16 3.69 1.89 1.89 3.93 2.13 2.13 3.89 2.09 2.09 3.65 1.86 1.86 3.51 1.71 1.71 4.30 2.50 2.50 3.51 1.71 1.71 4.92 3.12 3.12 4.20 2.40 2.40 4.32 2.53 2.53 3.22 1.42 1.42 3.87 2.08 2.08 4.84 3.05 3.05 3.36 1.57 1.57 5.47 3.68 3.68 3.56 1.77 1.77 3.83 2.04 2.04 3.58 1.78 1.78 3.83 2.04 2.04 3.06 1.26 1.26 3.99 2.20 2.20 4.14 2.34 2.34 3.51 1.71 1.71 3.94 2.15 2.15 4.66 2.87 2.87 5.33 3.53 3.53 5.47 3.68 3.68 4.32 2.53 2.53 4.41 2.61 2.61 4.39 2.59 2.59 3.89 2.10 2.10 4.66 2.87 2.87 3.84 2.04 2.04 4.66 2.87 2.87 4.03 2.23 2.23 3.56 1.77 1.77 4.37 2.58 2.58 4.41 2.61 2.61 4.55 2.76 2.76 3.88 2.09 2.09 4.92 3.12 3.12 4.92 3.12 3.12 4.41 2.61 2.61 3.83 2.04 2.04 4.55 2.76 2.76 4.90 3.10 3.10 5.47 3.68 3.68 4.10 2.31 2.31 4.85 3.05 3.05 4.23 2.43 2.43 3.36 1.57 1.57 4.19 2.40 2.40 3.97 2.18 2.18 5.40 3.60 3.60 4.93 3.14 3.14 4.90 3.10 3.10 3.54 1.75 1.75 5.47 3.68 3.68 4.41 2.61 2.61 4.08 2.29 2.29 4.41 2.61 2.61 4.52 2.72 2.72 3.70 1.91 1.91 4.21 2.41 2.41 3.61 1.82 1.82 4.41 2.61 2.61 4.12 2.33 2.33 4.92 3.12 3.12 4.41 2.61 2.61 4.17 2.38 2.38 4.85 3.05 3.05 4.42 2.62 2.62 4.08 2.29 2.29 4.08 2.29 2.29 4.23 2.43 2.43 3.78 1.98 1.98 4.56 2.76 2.76 3.78 1.98 1.98 3.69 1.89 1.89 4.81 3.02 3.02 4.57 2.78 2.78 4.70 2.91 2.91 4.85 3.05 3.05 3.72 1.93 1.93 4.61 2.81 2.81 4.50 2.70 2.70 4.21 2.41 2.41 3.51 1.71 1.71 3.63 1.84 1.84 4.25 2.46 2.46 4.92 3.12 3.12 3.84 2.04 2.04 4.06 2.27 2.27 3.63 1.84 1.84 4.03 2.23 2.23 4.41 2.61 2.61 3.18 1.39 1.39 4.37 2.58 2.58 4.37 2.58 2.58 3.74 1.95 1.95 3.87 2.07 2.07 4.41 2.61 2.61 4.92 3.12 3.12 3.94 2.14 2.14 4.36 2.56 2.56 4.18 2.38 2.38 4.05 2.25 2.25 4.37 2.58 2.58 4.09 2.30 2.30 4.07 2.28 2.28 4.85 3.05 3.05 3.82 2.03 2.03 4.27 2.48 2.48 4.38 2.58 2.58 4.15 2.36 2.36 3.87 2.07 2.07 3.93 2.13 2.13 3.18 1.39 1.39 2.95 1.15 1.15 3.43 1.64 1.64 3.94 2.14 2.14 3.47 1.68 1.68 3.13 1.33 1.33 3.13 1.33 1.33 4.13 2.33 2.33 3.90 2.11 2.11 4.10 2.31 2.31 4.10 2.31 2.31 4.00 2.20 2.20 3.75 1.95 1.95 4.45 2.65 2.65 3.93 2.13 2.13 4.41 2.61 2.61 4.23 2.44 2.44 4.41 2.61 2.61 4.41 2.61 2.61 3.42 1.62 1.62 4.41 2.61 2.61 4.41 2.61 2.61 4.32 2.52 2.52 3.31 1.51 1.51 3.94 2.14 2.14 4.41 2.61 2.61 4.09 2.30 2.30 4.85 3.05 3.05 4.85 3.05 3.05 4.85 3.05 3.05 5.40 3.61 3.61 3.57 1.77 1.77 3.80 2.01 2.01 3.69 1.90 1.90 3.91 2.11 2.11 3.53 1.73 1.73 3.65 1.86 1.86 4.41 2.61 2.61 4.41 2.61 2.61 4.35 2.56 2.56 3.20 1.41 1.41 3.74 1.95 1.95 4.32 2.52 2.52 4.06 2.27 2.27 3.49 1.69 1.69 3.63 1.84 1.84 4.41 2.61 2.61 3.60 1.80 1.80 3.31 1.51 1.51 3.52 1.73 1.73 4.01 2.22 2.22 3.72 1.93 1.93 3.22 1.42 1.42 3.25 1.46 1.46 3.26 1.46 1.46 2.97 1.17 1.17 3.70 1.91 1.91 4.03 2.23 2.23 4.92 3.12 3.12 3.58 1.79 1.79 3.82 2.02 2.02 4.00 2.20 2.20 3.73 1.93 1.93 3.59 1.79 1.79 4.41 2.61 2.61 3.76 1.96 1.96 3.36 1.57 1.57 3.36 1.57 1.57 4.30 2.50 2.50 4.45 2.66 2.66 4.29 2.49 2.49 4.92 3.12 3.12 3.56 1.77 1.77 4.23 2.43 2.43 4.24 2.45 2.45 4.36 2.56 2.56 3.69 1.90 1.90 3.80 2.01 2.01 4.92 3.12 3.12 3.49 1.69 1.69 3.40 1.60 1.60 3.49 1.69 1.69 3.67 1.87 1.87 3.40 1.60 1.60 3.31 1.51 1.51 3.92 2.13 2.13 3.74 1.95 1.95 4.41 2.61 2.61 3.87 2.07 2.07 3.29 1.50 1.50 3.16 1.37 1.37 3.80 2.00 2.00 3.78 1.98 1.98 5.47 3.68 3.68 3.67 1.87 1.87 3.54 1.75 1.75 4.41 2.61 2.61 4.56 2.76 2.76 4.52 2.72 2.72 5.47 3.68 3.68 5.47 3.68 3.68 2.75 0.96 0.96 2.80 1.01 1.01 4.00 2.21 2.21 4.41 2.61 2.61 4.25 2.46 2.46 4.52 2.73 2.73 3.90 2.11 2.11 3.60 1.80 1.80 3.88 2.09 2.09 4.41 2.61 2.61 5.44 3.64 3.64 3.81 2.02 2.02 3.13 1.33 1.33 3.43 1.64 1.64 2.86 1.06 1.06 3.44 1.64 1.64 4.03 2.23 2.23 4.26 2.47 2.47 4.92 3.12 3.12 4.65 2.85 2.85 4.21 2.41 2.41 3.69 1.89 1.89 3.69 1.89 1.89 5.47 3.68 3.68 4.61 2.81 2.81 4.41 2.61 2.61 3.90 2.11 2.11 4.85 3.05 3.05 3.56 1.77 1.77 3.99 2.20 2.20 3.44 1.64 1.64 3.49 1.69 1.69 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.39 2.59 2.59 3.34 1.55 1.55 3.81 2.02 2.02 4.41 2.61 2.61 4.41 2.61 2.61 5.47 3.68 3.68 4.41 2.61 2.61 2.91 1.12 1.12 3.49 1.69 1.69 4.23 2.43 2.43 4.70 2.91 2.91 4.07 2.27 2.27 3.76 1.96 1.96 4.67 2.87 2.87 4.41 2.61 2.61 5.47 3.68 3.68 4.54 2.74 2.74 3.81 2.02 2.02 4.28 2.49 2.49 5.40 3.60 3.60 3.35 1.55 1.55 3.26 1.46 1.46 3.58 1.78 1.78 3.65 1.86 1.86 4.70 2.91 2.91 3.63 1.84 1.84 4.69 2.89 2.89 4.14 2.35 2.35 3.92 2.13 2.13 3.70 1.91 1.91 4.19 2.40 2.40 4.72 2.93 2.93 3.92 2.13 2.13 4.25 2.45 2.45 3.96 2.16 2.16 4.24 2.45 2.45 4.01 2.22 2.22 4.76 2.96 2.96 3.75 1.95 1.95 4.23 2.43 2.43 4.41 2.61 2.61 3.88 2.09 2.09 4.63 2.84 2.84 3.65 1.86 1.86 3.65 1.86 1.86 4.41 2.61 2.61 3.94 2.15 2.15 4.19 2.40 2.40 4.41 2.61 2.61 4.07 2.27 2.27 4.41 2.61 2.61 4.15 2.36 2.36 5.47 3.68 3.68 3.02 1.23 1.23 3.29 1.50 1.50 3.78 1.98 1.98 3.94 2.14 2.14 3.29 1.50 1.50 3.29 1.50 1.50 3.60 1.80 1.80 3.49 1.69 1.69 3.42 1.62 1.62 3.49 1.69 1.69 4.16 2.37 2.37 4.16 2.37 2.37 4.14 2.35 2.35 3.73 1.93 1.93 3.94 2.14 2.14 3.88 2.09 2.09 3.33 1.53 1.53 3.56 1.77 1.77 3.87 2.07 2.07 3.87 2.07 2.07 4.41 2.61 2.61 4.92 3.12 3.12 4.92 3.12 3.12 4.11 2.31 2.31 4.88 3.09 3.09 4.41 2.61 2.61 4.32 2.52 2.52 3.47 1.68 1.68 4.05 2.25 2.25 4.05 2.25 2.25 4.23 2.43 2.43 4.34 2.55 2.55 4.68 2.89 2.89 3.75 1.95 1.95 4.92 3.12 3.12 3.81 2.02 2.02 4.41 2.61 2.61 4.01 2.22 2.22 4.19 2.40 2.40 4.41 2.61 2.61 3.24 1.44 1.44 4.12 2.33 2.33 3.36 1.57 1.57 2.99 1.19 1.19 4.05 2.25 2.25 2.88 1.08 1.08 3.33 1.53 1.53 3.47 1.68 1.68 3.98 2.18 2.18 3.76 1.96 1.96 3.97 2.18 2.18 4.41 2.61 2.61 3.58 1.78 1.78 4.14 2.34 2.34 3.80 2.01 2.01 4.18 2.38 2.38 4.92 3.12 3.12 3.51 1.72 1.72 4.34 2.55 2.55 4.92 3.12 3.12 4.41 2.61 2.61 4.21 2.41 2.41 3.75 1.95 1.95 4.00 2.21 2.21 3.54 1.75 1.75 3.89 2.09 2.09 4.29 2.50 2.50 3.78 1.98 1.98 3.54 1.75 1.75 3.65 1.86 1.86 4.63 2.84 2.84 4.41 2.61 2.61 4.17 2.38 2.38 3.38 1.59 1.59 3.79 2.00 2.00 3.20 1.41 1.41 3.17 1.37 1.37 4.26 2.47 2.47 4.32 2.52 2.52 4.21 2.42 2.42 3.56 1.77 1.77 3.04 1.24 1.24 3.29 1.50 1.50 3.38 1.59 1.59 4.57 2.78 2.78 3.71 1.91 1.91 3.56 1.77 1.77 4.48 2.69 2.69 3.52 1.73 1.73 3.81 2.02 2.02 3.09 1.30 1.30 3.11 1.32 1.32 4.41 2.61 2.61 4.30 2.50 2.50 4.41 2.61 2.61 4.41 2.61 2.61 5.47 3.68 3.68 4.85 3.05 3.05 4.41 2.61 2.61 4.07 2.28 2.28 4.40 2.60 2.60 4.11 2.31 2.31 4.10 2.31 2.31 3.65 1.86 1.86 4.39 2.60 2.60 4.90 3.10 3.10 3.87 2.07 2.07 4.33 2.54 2.54 4.26 2.47 2.47 3.69 1.89 1.89 4.92 3.12 3.12 4.41 2.61 2.61 3.99 2.20 2.20 4.74 2.94 2.94 4.41 2.61 2.61 3.72 1.93 1.93 5.47 3.68 3.68 3.87 2.08 2.08 4.27 2.47 2.47 4.92 3.12 3.12 4.39 2.59 2.59 4.41 2.61 2.61 4.17 2.38 2.38 3.90 2.11 2.11 4.41 2.61 2.61 3.35 1.55 1.55 4.41 2.61 2.61 4.85 3.05 3.05 3.61 1.82 1.82 3.36 1.57 1.57 4.47 2.67 2.67 4.47 2.67 2.67 4.92 3.12 3.12 4.50 2.71 2.71 4.92 3.12 3.12 3.49 1.70 1.70 3.90 2.11 2.11 3.69 1.89 1.89 3.58 1.78 1.78 3.87 2.08 2.08 4.50 2.71 2.71 4.41 2.61 2.61 4.41 2.61 2.61 3.08 1.28 1.28 4.72 2.92 2.92 4.92 3.12 3.12 4.92 3.12 3.12 3.73 1.94 1.94 4.85 3.05 3.05 4.85 3.05 3.05 4.25 2.45 2.45 4.41 2.61 2.61 4.15 2.36 2.36 3.61 1.82 1.82 4.41 2.61 2.61 3.43 1.64 1.64 4.35 2.56 2.56 3.60 1.80 1.80 4.41 2.61 2.61 4.41 2.61 2.61 5.22 3.42 3.42 4.32 2.53 2.53 5.27 3.48 3.48 5.47 3.68 3.68 5.47 3.68 3.68 5.38 3.59 3.59 5.47 3.68 3.68 4.41 2.61 2.61 3.79 2.00 2.00 4.41 2.61 2.61 3.61 1.82 1.82 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 4.41 2.61 2.61 5.02 3.23 3.23 5.47 3.68 3.68 5.47 3.68 3.68 5.47 3.68 3.68 5.47 3.68 3.68 4.41 2.61 2.61 4.41 2.61 2.61 5.47 3.68 3.68 4.16 2.36 2.36 4.32 2.52 2.52 4.41 2.61 2.61 5.47 3.68 3.68 5.47 3.68 3.68 4.08 2.29 2.29 4.41 2.61 2.61 5.47 3.68 3.68 4.34 2.54 2.54 4.78 2.98 2.98 4.18 2.39 2.39 3.46 1.67 1.67 4.02 2.22 2.22 3.27 1.47 1.47 3.34 1.54 1.54 4.12 2.32 2.32 2.49 0.70 0.70 2.93 1.13 1.13 3.54 1.74 1.74 3.29 1.50 1.50 3.02 1.22 1.22 4.34 2.54 2.54 3.54 1.75 1.75 2.80 1.01 1.01 3.64 1.85 1.85 3.47 1.67 1.67 2.52 0.73 0.73 2.76 0.96 0.96 4.38 2.58 2.58 3.79 1.99 1.99 2.40 0.61 0.61 3.19 1.40 1.40 2.59 0.80 0.80 3.32 1.53 1.53 2.66 0.86 0.86 3.43 1.64 1.64 3.36 1.56 1.56 3.45 1.66 1.66 3.11 1.31 1.31 4.77 2.98 2.98 4.33 2.53 2.53 4.49 2.70 2.70 3.72 1.92 1.92 3.36 1.57 1.57 2.55 0.75 0.75 2.80 1.00 1.00 3.54 1.74 1.74 3.37 1.58 1.58 3.64 1.85 1.85 3.80 2.00 2.00 2.39 0.59 0.59 3.08 1.28 1.28 2.69 0.89 0.89 4.74 2.94 2.94 3.70 1.90 1.90 3.67 1.88 1.88 3.48 1.68 1.68 4.24 2.44 2.44 3.56 1.77 1.77 3.94 2.15 2.15 4.31 2.51 2.51 3.44 1.64 1.64 4.58 2.78 2.78 2.70 0.91 0.91 2.54 0.75 0.75 3.72 1.93 1.93 3.54 1.75 1.75 3.45 1.66 1.66 2.80 1.00 1.00 3.09 1.29 1.29 2.68 0.89 0.89 4.78 2.98 2.98 2.71 0.92 0.92 3.07 1.27 1.27 5.40 3.61 3.61 2.74 0.95 0.95 3.07 1.28 1.28 2.57 0.78 0.78 3.54 1.75 1.75 4.34 2.54 2.54 3.80 2.01 2.01 3.78 1.99 1.99 2.69 0.89 0.89 2.61 0.81 0.81 2.67 0.87 0.87 3.62 1.82 1.82 4.77 2.97 2.97 3.41 1.62 1.62 3.45 1.66 1.66 3.48 1.68 1.68 3.74 1.94 1.94 4.34 2.54 2.54 2.78 0.99 0.99 3.73 1.94 1.94 2.56 0.77 0.77 3.68 1.89 1.89 3.82 2.03 2.03 2.40 0.61 0.61 2.84 1.05 1.05 3.03 1.23 1.23 4.11 2.31 2.31 3.85 2.06 2.06 2.38 0.58 0.58 2.89 1.10 1.10 2.79 0.99 0.99 2.77 0.98 0.98 3.65 1.85 1.85 2.86 1.06 1.06 4.09 2.29 2.29 3.83 2.04 2.04 4.43 2.64 2.64 4.59 2.80 2.80 4.65 2.85 2.85 2.40 0.60 0.60 2.80 1.01 1.01 2.74 0.94 0.94 4.85 3.05 3.05 4.28 2.49 2.49 3.31 1.51 1.51 3.25 1.46 1.46 4.34 2.54 2.54 3.00 1.21 1.21 3.92 2.13 2.13 3.91 2.12 2.12 4.85 3.05 3.05 3.83 2.04 2.04 4.76 2.96 2.96 3.25 1.46 1.46 4.34 2.55 2.55 2.33 0.54 0.54 3.79 2.00 2.00 2.71 0.92 0.92 4.49 2.70 2.70 2.74 0.95 0.95 2.73 0.94 0.94 4.47 2.68 2.68 4.00 2.20 2.20 3.51 1.72 1.72 3.53 1.73 1.73 3.62 1.83 1.83 3.80 2.01 2.01 4.09 2.29 2.29 3.82 2.03 2.03 2.79 0.99 0.99 3.57 1.78 1.78 2.59 0.80 0.80 3.40 1.61 1.61 4.00 2.20 2.20 4.34 2.54 2.54 4.05 2.25 2.25 5.40 3.61 3.61 5.40 3.61 3.61 5.40 3.61 3.61 5.40 3.61 3.61 3.71 1.92 1.92 3.84 2.04 2.04 4.34 2.54 2.54 3.87 2.07 2.07 4.23 2.43 2.43 2.96 1.16 1.16 4.20 2.40 2.40 2.80 1.00 1.00 3.58 1.78 1.78 2.61 0.81 0.81 3.61 1.81 1.81 2.79 1.00 1.00 3.12 1.32 1.32 4.33 2.53 2.53 2.88 1.09 1.09 3.81 2.01 2.01 4.56 2.76 2.76 4.84 3.04 3.04 2.96 1.17 1.17 4.67 2.87 2.87 3.66 1.87 1.87 3.70 1.90 1.90 3.05 1.25 1.25 2.79 1.00 1.00 2.56 0.77 0.77 3.31 1.52 1.52 4.06 2.27 2.27 2.71 0.92 0.92 4.85 3.05 3.05 4.01 2.22 2.22 4.33 2.54 2.54 3.31 1.51 1.51 4.00 2.21 2.21 2.61 0.82 0.82 3.70 1.90 1.90 3.71 1.92 1.92 2.89 1.09 1.09 2.66 0.86 0.86 3.10 1.31 1.31 3.42 1.62 1.62 3.95 2.15 2.15 3.15 1.36 1.36 4.33 2.53 2.53 4.84 3.04 3.04 3.54 1.75 1.75 4.85 3.05 3.05 3.79 2.00 2.00 3.76 1.96 1.96 3.79 2.00 2.00 4.19 2.40 2.40 3.63 1.84 1.84 2.55 0.76 0.76 2.83 1.04 1.04 2.68 0.89 0.89 2.61 0.81 0.81 3.61 1.81 1.81 2.90 1.11 1.11 3.24 1.45 1.45 2.58 0.79 0.79 2.66 0.86 0.86 2.58 0.79 0.79 4.34 2.54 2.54 2.74 0.94 0.94 2.90 1.11 1.11 4.85 3.05 3.05 3.60 1.81 1.81 3.80 2.01 2.01 3.47 1.67 1.67 4.00 2.21 2.21 2.43 0.64 0.64 2.98 1.19 1.19 2.84 1.05 1.05 3.60 1.81 1.81 3.08 1.28 1.28 4.34 2.54 2.54 4.25 2.46 2.46 3.47 1.68 1.68 3.23 1.43 1.43 2.69 0.89 0.89

list of removed NOE constraints

   518-> ASP    48 HN   - GLU     49 HB*   1.80  6.02 	 # NoRestrctn S [2.00 6.01] -- sequential
   553-> MET    13 HN   - MET     13 HG*   1.80  6.38 	 # NoRestrctn I [2.29 6.01] -- intra 
   554-> ILE    14 HN   - ILE     14 HG1*  1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   561-> ARG    23 HN   - ARG     23 HG*   1.79  6.27 	 # NoRestrctn I [2.29 6.01] -- intra 
   564-> GLN    25 HN   - GLN     25 HG*   1.80  6.02 	 # NoRestrctn I [2.29 6.01] -- intra 
   587-> ARG    65 HN   - ARG     65 HG*   1.79  6.23 	 # NoRestrctn I [2.29 6.01] -- intra 
   608-> GLU    84 HN   - GLU     84 HG*   1.79  6.77 	 # NoRestrctn I [2.29 6.01] -- intra 
   614-> GLN    88 HN   - GLN     88 HG*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   618-> ARG    98 HN   - ARG     98 HG*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   646-> ARG   119 HN   - ARG    119 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
   697-> ILE    94 HN   - ILE     94 HD1*  1.79  6.05 	 # NoRestrctn I [2.29 6.01] -- intra 
   726-> TRP    54 HN   - ALA     55 HB*   1.80  6.12 	 # NoRestrctn S [2.00 6.01] -- sequential
   741-> GLU    76 HN   - ALA     77 HB*   1.79  6.23 	 # NoRestrctn S [2.00 6.01] -- sequential
   760-> HIS   111 HN   - ALA    112 HB*   1.79  6.91 	 # NoRestrctn S [2.00 6.01] -- sequential
   980-> ARG    53 HN   - ARG     53 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1001-> ARG    65 HN   - ARG     65 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1004-> LYS    72 HN   - LYS     72 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1052-> LYS   114 HN   - LYS    114 HD*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1167-> LEU     7 HN   - LEU      7 HD1*  1.80  7.02 	 # NoRestrctn I [2.29 6.01] -- intra 
  1205-> LEU    61 HN   - LEU     61 HD2*  1.80  6.66 	 # NoRestrctn I [2.29 6.01] -- intra 
  1240-> LEU    85 HA   - LEU     85 HD1*  1.80  7.02 	 # NoRestrctn I [2.11 5.99] -- intra 
  1241-> LEU    85 HN   - LEU     85 HD2*  1.79  6.33 	 # NoRestrctn I [2.29 6.01] -- intra 
  1384-> ALA    43 HB*  - VAL     44 HA    1.79  6.55 	 # NoRestrctn S [2.00 6.01] -- sequential
  1415-> ALA    55 HB*  - GLU     56 HA    1.80  7.02 	 # NoRestrctn S [2.00 6.01] -- sequential
  1423-> GLY    57 HN   - ALA     58 HB*   1.79  6.87 	 # NoRestrctn S [2.00 6.01] -- sequential
  1463-> LEU     6 HA   - LEU      6 HD2*  1.80  6.48 	 # NoRestrctn I [2.11 5.99] -- intra 
  1517-> ALA    77 HB*  - VAL     78 HA    1.79  6.01 	 # NoRestrctn S [2.00 6.01] -- sequential
  1716-> ILE   117 HN   - ALA    118 HB*   1.80  7.02 	 # NoRestrctn S [2.00 6.01] -- sequential
  1894-> GLU    26 HN   - GLU     26 HG*   1.80  6.88 	 # NoRestrctn I [2.29 6.01] -- intra 
  1901-> LYS    41 HB*  - PRO     42 HD*   1.79  6.71 	 # NoRestrctn S [2.00 5.99] -- sequential
 ====== TOTAL ======:  30

table of distance constraints violations


  Residual Violations greater than 0.10 

    4-> GLU      8 HN   - GLU      8 HB2  [ 1.80  3.48]  0.00  0.00  0.00  0.07  0.02  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.11  0.00  0.00  0.00  0.03 -   6 [ 0.02 ..  0.11]
   10-> GLU      8 HB3  - MET      9 HN   [ 1.80  3.98]  0.00  0.00  0.00  0.09  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.04  0.00  0.04  0.00  0.00  0.00  0.15 -   6 [ 0.00 ..  0.15]
   69-> GLU     18 HN   - GLU     18 HB3  [ 1.79  3.37]  0.07  0.00  0.15  0.14  0.14  0.18  0.17  0.12  0.18  0.07  0.16  0.17  0.14  0.12  0.16  0.15  0.15  0.17  0.07  0.00 -  18 [ 0.07 ..  0.18]
  118-> PHE     37 HN   - GLU     38 HN   [ 1.79  4.31]  0.00  0.00  0.00  0.00  0.21  0.03  0.00  0.00  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.24  0.00  0.00 -   4 [ 0.03 ..  0.24]
  134-> GLU     45 HN   - GLU     45 HB3  [ 1.80  3.48]  0.08  0.08  0.08  0.07  0.09  0.10  0.03  0.08  0.09  0.08  0.08  0.07  0.09  0.07  0.08  0.08  0.08  0.07  0.07  0.07 -  20 [ 0.03 ..  0.10]
  142-> GLU     46 HN   - GLU     46 HB3  [ 1.79  3.23]  0.28  0.00  0.28  0.17  0.00  0.28  0.00  0.26  0.24  0.27  0.27  0.00  0.25  0.28  0.28  0.28  0.27  0.29  0.00  0.28 -  15 [ 0.17 ..  0.29]
  147-> GLU     46 HB2  - ASN     47 HN   [ 1.80  3.12]  0.00  0.15  0.00  0.00  0.22  0.00  0.30  0.00  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.11  0.00 -   5 [ 0.11 ..  0.30]
  190-> ARG     53 HN   - ARG     53 HB3  [ 1.80  3.16]  0.00  0.00  0.02  0.16  0.00  0.00  0.06  0.00  0.00  0.00  0.29  0.27  0.00  0.00  0.30  0.27  0.00  0.11  0.03  0.05 -  10 [ 0.02 ..  0.30]
  209-> GLU     56 HN   - GLU     56 HB3  [ 1.79  3.23]  0.00  0.00  0.16  0.00  0.26  0.26  0.00  0.14  0.18  0.00  0.00  0.26  0.28  0.22  0.27  0.00  0.27  0.00  0.27  0.25 -  12 [ 0.14 ..  0.28]
  220-> LEU     59 HN   - LEU     59 HB3  [ 1.80  3.30]  0.19  0.22  0.20  0.19  0.20  0.18  0.21  0.20  0.19  0.20  0.20  0.19  0.21  0.20  0.20  0.22  0.20  0.20  0.20  0.19 -  20 [ 0.18 ..  0.22]
  288-> ILE     75 HA   - VAL     78 HN   [ 1.79  3.59]  0.01  0.03  0.01  0.00  0.00  0.03  0.05  0.03  0.07  0.04  0.00  0.00  0.00  0.10  0.06  0.06  0.00  0.00  0.00  0.10 -  12 [ 0.01 ..  0.10]
  304-> ASP     80 HN   - ASP     80 HB3  [ 1.80  3.12]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.31  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.28  0.00 -   2 [ 0.28 ..  0.31]
  391-> ASP    101 HN   - ASP    101 HB3  [ 1.80  3.30]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.00 -   1 [ 0.20 ..  0.20]
  395-> ASP    101 HB2  - ILE    102 HN   [ 1.80  3.70]  0.00  0.05  0.04  0.09  0.06  0.06  0.03  0.02  0.05  0.04  0.09  0.02  0.00  0.12  0.09  0.06  0.06  0.00  0.10  0.07 -  17 [ 0.02 ..  0.12]
  409-> ASP    101 HA   - SER    105 HN   [ 1.79  3.91]  0.06  0.03  0.03  0.02  0.01  0.04  0.10  0.05  0.04  0.00  0.01  0.06  0.05  0.06  0.00  0.00  0.00  0.00  0.00  0.00 -  14 [ 0.00 ..  0.10]
  414-> GLU    104 HB2  - SER    105 HN   [ 1.79  3.59]  0.00  0.00  0.06  0.00  0.00  0.00  0.07  0.10  0.08  0.07  0.00  0.00  0.10  0.00  0.12  0.00  0.09  0.00  0.00  0.00 -   8 [ 0.06 ..  0.12]
  525-> HIS     71 HN   - GLN     74 HB3  [ 1.79  3.77]  0.12  0.04  0.10  0.08  0.03  0.04  0.07  0.00  0.00  0.06  0.07  0.11  0.00  0.05  0.05  0.02  0.03  0.07  0.06  0.00 -  16 [ 0.02 ..  0.12]
  535-> VAL    113 HN   - LYS    114 HB3  [ 1.79  4.63]  0.10  0.06  0.12  0.00  0.12  0.05  0.07  0.13  0.06  0.10  0.08  0.07  0.04  0.05  0.10  0.03  0.06  0.03  0.09  0.09 -  19 [ 0.03 ..  0.13]
  536-> GLU    116 HN   - ARG    119 HB3  [ 1.80  4.74]  0.04  0.02  0.10  0.19  0.09  0.05  0.09  0.00  0.00  0.14  0.18  0.01  0.13  0.11  0.13  0.00  0.00  0.05  0.03  0.06 -  16 [ 0.01 ..  0.19]
  575-> ARG     53 HN   - ARG     53 HG3  [ 1.80  4.16]  0.19  0.13  0.10  0.00  0.20  0.18  0.00  0.23  0.00  0.23  0.00  0.00  0.20  0.15  0.00  0.00  0.20  0.03  0.08  0.02 -  14 [ 0.00 ..  0.23]
  606-> LEU     83 HN   - LEU     83 HG   [ 1.79  3.77]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00  0.00 -   1 [ 0.12 ..  0.12]
  636-> GLU    116 HN   - GLU    116 HG2  [ 1.79  4.45]  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00 -   2 [ 0.07 ..  0.10]
  651-> LEU      7 HG   - GLU     11 HN   [ 1.80  6.00]  0.10  0.09  0.00  0.00  0.00  0.00  0.00  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.08  0.00 -   5 [ 0.08 ..  0.15]
  771-> GLU      8 HA   - GLU     11 HB3  [ 1.80  3.80]  0.01  0.12  0.06  0.12  0.04  0.16  0.05  0.12  0.00  0.09  0.00  0.13  0.05  0.04  0.04  0.00  0.10  0.13  0.10  0.00 -  16 [ 0.01 ..  0.16]
  786-> GLU     15 HA   - GLU     18 HB3  [ 1.79  4.09]  0.04  0.00  0.11  0.05  0.00  0.06  0.01  0.04  0.02  0.07  0.07  0.08  0.07  0.02  0.00  0.01  0.05  0.02  0.00  0.00 -  15 [ 0.01 ..  0.11]
  796-> ASP     22 HA   - GLN     25 HB2  [ 1.80  3.80]  0.00  0.00  0.00  0.00  0.00  0.18  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.15 ..  0.18]
  804-> GLU     38 HA   - GLU     38 HB3  [ 1.79  2.83]  0.16  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.04  0.17  0.17  0.00 -   6 [ 0.04 ..  0.17]
  806-> GLU     38 HN   - GLU     38 HB2  [ 1.80  3.34]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.12  0.00 -   1 [ 0.12 ..  0.12]
  813-> GLU     46 HA   - GLU     46 HB3  [ 1.79  2.87]  0.00  0.11  0.00  0.00  0.12  0.00  0.13  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.09  0.00 -   5 [ 0.09 ..  0.13]
  818-> GLU     46 HB3  - ASN     47 HN   [ 1.79  3.23]  0.11  0.00  0.02  0.00  0.00  0.06  0.00  0.00  0.00  0.14  0.06  0.00  0.00  0.05  0.03  0.01  0.09  0.00  0.00  0.03 -  11 [ 0.00 ..  0.14]
  830-> LEU     50 HA   - ARG     53 HB3  [ 1.79  4.13]  0.00  0.00  0.00  0.09  0.00  0.00  0.09  0.00  0.00  0.00  0.11  0.06  0.00  0.00  0.05  0.09  0.00  0.04  0.00  0.00 -   7 [ 0.04 ..  0.11]
  840-> ARG     53 HA   - GLU     56 HB3  [ 1.80  3.98]  0.00  0.00  0.01  0.00  0.06  0.03  0.00  0.00  0.11  0.00  0.00  0.08  0.02  0.05  0.05  0.00  0.03  0.00  0.03  0.06 -  11 [ 0.01 ..  0.11]
  885-> ASP    101 HA   - GLU    104 HB3  [ 1.79  3.77]  0.13  0.10  0.00  0.10  0.14  0.06  0.00  0.00  0.00  0.00  0.16  0.00  0.00  0.02  0.00  0.10  0.00  0.13  0.16  0.13 -  11 [ 0.02 ..  0.16]
  916-> GLU    116 HA   - ARG    119 HB2  [ 1.79  3.37]  0.00  0.00  0.00  0.11  0.11  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.11 ..  0.11]
  921-> GLU    120 HA   - GLU    120 HB3  [ 1.79  2.87]  0.14  0.00  0.14  0.00  0.09  0.00  0.00  0.00  0.09  0.13  0.00  0.00  0.00  0.00  0.00  0.05  0.00  0.14  0.00  0.00 -   7 [ 0.05 ..  0.14]
  932-> GLU    120 HA   - GLU    120 HB2  [ 1.79  2.87]  0.00  0.13  0.00  0.12  0.00  0.13  0.09  0.00  0.00  0.00  0.13  0.13  0.14  0.07  0.13  0.00  0.07  0.00  0.13  0.14 -  12 [ 0.07 ..  0.14]
  943-> GLU     15 HA   - GLU     15 HG2  [ 1.79  3.55]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.20  0.00  0.00  0.17  0.15  0.00  0.00  0.00  0.00  0.00  0.12 -   5 [ 0.12 ..  0.20]
  949-> GLU     18 HN   - GLU     18 HG3  [ 1.80  3.88]  0.05  0.36  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.29 -   3 [ 0.05 ..  0.36]
  952-> LYS     19 HN   - LYS     19 HG2  [ 1.80  4.34]  0.00  0.00  0.00  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.20  0.00  0.13  0.01  0.00  0.00  0.00 -   4 [ 0.01 ..  0.20]
  954-> LYS     19 HN   - LYS     19 HG3  [ 1.80  4.34]  0.00  0.00  0.00  0.00  0.13  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.01  0.00  0.00  0.03  0.00  0.00  0.00 -   3 [ 0.01 ..  0.13]
  962-> GLU     38 HN   - GLU     38 HG2  [ 1.79  4.63]  0.00  0.00  0.00  0.00  0.17  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.17  0.03  0.00 -   4 [ 0.03 ..  0.17]
  964-> GLU     38 HN   - GLU     38 HG3  [ 1.79  4.63]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.13  0.00 -   1 [ 0.13 ..  0.13]
  965-> GLU     38 HA   - GLU     38 HG3  [ 1.80  3.66]  0.00  0.00  0.00  0.01  0.00  0.04  0.01  0.04  0.02  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.02 -   7 [ 0.01 ..  0.10]
  969-> GLU     45 HA   - GLU     45 HG3  [ 1.79  3.59]  0.06  0.11  0.00  0.00  0.00  0.08  0.00  0.00  0.00  0.10  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.06 ..  0.14]
  976-> GLU     49 HN   - GLU     49 HG3  [ 1.80  3.48]  0.06  0.09  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00  0.23  0.05  0.01  0.06  0.00  0.00  0.09  0.00  0.03  0.00 -   9 [ 0.01 ..  0.23]
  977-> GLU     49 HA   - GLU     49 HG3  [ 1.79  3.55]  0.14  0.15  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.16  0.03  0.17  0.17  0.13  0.00  0.00  0.13  0.00  0.19  0.00 -   9 [ 0.03 ..  0.19]
  979-> ARG     53 HN   - ARG     53 HG2  [ 1.80  4.16]  0.28  0.00  0.00  0.00  0.01  0.00  0.13  0.05  0.26  0.00  0.00  0.00  0.03  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   6 [ 0.01 ..  0.28]
  984-> GLU     56 HN   - GLU     56 HG2  [ 1.80  3.98]  0.00  0.37  0.00  0.32  0.00  0.00  0.26  0.00  0.00  0.25  0.36  0.00  0.00  0.00  0.00  0.32  0.00  0.37  0.00  0.00 -   7 [ 0.25 ..  0.37]
  986-> GLU     56 HN   - GLU     56 HG3  [ 1.80  3.98]  0.10  0.19  0.00  0.28  0.00  0.00  0.32  0.03  0.00  0.36  0.16  0.00  0.00  0.00  0.00  0.26  0.00  0.15  0.00  0.00 -   9 [ 0.03 ..  0.36]
  987-> GLU     56 HA   - GLU     56 HG3  [ 1.80  3.48]  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.09  0.11  0.00  0.00  0.00  0.18  0.15  0.00  0.00  0.00  0.00  0.00  0.00 -   5 [ 0.09 ..  0.18]
  999-> LYS     63 HN   - LYS     63 HD3  [ 1.79  5.39]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.29  0.00  0.00  0.00  0.00 -   1 [ 0.29 ..  0.29]
 1008-> GLU     73 HA   - GLU     73 HG3  [ 1.80  3.62]  0.00  0.00  0.00  0.00  0.00  0.10  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.05  0.00  0.00  0.00  0.00  0.00  0.00 -   2 [ 0.05 ..  0.10]
 1041-> GLU    104 HN   - GLU    104 HG2  [ 1.80  4.34]  0.00  0.00  0.13  0.00  0.00  0.00  0.11  0.09  0.13  0.09  0.00  0.00  0.09  0.00  0.07  0.00  0.09  0.00  0.00  0.00 -   8 [ 0.07 ..  0.13]
 1099-> LYS     68 HA   - LYS     68 HG3  [ 1.79  4.09]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.14  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.14 ..  0.14]
 1401-> GLU     46 HB2  - LEU     50 HD1* [ 1.80  5.58]  0.07  0.09  0.07  0.07  0.07  0.06  0.07  0.05  0.04  0.06  0.08  0.03  0.00  0.08  0.05  0.06  0.00  0.08  0.12  0.06 -  18 [ 0.03 ..  0.12]
 1584-> VAL     91 HG1* - HIS     92 HD2  [ 1.80  7.02]  0.00  0.00  0.00  0.06  0.00  0.00  0.00  0.00  0.08  0.00  0.10  0.00  0.09  0.02  0.00  0.03  0.05  0.00  0.00  0.00 -   8 [ 0.00 ..  0.10]
 1963-> LYS     63 HD*  - VAL     64 HG1* [ 1.79  5.85]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.09  0.00  0.10  0.00  0.00  0.01  0.00  0.00  0.00  0.00  0.10  0.00  0.00 -   4 [ 0.01 ..  0.10]
 2112-> GLU     60 O    - VAL     64 HN   [ 1.80  2.30]  0.00  0.11  0.03  0.06  0.00  0.00  0.00  0.03  0.00  0.05  0.02  0.01  0.00  0.00  0.00  0.00  0.00  0.07  0.09  0.03 -  10 [ 0.01 ..  0.11]
 2160-> GLU    116 O    - GLU    120 HN   [ 1.80  2.30]  0.00  0.02  0.07  0.00  0.00  0.05  0.01  0.16  0.06  0.00  0.04  0.00  0.00  0.08  0.01  0.00  0.00  0.00  0.00  0.00 -   9 [ 0.01 ..  0.16]
   -------------------------------------------  
       Number of Violations greater than 0.10              11    12    10    10    14    10    10    10     9    12    12    11    11    14     8    10     6    16    12     8
   -------------------------------------------  

        ----  Summary Of Residual Distance Constraint Violations ---- 
                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:      9      9      8      8      9      8      6      7      6      6      7      9      7     11      4      4      3     11      9      5         7.30
      0.2 - 0.5  ang:      2      3      2      2      5      2      4      3      3      6      5      2      4      3      4      6      3      5      3      3         3.50
        > 0.5    ang:      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0         0.00
        Total       :     76     73     83     86     84     89     85     76     76     86     89     83     86     94     82     90     91     85     90     81        84.25
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  :  0.283  0.369  0.282  0.317  0.261  0.282  0.317  0.258  0.313  0.365  0.360  0.269  0.277  0.281  0.298  0.319  0.267  0.372  0.277  0.286        0.372
    Max  Intra Viol :  0.283  0.369  0.282  0.317  0.261  0.282  0.317  0.258  0.313  0.365  0.360  0.269  0.277  0.281  0.298  0.319  0.267  0.372  0.277  0.286        0.372
    Max  Seque Viol :  0.105  0.150  0.123  0.093  0.225  0.074  0.297  0.131  0.080  0.145  0.102  0.168  0.095  0.122  0.115  0.083  0.091  0.245  0.114  0.149        0.297
    Max Medium Viol :  0.133  0.123  0.110  0.195  0.136  0.179  0.148  0.157  0.112  0.137  0.182  0.130  0.132  0.112  0.126  0.101  0.096  0.127  0.163  0.131        0.195
    Max   Long Viol :  0.047  0.050  0.054  0.057  0.041  0.062  0.068  0.052  0.081  0.064  0.097  0.065  0.061  0.066  0.055  0.074  0.061  0.047  0.068  0.064        0.097
 Average Violation  :  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002  0.002      0.00204
    Avge Intra Viol :  0.004  0.005  0.004  0.004  0.004  0.004  0.004  0.004  0.005  0.006  0.005  0.004  0.005  0.005  0.004  0.006  0.004  0.006  0.005  0.004      0.00462
    Avge Seque Viol :  0.003  0.003  0.003  0.004  0.003  0.003  0.002  0.003  0.002  0.003  0.003  0.003  0.002  0.003  0.003  0.003  0.002  0.003  0.003  0.003      0.00290
    Avge Mediu Viol :  0.000  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001      0.00085
    Avge  Long Viol :  0.001  0.000  0.000  0.000  0.000  0.001  0.000  0.000  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001  0.001      0.00057
 RMS     Violation  :  0.015  0.017  0.013  0.016  0.015  0.015  0.016  0.014  0.015  0.017  0.017  0.015  0.015  0.015  0.015  0.017  0.014  0.018  0.016  0.014      0.01550
   RMS   Intra      :  0.028  0.032  0.024  0.027  0.025  0.026  0.027  0.024  0.030  0.033  0.033  0.027  0.030  0.029  0.028  0.035  0.026  0.033  0.028  0.026      0.02877
   RMS   Sequential :  0.014  0.014  0.012  0.017  0.013  0.015  0.012  0.015  0.011  0.014  0.016  0.014  0.012  0.012  0.014  0.011  0.011  0.013  0.015  0.012      0.01348
   RMS Medium range :  0.006  0.007  0.008  0.008  0.014  0.006  0.013  0.008  0.007  0.010  0.008  0.007  0.007  0.007  0.009  0.006  0.007  0.011  0.009  0.008      0.00846
   RMS  Long range  :  0.005  0.003  0.004  0.004  0.003  0.005  0.004  0.003  0.006  0.005  0.006  0.006  0.004  0.005  0.005  0.005  0.006  0.006  0.005  0.005      0.00477


 Final --global-- Summary for 20 models, 2161 NOEs/model, 43220 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :     87.955
    Summ sq. viol :     10.384
     Maximum viol :      0.372
     Average viol :    0.00204
        RMSD viol :    0.01550
   Std. Dev. viol :    0.01537
      RMS   Intra :    0.02877 
      RMS   Seque :    0.01348 
      RMS   Medi  :    0.00846 
      RMS   Long  :    0.00477

table of dihedral angle constraints violations

   36-> [TYR  A  24] PSI    -55.0  -35.0    1.3    0.0    0.0    0.1    0.2    2.5    0.5    0.0    0.0    0.0    0.3    0.4    0.5    0.3    0.0    0.0    0.0    0.0    0.0    0.0 -   9 [   0.0 ..    2.5] 
   38-> [GLN  A  25] PSI    -53.0  -27.0    0.0    0.0    0.0    0.3    0.0    0.0    2.2    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.3    0.0 -   4 [   0.0 ..    2.2] 
   48-> [GLU  A  46] PSI    -59.0  -31.0    0.0    0.7    0.0    0.0    0.9    0.0    2.3    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   4 [   0.0 ..    2.3] 
   77-> [LYS  A  63] PHI    -81.0  -55.0    0.1    0.0    0.0    1.1    0.8    0.9    2.2    2.5    1.0    0.4    2.1    0.8    0.0    0.9    1.6    0.0    0.8    1.1    2.2    1.1 -  16 [   0.0 ..    2.5] 
   78-> [LYS  A  63] PSI    -49.0  -21.0    0.0    0.0    0.0    0.4    0.0    0.0    0.9    0.0    1.4    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    1.4] 
   92-> [LYS  A  79] PSI    -53.0  -29.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    1.3    0.0    0.0    0.0    0.0    0.0    0.1    0.0    0.0    0.4    1.1    0.0 -   4 [   0.0 ..    1.3] 
   93-> [ASP  A  80] PHI    -77.0  -51.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.3    0.0    0.0    0.0    0.0    0.2    0.1    1.2    0.0    0.5    0.0    1.0    0.0 -   6 [   0.0 ..    1.2] 
  104-> [LEU  A  85] PSI    -53.0  -29.0    0.2    0.0    0.0    0.0    0.0    0.0    1.1    0.0    0.4    0.0    0.0    0.0    0.3    0.0    0.0    0.3    0.0    0.0    0.0    0.0 -   5 [   0.0 ..    1.1] 
  144-> [ALA  A 112] PSI    -49.0  -29.0    0.0    0.0    0.0    0.0    0.3    0.0    0.4    0.0    0.0    0.0    0.4    0.0    0.0    0.0    0.1    1.7    0.0    0.0    0.0    0.0 -   6 [   0.0 ..    1.7] 
  150-> [ASP  A 115] PSI    -51.0  -31.0    0.8    0.0    0.0    0.0    0.0    0.0    0.2    1.9    0.0    0.0    0.0    0.0    1.3    0.2    0.0    0.0    0.0    0.0    0.0    0.0 -   5 [   0.0 ..    1.9] 
  152-> [GLU  A 116] PSI    -53.0  -27.0    0.2    0.0    0.0    0.4    0.0    0.0    0.0    0.0    1.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0 -   3 [   0.0 ..    1.0] 

    ----  ACOSummary Of Residual ACO Constraint Violations ---- 

                      Mod  1 Mod  2 Mod  3 Mod  4 Mod  5 Mod  6 Mod  7 Mod  8 Mod  9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      1      0      0      1      0      1      4      2      3      0      1      0      1      0      2      1      0      1      3      1          1.10
   > 10.  degrees   :      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0      0          0.00
        Total       :     12      5      4     12     10      7     12      8      8      5      5      4      8      8     11      5      9     10     10      3          7.80
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :    1.3    0.9    0.5    1.1    0.9    2.5    2.3    2.5    1.4    0.7    2.1    0.8    1.3    0.9    1.6    1.7    0.8    1.1    2.2    1.1          2.47
     Max   PHI Viol :    0.5    0.1    0.4    1.1    0.8    0.9    2.2    2.5    1.0    0.7    2.1    0.8    0.5    0.9    1.6    0.4    0.8    1.1    2.2    1.1          2.47
     Max   PSI Viol :    1.3    0.9    0.5    0.4    0.9    2.5    2.3    1.9    1.4    0.2    0.9    0.6    1.3    0.3    0.2    1.7    0.4    1.0    1.1    0.0          2.45
 Average Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.1    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0         0.024
     Avge  PHI Viol :  0.101  0.047  0.074  0.157  0.142  0.124  0.158  0.207  0.124  0.117  0.153  0.121  0.108  0.158  0.223  0.068  0.161  0.160  0.219  0.138         0.145
     Avge  PSI Viol :  0.213  0.148  0.089  0.154  0.183  0.214  0.318  0.207  0.225  0.054  0.148  0.109  0.200  0.097  0.098  0.180  0.090  0.144  0.174  0.015         0.167
 RMS     Violation  :  0.143  0.088  0.054  0.115  0.132  0.213  0.322  0.258  0.185  0.062  0.179  0.092  0.135  0.102  0.170  0.139  0.094  0.127  0.217  0.095         0.160
      RMS  PHI Viol :  0.056  0.016  0.047  0.137  0.110  0.103  0.230  0.277  0.111  0.082  0.223  0.101  0.068  0.135  0.233  0.044  0.120  0.135  0.262  0.132         0.151
      RMS  PSI Viol :  0.198  0.126  0.061  0.086  0.153  0.288  0.398  0.235  0.241  0.027  0.113  0.080  0.182  0.046  0.040  0.195  0.053  0.118  0.154  0.002         0.170


 Final --global-- Summary for 20 models, 175 ACOs/model, 3500 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :      85.52
  Summ. Sq. Viol. :      89.99
      Max.  Viol. :      2.475
      Avg.  Viol. :    0.02443
      RMS   Viol. :    0.16034
  Std. Dev. Viol. :    0.15847

JPEG image for inter-residue distance constraints per residue plot

S(phi)|S(psi) V/S Residue number

Text output from PDBStat of phi psi order


#     CHAIN                                                              .GT.  SUM.GT.
#  RES  ID DIH  S(phi)  S(psi)  S(chi1) S(chi2) S(chi3) S(chi4) S(chi5)  0.90     1.6 
#  ----------------------------------------------------------------------------------- 
   MET  A   1           0.601   0.439   0.375   0.346                                
   LEU  A   2   0.672   0.680   0.430   0.390                                        
   SER  A   3   0.519   0.639   0.475                                                
   GLN  A   4   0.571   0.461   0.552   0.246   0.518                                
   THR  A   5   0.401   0.312   0.568                                                
   LEU  A   6   0.637   0.966   0.999   0.999                                        
   LEU  A   7   0.995   0.994   0.937   0.647                               7        7 
   GLU  A   8   0.996   0.996   0.123   0.336   0.324                       8        8 
   MET  A   9   0.998   0.997   0.650   0.869   0.782                       9        9 
   THR  A  10   0.999   0.998   0.999                                      10       10 
   GLU  A  11   0.999   0.998   0.991   0.863   0.281                      11       11 
   GLN  A  12   0.999   0.999   0.954   0.303   0.851                      12       12 
   MET  A  13   0.999   0.999   0.638   0.937   0.467                      13       13 
   ILE  A  14   0.999   0.999   0.999   0.867                              14       14 
   GLU  A  15   0.998   0.998   0.996   0.675   0.631                      15       15 
   VAL  A  16   1.000   0.999   0.998                                      16       16 
   ALA  A  17   0.998   0.999                                              17       17 
   GLU  A  18   0.998   0.995   0.933   0.678   0.501                      18       18 
   LYS  A  19   0.996   0.985   0.917   0.382   0.636   0.210              19       19 
   GLY  A  20   0.999   0.998                                              20       20 
   ALA  A  21   0.998   0.998                                              21       21 
   ASP  A  22   0.995   0.997   0.930   0.648                              22       22 
   ARG  A  23   0.998   0.997   0.975   0.444   0.381   0.798   0.997      23       23 
   TYR  A  24   0.997   0.999   0.983   0.895                              24       24 
   GLN  A  25   0.998   0.988   0.733   0.619   0.329                      25       25 
   GLU  A  26   0.992   0.979   0.619   0.387   0.348                      26       26 
   GLY  A  27   0.361   0.224                                                        
   LYS  A  28   0.571   0.399   0.165   0.518   0.564   0.379                        
   ASN  A  29   0.709   0.219   0.445   0.435                                        
   SER  A  30   0.641   0.392   0.286                                                
   ASN  A  31   0.673   0.296   0.389   0.229                                        
   HIS  A  32   0.754   0.537   0.339   0.393                                        
   SER  A  33   0.466   0.431   0.529                                                
   TYR  A  34   0.567   0.328   0.219   0.279                                        
   ASP  A  35   0.603   0.515   0.653   0.417                                        
   PHE  A  36   0.128   0.352   0.741   0.609                                        
   PHE  A  37   0.451   0.551   0.456   0.227                                        
   GLU  A  38   0.646   0.948   0.693   0.486   0.299                                
   THR  A  39   0.964   0.968   0.201                                      39       39 
   ILE  A  40   0.986   0.714   0.996   0.512                                        
   LYS  A  41   0.701   0.998   0.803   0.440   0.664   0.375                        
   PRO  A  42   0.994   0.986   0.943   0.858                              42       42 
   ALA  A  43   0.995   0.996                                              43       43 
   VAL  A  44   0.999   0.996   0.999                                      44       44 
   GLU  A  45   0.996   0.998   0.994   0.464   0.322                      45       45 
   GLU  A  46   0.998   0.997   0.799   0.533   0.237                      46       46 
   ASN  A  47   0.997   0.993   0.997   0.318                              47       47 
   ASP  A  48   0.998   0.998   0.995   0.708                              48       48 
   GLU  A  49   0.995   0.993   0.981   0.671   0.349                      49       49 
   LEU  A  50   0.999   1.000   0.975   0.997                              50       50 
   ALA  A  51   0.998   0.997                                              51       51 
   ALA  A  52   0.999   0.995                                              52       52 
   ARG  A  53   0.997   0.997   0.893   0.780   0.748   0.851   0.996      53       53 
   TRP  A  54   0.999   0.999   0.999   0.999                              54       54 
   ALA  A  55   1.000   0.999                                              55       55 
   GLU  A  56   1.000   0.997   0.712   0.666   0.266                      56       56 
   GLY  A  57   0.998   0.999                                              57       57 
   ALA  A  58   0.999   0.999                                              58       58 
   LEU  A  59   0.999   0.999   0.999   1.000                              59       59 
   GLU  A  60   0.997   0.997   0.991   0.999   0.552                      60       60 
   LEU  A  61   0.999   0.997   0.731   0.319                              61       61 
   ILE  A  62   0.998   0.988   0.998   1.000                              62       62 
   LYS  A  63   1.000   0.987   0.576   0.359   0.621   0.271              63       63 
   VAL  A  64   0.989   0.996   0.998                                      64       64 
   ARG  A  65   0.952   0.524   0.407   0.644   0.292   0.607   0.998                
   ARG  A  66   0.552   0.967   0.738   0.519   0.455   0.828   0.998                
   PRO  A  67   0.986   0.741   0.945   0.892                                        
   LYS  A  68   0.752   0.587   0.477   0.443   0.531   0.138                        
   TYR  A  69   0.575   0.986   0.986   0.801                                        
   VAL  A  70   0.980   0.992   0.998                                      70       70 
   HIS  A  71   0.976   0.986   0.758   0.587                              71       71 
   LYS  A  72   0.998   0.993   0.419   0.748   0.244   0.370              72       72 
   GLU  A  73   0.997   0.994   0.576   0.581   0.243                      73       73 
   GLN  A  74   0.997   0.997   0.942   0.611   0.475                      74       74 
   ILE  A  75   0.999   0.999   0.997   0.653                              75       75 
   GLU  A  76   0.997   0.997   0.995   0.709   0.384                      76       76 
   ALA  A  77   0.997   0.995                                              77       77 
   VAL  A  78   0.998   0.999   0.999                                      78       78 
   LYS  A  79   0.999   0.998   0.993   0.814   0.864   0.861              79       79 
   ASP  A  80   0.996   0.997   0.899   0.735                              80       80 
   ASN  A  81   0.997   0.997   0.996   0.757                              81       81 
   PHE  A  82   0.999   0.996   0.998   0.994                              82       82 
   LEU  A  83   0.999   0.998   0.996   0.923                              83       83 
   GLU  A  84   0.997   0.995   0.602   0.125   0.255                      84       84 
   LEU  A  85   0.999   0.999   0.994   0.997                              85       85 
   VAL  A  86   0.999   0.999   1.000                                      86       86 
   LEU  A  87   0.998   0.996   0.999   1.000                              87       87 
   GLN  A  88   0.988   0.977   0.446   0.515   0.285                      88       88 
   SER  A  89   0.997   0.986   0.615                                      89       89 
   TYR  A  90   0.979   0.991   0.995   0.984                              90       90 
   VAL  A  91   0.996   0.990   0.998                                      91       91 
   HIS  A  92   0.995   0.944   0.926   0.805                              92       92 
   HIS  A  93   0.973   0.832   0.490   0.624                                       93 
   ILE  A  94   0.904   0.845   0.442   0.559                                       94 
   HIS  A  95   0.864   0.253   0.634   0.230                                        
   LYS  A  96   0.496   0.900   0.506   0.540   0.503   0.415                        
   LYS  A  97   0.995   0.987   0.477   0.588   0.606   0.577              97       97 
   ARG  A  98   0.990   0.991   0.661   0.491   0.259   0.865   0.998      98       98 
   PHE  A  99   0.998   0.997   0.995   0.602                              99       99 
   LYS  A 100   0.998   0.993   0.692   0.378   0.707   0.335             100      100 
   ASP  A 101   0.997   0.997   0.938   0.253                             101      101 
   ILE  A 102   1.000   0.999   0.999   0.999                             102      102 
   THR  A 103   0.999   0.999   1.000                                     103      103 
   GLU  A 104   0.999   0.997   0.688   0.524   0.392                     104      104 
   SER  A 105   0.998   0.999   0.526                                     105      105 
   VAL  A 106   0.999   0.999   0.999                                     106      106 
   LEU  A 107   0.999   0.998   0.987   0.659                             107      107 
   TYR  A 108   0.999   0.998   0.987   0.890                             108      108 
   THR  A 109   0.998   0.999   0.999                                     109      109 
   LEU  A 110   1.000   0.999   0.999   0.999                             110      110 
   HIS  A 111   0.998   0.998   0.987   0.772                             111      111 
   ALA  A 112   0.999   0.997                                             112      112 
   VAL  A 113   0.997   0.997   1.000                                     113      113 
   LYS  A 114   0.999   0.998   0.992   0.624   0.560   0.327             114      114 
   ASP  A 115   0.998   0.995   0.987   0.579                             115      115 
   GLU  A 116   0.996   0.992   0.649   0.452   0.485                     116      116 
   ILE  A 117   0.999   0.998   0.999   0.999                             117      117 
   ALA  A 118   0.994   0.991                                             118      118 
   ARG  A 119   0.984   0.950   0.972   0.661   0.453   0.547   0.998     119      119 
   GLU  A 120   0.985   0.968   0.590   0.266   0.354                     120      120 
   ASP  A 121   0.229   0.583   0.848   0.630                                        
   SER  A 122   0.854   0.339   0.461                                                
   ARG  A 123   0.578           0.299   0.461   0.406   0.735   0.998

JPEG image of S(phi)~Residue_number Plot

JPEG image of S(psi)~Residue_number Plot

Table of Backbone and Heavy Atom RMSD

Text report of backbone and heavy atom RMSD for ordered regions

 > 
 > Kabsch RMSD data for family `SR213_NMR_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  1 is: 0.564
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  2 is: 0.502
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  3 is: 0.632
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  4 is: 0.615
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  5 is: 0.599
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  6 is: 0.507
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  7 is: 0.543
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  8 is: 0.649
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  9 is: 0.658
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 10 is: 0.566
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 11 is: 0.693
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 12 is: 0.629
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 13 is: 0.513
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 14 is: 0.579
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 15 is: 0.579
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 16 is: 0.582
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 17 is: 0.661
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 18 is: 0.625
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 19 is: 0.544
 > Kabsch RMSD of backbone atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 20 is: 0.469 (*)
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[7..26],[42..64],[70..92],[97..120], is: 0.585 
 > Range of RMSD values to reference struct. is 0.469 to 0.693 


 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  1 is: 1.041
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  2 is: 0.963 (*)
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  3 is: 1.000
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  4 is: 1.043
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  5 is: 1.028
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  6 is: 1.063
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  7 is: 1.060
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  8 is: 1.203
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model  9 is: 1.149
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 10 is: 1.134
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 11 is: 1.241
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 12 is: 1.115
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 13 is: 1.138
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 14 is: 1.182
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 15 is: 1.079
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 16 is: 1.088
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 17 is: 1.095
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 18 is: 1.119
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 19 is: 1.067
 > Kabsch RMSD of heavy atoms in res. A[7..26],A[42..64],A[70..92],A[97..120],for model 20 is: 1.071
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[7..26],[42..64],[70..92],[97..120], is: 1.094 
 > Range of RMSD values to reference struct. is 0.963 to 1.241

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..123],for model  1 is: 1.496
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  2 is: 1.627
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  3 is: 1.604
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  4 is: 1.613
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  5 is: 1.435
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  6 is: 2.531
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  7 is: 1.777
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  8 is: 1.413
 > Kabsch RMSD of backb atoms in res. *[1..123],for model  9 is: 2.177
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 10 is: 1.492
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 11 is: 2.542
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 12 is: 1.785
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 13 is: 1.293
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 14 is: 1.594
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 15 is: 2.306
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 16 is: 1.208 (*)
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 17 is: 1.555
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 18 is: 1.336
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 19 is: 1.652
 > Kabsch RMSD of backb atoms in res. *[1..123],for model 20 is: 1.276
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..123], is: 1.686 
 > Range of RMSD values to reference struct. is 1.208 to 2.542

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  1 is: 2.057
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  2 is: 2.075
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  3 is: 2.004
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  4 is: 2.052
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  5 is: 1.926 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  6 is: 2.856
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  7 is: 2.240
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  8 is: 2.074
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model  9 is: 2.551
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 10 is: 2.118
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 11 is: 2.886
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 12 is: 2.255
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 13 is: 2.035
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 14 is: 2.196
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 15 is: 2.788
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 16 is: 1.959
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 17 is: 2.048
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 18 is: 1.929
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 19 is: 2.177
 > Kabsch RMSD of heavy atoms in res. *[1..123],for model 20 is: 1.979
 >
 > Kabsch RMSD statistics for 20 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..123], is: 2.210 
 > Range of RMSD values to reference struct. is 1.926 to 2.886

Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues

RMSD Values
	all residues	ordered residues	selected residues
All backbone atoms	1.7	0.6	0.6
All heavy atoms	2.2	1.1	1.1

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

SR213_NMR_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

SR213_NMR_em_bcr3.pdb.jpg

Output from PROCHECK

Ramachandran Plot for all models

Text summary of Ramachandran Plot


 +----------<<<  P  R  O  C  H  E  C  K     S  U  M  M  A  R  Y  >>>----------+
 |                                                                            |
 | SR213_NMR_em_bcr3_020.rin   0.0                              1820 residues |
 |                                                                            |
 | Ramachandran plot:   98.1% core    1.9% allow    0.0% gener    0.0% disall |
 |                                                                            |
+| All Ramachandrans:    8 labelled residues (out of1820)                     |
+| Chi1-chi2 plots:     11 labelled residues (out of1280)                     |

JPEG image for all model Ramachandran Plot

Residue Properties for all models

JPEG for all model Residue Properties - page $num_n

Model Secondary Structures from Procheck

JPEG for Model Secondary Structures - page $num_n

Ramachandran Plots for each residue

JPEG for residue Ramachandran Plots - page $num_n

Ramachandran analysis for each residue from Molprobity

Chi1-Chi2 Plots for each residue

JPEG for residue Chi1-Chi2 Plots - page $num_n

Procheck G-factors for phi-psi for each residue

JPEG image for residue phi-psi G-factors

Table of Procheck G-factors for phi-psi for ordered residues

#phipsi_gfactor
#Residue\Model	average
7	0.58
8	0.84
9	0.92
10	1.00
11	0.79
12	1.07
13	1.04
14	0.92
15	0.95
16	0.97
17	0.68
18	0.75
19	0.76
20	1.01
21	0.82
22	1.10
23	0.94
24	0.87
25	0.79
26	0.25
42	-0.73
43	0.73
44	0.86
45	0.84
46	0.28
47	1.04
48	0.68
49	0.84
50	0.44
51	0.83
52	0.47
53	0.88
54	1.07
55	0.76
56	0.85
57	0.87
58	0.91
59	1.02
60	0.76
61	0.99
62	-0.69
63	-0.01
64	-0.44
70	-1.13
71	-0.38
72	0.97
73	0.74
74	0.90
75	0.88
76	0.75
77	0.46
78	0.81
79	0.77
80	0.58
81	1.10
82	1.12
83	1.05
84	0.90
85	0.65
86	0.89
87	0.65
88	0.18
89	0.86
90	-0.91
91	-0.93
92	-1.21
93	-1.14
97	0.76
98	0.62
99	1.05
100	0.96
101	1.01
102	0.90
103	0.95
104	0.90
105	0.99
106	0.46
107	0.95
108	1.09
109	1.10
110	1.04
111	1.21
112	0.77
113	0.68
114	1.04
115	0.98
116	0.79
117	0.89
118	0.02
119	-0.07
120	-0.21
#Reported_Model_Average	0.635
#Overall_Average_Reported	0.635

Procheck G-factors for all dihedral angles for each residue

JPEG image for residue all dihedral G-factors

Table of Procheck G-factors for all dihedrals for ordered residues

#alldih_gfactor
#Residue\Model	average
7	0.09
8	0.22
9	0.53
10	0.50
11	0.63
12	0.53
13	0.78
14	0.73
15	0.66
16	0.83
17	0.68
18	0.36
19	0.16
20	1.01
21	0.82
22	0.14
23	-0.08
24	0.54
25	0.32
26	0.17
42	-0.73
43	0.73
44	0.72
45	0.72
46	0.12
47	0.67
48	-0.03
49	0.63
50	-0.33
51	0.83
52	0.47
53	-0.64
54	0.78
55	0.76
56	0.56
57	0.87
58	0.91
59	0.80
60	0.13
61	0.11
62	-0.36
63	-0.82
64	0.10
70	-1.08
71	-0.26
72	0.30
73	0.48
74	0.69
75	0.54
76	0.77
77	0.46
78	0.71
79	0.30
80	-0.13
81	0.63
82	0.69
83	0.86
84	0.47
85	-0.26
86	0.68
87	0.57
88	-0.09
89	0.32
90	-0.29
91	-0.74
92	-0.71
93	-0.92
97	0.44
98	0.18
99	0.71
100	0.22
101	0.04
102	0.79
103	0.64
104	0.63
105	0.45
106	0.58
107	0.53
108	0.61
109	0.65
110	0.96
111	0.35
112	0.77
113	0.55
114	0.08
115	0.04
116	0.50
117	0.82
118	0.02
119	-0.09
120	-0.25
#Reported_Model_Average	0.339
#Overall_Average_Reported	0.339

Output from Verify3D

Verify3D Score over a window of $winsize_s residues

JPEG image for Verify3D Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
7	0.71	0.16	-0.46	0.16	0.71	-0.46	0.71	0.71	-0.30	0.16	-0.30	-0.30	-0.46	0.16	-0.30	1.30	0.16	-0.30	0.71	1.30
8	0.60	-0.43	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.60	0.62	0.60	0.60	-0.43
9	1.02	0.87	0.87	1.02	0.87	1.02	0.87	1.02	1.02	1.02	1.02	1.02	1.02	0.87	1.02	1.02	0.87	1.02	0.87	0.87
10	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
11	0.62	0.62	-0.43	0.62	0.62	-0.43	-2.15	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62
12	0.62	0.62	0.62	0.62	-0.32	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62
13	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26
14	-0.02	-0.02	-0.02	-0.02	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	-0.02	0.55	0.55	0.55
15	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62
16	0.30	-0.62	0.30	0.30	0.30	0.30	0.30	0.30	-0.62	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	-0.62
17	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
18	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
19	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
20	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
21	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
22	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.44	0.44	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.44
23	0.56	0.56	1.10	1.10	0.56	1.10	0.56	1.10	0.56	1.10	1.10	0.56	0.56	0.56	1.10	0.56	-0.20	1.10	1.10	0.56
24	0.50	0.50	0.86	0.50	0.50	0.50	0.86	0.50	0.86	-0.55	0.86	0.50	0.50	0.86	-0.55	0.86	0.50	0.86	0.50	0.86
25	0.62	0.29	0.62	0.29	0.29	0.62	0.62	0.29	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.29	0.62
26	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62
42	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
43	0.44	0.44	0.44	0.44	-0.02	-0.02	-0.02	0.44	-0.02	0.44	0.44	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
44	-0.62	-0.62	0.30	-0.62	-0.62	-0.62	-0.62	0.30	0.30	0.30	-0.62	-0.62	0.30	-0.62	-0.62	0.30	0.30	0.30	-0.62	0.30
45	0.62	0.62	0.60	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62
46	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.60	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.60
47	-0.58	-0.58	-0.58	-1.76	-1.76	-0.58	-1.76	-0.58	-1.76	-0.58	-0.58	-0.58	-1.76	-1.76	-0.58	-1.76	-0.58	-0.58	-0.58	-1.76
48	0.29	0.29	0.29	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.44	0.44	0.29	0.44	0.29	0.29	0.44
49	0.60	0.62	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.60	0.60
50	0.71	0.16	0.16	0.71	0.16	0.71	0.16	0.71	0.16	0.71	0.71	0.16	0.16	0.71	0.71	0.71	-0.30	-0.30	0.16	0.16
51	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
52	0.44	0.44	-0.02	0.44	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	-0.02
53	-0.20	0.56	-0.20	1.10	0.56	0.56	-0.20	0.56	0.56	0.56	1.10	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	0.56
54	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
55	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
56	0.60	0.62	0.62	0.62	0.60	0.60	0.60	0.60	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.60
57	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
58	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
59	-0.30	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	-0.46	-0.46	-0.46	-0.30	-0.30	-0.30	-0.46	-0.46	-0.46
60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
61	1.30	-0.30	1.30	0.71	0.71	1.30	0.71	0.71	0.71	0.71	0.71	-0.30	0.16	1.30	-0.30	0.71	-0.30	0.71	0.71	1.30
62	1.11	0.55	1.11	1.11	1.11	0.55	1.11	1.11	0.55	1.11	0.55	1.11	0.55	1.11	1.11	0.55	0.55	1.11	0.55	1.11
63	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.07	0.07	0.07	0.07	0.66	0.07	0.66	0.66	0.07
64	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-1.25
70	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	0.66	1.00	1.00	1.00	0.66	1.00	0.66	1.00
71	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20
72	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66
73	0.62	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.62	0.62	0.62	0.60	0.60	0.62	0.60	0.60	0.62	0.60
74	-0.32	0.62	0.62	-0.32	0.62	-0.32	0.62	0.62	-0.32	0.62	0.62	-0.32	-0.32	0.16	0.16	0.16	0.62	0.62	0.62	0.16
75	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
76	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
77	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
78	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
79	-0.50	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	-0.50
80	0.29	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.29	0.44
81	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58
82	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28
83	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.30	-0.46	0.16	0.16	-0.30
84	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.09	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
85	1.30	0.71	1.30	0.71	1.30	1.30	0.71	1.30	1.30	1.30	1.30	0.71	1.30	1.30	1.30	1.30	1.30	1.30	0.71	1.30
86	0.30	0.30	0.30	0.30	0.30	0.30	0.41	0.30	0.74	0.30	0.30	0.30	0.74	0.30	0.30	0.30	0.30	0.74	-0.29	0.30
87	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46
88	-1.38	-1.38	-1.38	0.16	-1.38	0.16	-1.38	-1.38	-1.38	0.16	-1.38	-1.38	-0.32	-1.38	0.16	-1.38	-1.38	-1.38	0.16	0.16
89	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
90	0.50	0.50	0.86	0.86	0.86	0.50	0.86	0.86	0.86	0.86	0.86	0.50	0.86	0.86	0.86	0.50	0.50	0.50	0.86	0.86
91	0.30	-0.62	0.30	-0.62	0.30	0.30	-0.62	-0.62	0.30	-0.62	0.30	0.30	-0.62	0.30	-0.62	0.30	-0.62	-0.62	0.30	0.30
92	1.04	0.20	0.20	0.20	1.04	1.04	1.04	1.04	1.04	0.54	0.20	1.04	0.20	1.04	0.20	1.04	0.20	1.04	1.04	0.20
93	0.20	0.20	0.20	0.20	0.20	0.20	0.20	-0.41	-0.41	0.20	-0.41	0.20	0.20	0.20	0.20	0.20	0.20	0.20	-0.41	0.20
97	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
98	-0.20	-0.20	0.56	-0.20	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56
99	1.28	0.87	0.87	0.87	0.87	1.28	0.87	0.87	1.28	0.87	0.87	0.87	1.28	1.28	1.28	0.87	0.87	1.28	1.28	1.28
100	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.66
101	0.44	0.44	0.44	0.44	0.44	0.29	0.29	0.29	0.44	0.44	0.44	0.44	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.44
102	-0.06	-0.59	-0.02	-0.59	-0.02	0.55	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	0.55	-0.02	-0.02	-0.02	-0.02	-0.02
103	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
104	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.60	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62
105	-0.38	0.16	0.16	-0.38	-0.38	0.16	0.16	-0.38	0.16	-0.38	0.16	-0.38	-0.38	0.16	-0.38	0.16	-0.38	-0.38	-0.38	0.16
106	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
107	0.71	0.71	0.71	0.71	0.16	0.71	0.16	0.71	0.71	1.30	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71
108	-0.55	-0.55	-1.70	-0.55	-1.70	-0.55	-0.55	-0.55	-1.70	-0.55	-1.70	-0.55	-0.55	-1.70	-0.55	-0.55	-0.55	-1.70	-1.70	-1.70
109	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
110	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
111	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	-0.91	0.17	0.17
112	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
113	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
114	0.66	0.56	0.56	0.66	-0.94	0.66	0.66	0.56	0.56	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.56	0.56	0.56
115	0.29	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29
116	-2.15	0.09	-2.15	-0.58	-2.15	-0.58	-0.58	-2.15	-0.58	-2.15	-2.15	0.09	-2.15	-0.58	-0.58	-2.15	0.09	-0.58	-0.58	-0.58
117	1.11	0.55	1.11	1.11	1.11	0.55	1.11	1.11	0.55	1.11	0.55	1.11	0.55	1.11	0.55	1.11	0.55	1.11	0.55	0.55
118	0.44	0.44	0.44	0.44	0.76	0.44	0.76	0.76	0.44	0.76	0.44	0.44	0.44	0.44	-0.02	0.44	-0.02	0.44	0.44	0.76
119	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56
120	0.62	-0.58	-0.58	0.62	0.09	0.09	0.62	0.62	0.09	0.09	0.09	0.62	0.62	-0.43	0.62	0.09	0.62	0.09	0.09	0.62
#Reported_Model_Average	0.416	0.364	0.405	0.423	0.356	0.450	0.405	0.451	0.401	0.455	0.388	0.417	0.393	0.440	0.434	0.453	0.396	0.425	0.433	0.431
#Overall_Average_Reported	0.417

Output from ProsaII

ProsaII Score over a window of $winsize_s residues

JPEG image for ProsaII Score

Table of Verify3D scores for ordered residues across all models

#verify3d
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
7	0.71	0.16	-0.46	0.16	0.71	-0.46	0.71	0.71	-0.30	0.16	-0.30	-0.30	-0.46	0.16	-0.30	1.30	0.16	-0.30	0.71	1.30
8	0.60	-0.43	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.60	0.62	0.60	0.60	-0.43
9	1.02	0.87	0.87	1.02	0.87	1.02	0.87	1.02	1.02	1.02	1.02	1.02	1.02	0.87	1.02	1.02	0.87	1.02	0.87	0.87
10	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
11	0.62	0.62	-0.43	0.62	0.62	-0.43	-2.15	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62
12	0.62	0.62	0.62	0.62	-0.32	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	-0.32	0.62	0.62	0.62	0.62	0.62	0.62	0.62
13	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26	1.26
14	-0.02	-0.02	-0.02	-0.02	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	0.55	-0.02	0.55	0.55	0.55
15	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62
16	0.30	-0.62	0.30	0.30	0.30	0.30	0.30	0.30	-0.62	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	0.30	-0.62
17	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
18	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
19	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
20	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
21	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
22	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.44	0.44	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.44
23	0.56	0.56	1.10	1.10	0.56	1.10	0.56	1.10	0.56	1.10	1.10	0.56	0.56	0.56	1.10	0.56	-0.20	1.10	1.10	0.56
24	0.50	0.50	0.86	0.50	0.50	0.50	0.86	0.50	0.86	-0.55	0.86	0.50	0.50	0.86	-0.55	0.86	0.50	0.86	0.50	0.86
25	0.62	0.29	0.62	0.29	0.29	0.62	0.62	0.29	0.62	0.62	0.29	0.62	0.62	0.62	0.62	0.29	0.29	0.29	0.29	0.62
26	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62
42	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
43	0.44	0.44	0.44	0.44	-0.02	-0.02	-0.02	0.44	-0.02	0.44	0.44	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
44	-0.62	-0.62	0.30	-0.62	-0.62	-0.62	-0.62	0.30	0.30	0.30	-0.62	-0.62	0.30	-0.62	-0.62	0.30	0.30	0.30	-0.62	0.30
45	0.62	0.62	0.60	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.60	0.62	0.62	0.62	0.62
46	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.60	0.62	0.62	0.60	0.60	0.62	0.62	0.62	0.60
47	-0.58	-0.58	-0.58	-1.76	-1.76	-0.58	-1.76	-0.58	-1.76	-0.58	-0.58	-0.58	-1.76	-1.76	-0.58	-1.76	-0.58	-0.58	-0.58	-1.76
48	0.29	0.29	0.29	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.44	0.44	0.29	0.44	0.29	0.29	0.44
49	0.60	0.62	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.62	0.60	0.60	0.60	0.60	0.60
50	0.71	0.16	0.16	0.71	0.16	0.71	0.16	0.71	0.16	0.71	0.71	0.16	0.16	0.71	0.71	0.71	-0.30	-0.30	0.16	0.16
51	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
52	0.44	0.44	-0.02	0.44	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	-0.02
53	-0.20	0.56	-0.20	1.10	0.56	0.56	-0.20	0.56	0.56	0.56	1.10	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	0.56
54	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
55	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
56	0.60	0.62	0.62	0.62	0.60	0.60	0.60	0.60	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.60
57	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63	0.63
58	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
59	-0.30	-0.46	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.46	-0.46	-0.46	-0.46	-0.30	-0.30	-0.30	-0.46	-0.46	-0.46
60	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
61	1.30	-0.30	1.30	0.71	0.71	1.30	0.71	0.71	0.71	0.71	0.71	-0.30	0.16	1.30	-0.30	0.71	-0.30	0.71	0.71	1.30
62	1.11	0.55	1.11	1.11	1.11	0.55	1.11	1.11	0.55	1.11	0.55	1.11	0.55	1.11	1.11	0.55	0.55	1.11	0.55	1.11
63	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.07	0.07	0.66	0.07	0.07	0.07	0.07	0.07	0.66	0.07	0.66	0.66	0.07
64	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-0.62	-1.25
70	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	0.66	0.66	1.00	1.00	1.00	0.66	1.00	0.66	1.00
71	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20	0.20
72	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.07	0.66	0.66
73	0.62	0.60	0.60	0.60	0.60	0.60	0.60	0.62	0.60	0.60	0.62	0.62	0.62	0.60	0.60	0.62	0.60	0.60	0.62	0.60
74	-0.32	0.62	0.62	-0.32	0.62	-0.32	0.62	0.62	-0.32	0.62	0.62	-0.32	-0.32	0.16	0.16	0.16	0.62	0.62	0.62	0.16
75	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
76	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
77	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	-0.02	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
78	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
79	-0.50	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	-0.50
80	0.29	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.44	0.44	0.29	0.44	0.44	0.44	0.29	0.44
81	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58
82	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28	1.28
83	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.30	-0.46	0.16	0.16	-0.30
84	0.62	0.62	0.62	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.09	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
85	1.30	0.71	1.30	0.71	1.30	1.30	0.71	1.30	1.30	1.30	1.30	0.71	1.30	1.30	1.30	1.30	1.30	1.30	0.71	1.30
86	0.30	0.30	0.30	0.30	0.30	0.30	0.41	0.30	0.74	0.30	0.30	0.30	0.74	0.30	0.30	0.30	0.30	0.74	-0.29	0.30
87	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.46	-0.30	-0.46
88	-1.38	-1.38	-1.38	0.16	-1.38	0.16	-1.38	-1.38	-1.38	0.16	-1.38	-1.38	-0.32	-1.38	0.16	-1.38	-1.38	-1.38	0.16	0.16
89	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47	0.47
90	0.50	0.50	0.86	0.86	0.86	0.50	0.86	0.86	0.86	0.86	0.86	0.50	0.86	0.86	0.86	0.50	0.50	0.50	0.86	0.86
91	0.30	-0.62	0.30	-0.62	0.30	0.30	-0.62	-0.62	0.30	-0.62	0.30	0.30	-0.62	0.30	-0.62	0.30	-0.62	-0.62	0.30	0.30
92	1.04	0.20	0.20	0.20	1.04	1.04	1.04	1.04	1.04	0.54	0.20	1.04	0.20	1.04	0.20	1.04	0.20	1.04	1.04	0.20
93	0.20	0.20	0.20	0.20	0.20	0.20	0.20	-0.41	-0.41	0.20	-0.41	0.20	0.20	0.20	0.20	0.20	0.20	0.20	-0.41	0.20
97	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07	0.07
98	-0.20	-0.20	0.56	-0.20	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56
99	1.28	0.87	0.87	0.87	0.87	1.28	0.87	0.87	1.28	0.87	0.87	0.87	1.28	1.28	1.28	0.87	0.87	1.28	1.28	1.28
100	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.66	0.07	0.66	0.66	0.66	0.56	0.66	0.66	0.66	0.66	0.66	0.66
101	0.44	0.44	0.44	0.44	0.44	0.29	0.29	0.29	0.44	0.44	0.44	0.44	0.44	0.29	0.29	0.44	0.29	0.29	0.44	0.44
102	-0.06	-0.59	-0.02	-0.59	-0.02	0.55	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	-0.02	0.55	-0.02	-0.02	-0.02	-0.02	-0.02
103	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
104	0.62	0.62	0.62	0.62	0.62	0.62	0.60	0.62	0.62	0.60	0.62	0.62	0.60	0.62	0.62	0.62	0.62	0.62	0.62	0.62
105	-0.38	0.16	0.16	-0.38	-0.38	0.16	0.16	-0.38	0.16	-0.38	0.16	-0.38	-0.38	0.16	-0.38	0.16	-0.38	-0.38	-0.38	0.16
106	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
107	0.71	0.71	0.71	0.71	0.16	0.71	0.16	0.71	0.71	1.30	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71	0.71
108	-0.55	-0.55	-1.70	-0.55	-1.70	-0.55	-0.55	-0.55	-1.70	-0.55	-1.70	-0.55	-0.55	-1.70	-0.55	-0.55	-0.55	-1.70	-1.70	-1.70
109	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39	0.39
110	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30	1.30
111	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	0.17	-0.91	0.17	0.17
112	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76	0.76
113	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
114	0.66	0.56	0.56	0.66	-0.94	0.66	0.66	0.56	0.56	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.56	0.56	0.56	0.56
115	0.29	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.44	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29	0.29
116	-2.15	0.09	-2.15	-0.58	-2.15	-0.58	-0.58	-2.15	-0.58	-2.15	-2.15	0.09	-2.15	-0.58	-0.58	-2.15	0.09	-0.58	-0.58	-0.58
117	1.11	0.55	1.11	1.11	1.11	0.55	1.11	1.11	0.55	1.11	0.55	1.11	0.55	1.11	0.55	1.11	0.55	1.11	0.55	0.55
118	0.44	0.44	0.44	0.44	0.76	0.44	0.76	0.76	0.44	0.76	0.44	0.44	0.44	0.44	-0.02	0.44	-0.02	0.44	0.44	0.76
119	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	-0.20	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56	0.56
120	0.62	-0.58	-0.58	0.62	0.09	0.09	0.62	0.62	0.09	0.09	0.09	0.62	0.62	-0.43	0.62	0.09	0.62	0.09	0.09	0.62
#Reported_Model_Average	0.416	0.364	0.405	0.423	0.356	0.450	0.405	0.451	0.401	0.455	0.388	0.417	0.393	0.440	0.434	0.453	0.396	0.425	0.433	0.431
#Overall_Average_Reported	0.417

Output from MolProbity

VdW violations from MAGE

JPEG image for MAGE VdW violation

Table of MAGE VdW violations for ordered residues across all models

#mage_clash
#Residue\Model	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20
7.000	3	0	1	3	1	2	4	1	0	2	0	0	1	1	3	3	4	0	2	0
8.000	0	2	0	2	0	1	2	1	1	2	2	1	2	0	0	0	0	0	0	4
9.000	1	0	0	0	1	2	0	0	0	1	1	0	5	1	0	0	0	0	0	1
10.000	2	1	1	2	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1	1
11.000	0	0	0	2	0	2	3	1	1	0	0	0	1	1	0	0	1	0	0	0
12.000	1	1	1	1	2	2	1	1	1	0	1	1	1	1	1	1	1	1	1	1
13.000	1	2	0	2	1	2	0	0	0	1	0	0	1	2	0	2	0	0	0	1
14.000	1	3	1	1	2	2	2	1	2	1	4	1	2	1	2	2	1	2	2	2
15.000	0	0	0	2	0	0	0	0	0	0	1	0	0	0	0	1	1	0	1	0
16.000	2	1	1	1	1	1	1	1	1	0	1	1	1	1	2	2	1	1	1	1
17.000	0	0	1	0	0	0	0	1	1	0	1	0	0	0	0	0	0	0	0	0
18.000	0	0	0	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0
19.000	0	1	0	2	3	0	1	4	0	1	1	0	0	0	2	1	1	0	1	0
20.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
21.000	1	1	2	0	0	1	2	0	1	1	1	3	3	1	1	0	1	2	1	1
22.000	0	1	0	1	1	6	1	0	0	2	0	0	0	0	1	0	0	0	0	0
23.000	0	0	0	0	1	4	1	1	2	0	0	0	0	0	3	0	0	1	0	0
24.000	0	0	0	0	0	3	0	0	2	0	0	1	2	3	0	0	0	1	0	1
25.000	0	0	0	0	0	7	2	0	0	1	0	0	0	0	0	0	1	0	0	1
26.000	0	0	0	2	0	1	0	0	0	1	0	0	0	0	2	0	1	0	0	0
42.000	3	1	1	1	2	1	2	3	3	2	2	2	3	2	2	1	1	3	3	2
43.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44.000	1	0	1	0	0	1	0	0	0	0	0	1	0	0	0	0	1	0	0	0
45.000	0	0	0	0	1	0	0	0	1	1	1	0	1	0	0	0	1	0	0	0
46.000	1	0	0	1	0	0	0	1	1	0	0	0	1	1	1	1	0	0	2	0
47.000	0	0	2	0	1	0	0	0	0	0	0	0	0	0	0	0	0	1	0	2
48.000	0	1	0	0	0	0	0	0	1	0	1	0	0	0	1	0	1	2	0	0
49.000	0	0	0	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1
50.000	0	0	0	1	1	1	0	1	1	0	0	0	3	2	1	1	0	0	1	0
51.000	1	0	1	0	2	1	2	1	0	0	1	0	0	1	0	1	0	0	1	2
52.000	0	1	0	0	0	0	0	0	0	0	0	1	1	0	0	0	1	0	0	0
53.000	0	0	0	1	1	0	0	0	0	0	0	1	1	0	0	0	2	0	0	1
54.000	0	0	0	0	0	1	0	0	0	2	1	0	2	0	0	0	0	0	0	1
55.000	0	1	0	0	0	0	0	0	0	0	1	0	1	0	0	0	0	0	0	0
56.000	0	0	0	0	0	0	0	0	0	0	0	2	0	0	0	0	0	0	0	0
57.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	1	0	1
58.000	0	0	1	0	1	0	0	1	1	0	1	1	0	0	1	0	0	2	0	0
59.000	0	3	1	1	2	3	2	0	0	1	2	2	2	1	2	0	1	3	2	1
60.000	1	1	1	1	0	1	2	1	0	3	0	0	1	2	1	0	1	3	2	0
61.000	0	0	0	0	0	2	0	0	0	0	0	0	0	0	0	0	0	0	2	0
62.000	2	4	2	1	5	0	4	1	1	3	3	4	2	2	2	0	2	6	3	1
63.000	0	1	1	3	0	0	2	0	0	2	0	2	0	1	1	4	0	1	1	2
64.000	1	1	0	0	0	1	1	1	0	1	1	0	1	1	0	0	0	1	1	0
70.000	0	2	1	2	2	0	1	0	0	0	0	1	2	1	0	1	1	3	1	1
71.000	2	0	3	0	1	0	1	0	0	0	0	1	0	0	1	0	0	0	0	0
72.000	0	0	0	0	1	1	1	0	0	0	1	2	3	0	0	0	0	0	1	0
73.000	1	0	1	0	0	0	1	0	0	0	0	2	0	0	0	2	0	0	0	0
74.000	1	1	3	1	3	2	2	1	1	3	3	2	1	1	0	1	1	3	1	1
75.000	1	0	2	0	2	0	0	2	0	0	1	0	0	0	2	0	0	1	0	0
76.000	0	0	0	0	1	0	0	0	0	0	0	0	1	0	0	0	0	2	1	0
77.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
78.000	2	3	1	1	2	3	2	3	2	2	1	2	2	1	1	2	2	3	4	3
79.000	3	1	2	2	3	3	2	1	0	0	1	0	1	1	1	0	1	0	4	1
80.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0
81.000	0	1	0	0	0	0	0	0	0	1	0	0	0	0	1	1	2	0	1	0
82.000	2	2	4	1	1	1	1	1	0	0	0	0	0	1	1	1	0	2	0	1
83.000	0	1	1	0	1	0	0	0	1	0	1	0	0	0	1	0	1	2	0	0
84.000	0	1	1	1	1	1	1	0	1	1	1	1	0	1	0	0	2	0	0	0
85.000	1	4	2	0	0	0	2	1	1	1	0	0	2	0	1	3	0	1	1	0
86.000	0	1	1	1	0	1	1	1	0	0	0	0	0	1	0	0	0	1	0	1
87.000	1	2	1	1	1	1	0	0	0	1	1	1	0	0	1	0	1	0	1	0
88.000	1	6	2	1	3	5	5	1	2	1	2	2	1	3	2	0	4	2	1	0
89.000	0	0	1	0	0	1	0	0	0	1	0	0	0	2	0	0	0	0	0	0
90.000	0	0	0	0	0	0	0	0	0	0	0	1	0	0	0	1	0	0	0	0
91.000	2	1	1	1	1	1	2	0	1	1	1	1	1	0	3	0	3	1	3	0
92.000	0	1	0	0	0	0	0	0	1	0	0	1	2	0	0	0	0	0	0	1
93.000	1	1	1	0	0	1	1	0	0	0	0	0	0	1	0	0	1	0	1	0
97.000	0	0	2	3	0	0	1	0	0	0	0	0	0	0	2	1	2	2	0	0
98.000	0	0	0	2	1	0	2	0	2	0	3	2	0	1	0	0	0	3	1	0
99.000	4	1	4	0	3	2	4	0	1	1	2	5	3	2	1	0	0	2	2	0
100.000	0	0	0	0	0	1	0	2	0	0	0	0	0	0	0	1	0	0	1	0
101.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
102.000	2	1	2	2	1	1	0	1	1	1	2	1	1	1	3	3	2	2	4	0
103.000	0	0	1	0	0	0	0	0	2	0	1	0	1	0	2	0	0	1	1	0
104.000	0	0	0	0	0	1	0	0	0	0	0	0	0	0	0	1	0	1	1	0
105.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
106.000	2	3	2	1	2	2	2	3	3	2	2	2	3	2	3	2	3	3	3	2
107.000	0	0	0	0	1	1	0	1	1	1	2	1	1	1	1	0	1	0	0	0
108.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0	0
109.000	2	3	2	2	1	3	1	2	1	1	1	2	2	2	1	2	1	3	3	3
110.000	2	4	1	3	4	4	2	1	1	3	4	2	4	2	2	3	2	2	2	2
111.000	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
112.000	0	0	0	0	2	0	1	1	2	1	0	1	0	0	0	2	1	1	0	0
113.000	2	2	2	0	0	2	0	2	2	2	2	0	1	3	2	1	1	0	3	3
114.000	2	0	0	0	3	0	0	0	0	1	0	0	0	0	2	1	2	2	0	2
115.000	1	0	0	0	0	0	0	0	0	0	0	0	1	1	0	0	0	0	0	0
116.000	1	1	0	0	1	1	1	1	4	2	0	0	2	0	0	4	1	0	0	1
117.000	2	1	2	0	0	1	1	2	1	2	2	0	1	2	1	1	1	0	1	2
118.000	0	0	0	0	0	1	0	1	0	0	2	0	0	0	1	0	0	0	0	1
119.000	2	0	1	0	0	0	0	3	0	0	0	0	3	1	0	0	0	0	0	0
120.000	0	1	5	1	0	0	0	1	1	0	2	0	0	1	0	0	0	0	0	2
#Reported_Model_Average	0.681	0.791	0.780	0.637	0.791	0.989	0.813	0.604	0.604	0.637	0.725	0.637	0.857	0.637	0.736	0.604	0.681	0.835	0.780	0.604
#Overall_Average_Reported	0.721

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  67 PRO 2HD  :A  62 ILE  HB  :   -0.822:        0
:  2019:A  62 ILE 3HD1 :A  75 ILE 2HD1 :   -0.476:        0

:  2019:A  94 ILE 1HG1 :A  99 PHE 1HB  :   -0.771:        0
:  2019:A  88 GLN 2HB  :A  94 ILE  HB  :   -0.448:        0
:  2019:A  99 PHE  HE2 :A  21 ALA  HA  :   -0.444:        0
:  2019:A  99 PHE 1HB  :A  94 ILE  CG1 :   -0.410:        0
:  2019:A  94 ILE 1HG1 :A  99 PHE  CB  :   -0.404:        0

:  2019:A  66 ARG  HA  :A  66 ARG  HE  :   -0.727:        0
:  2019:A  65 ARG  HA  :A  65 ARG  HE  :   -0.497:        0
:  2019:A  66 ARG  HA  :A  66 ARG  NE  :   -0.491:        0
:  2019:A  66 ARG 1HB  :A  65 ARG  O   :   -0.453:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 1HG  :   -0.691:        0
:  2019:A  79 LYS 2HD  :A  79 LYS  C   :   -0.423:        0

:  2019:A   7 LEU 1HD2 :A 114 LYS 1HG  :   -0.660:        0
:  2019:A  82 PHE  HZ  :A  16 VAL  HB  :   -0.593:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.553:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.513:        0
:  2019:A 114 LYS 1HG  :A   7 LEU  CD2 :   -0.453:        0
:  2019:A  82 PHE 1HB  :A  78 VAL  O   :   -0.439:        0
:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.423:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  HB  :   -0.414:        0
:  2019:A 117 ILE  HB  :A   7 LEU 3HD2 :   -0.408:        0

:  2019:A  42 PRO  O   :A  46 GLU 1HG  :   -0.625:        0
:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.511:        0
:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.457:        0
:  2019:A  41 LYS 1HB  :A  37 PHE  O   :   -0.440:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.603:        0
:  2019:A  40 ILE  O   :A  44 VAL 3HG2 :   -0.478:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.521:        0
:  2019:A  93 HIS  H   :A  91 VAL 3HG2 :   -0.466:        0

:  2019:A  71 HIS  HD2 :A  73 GLU 2HB  :   -0.488:        0
:  2019:A  71 HIS 2HB  :A  74 GLN  CG  :   -0.444:        0

:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.480:        0
:  2019:A  85 LEU 2HD1 :A 102 ILE 2HG2 :   -0.475:        0
:  2019:A 110 LEU 2HD2 :A  10 THR 3HG2 :   -0.461:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.458:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.438:        0

:  2019:A 116 GLU  HA  :A 119 ARG  CB  :   -0.419:        0
:  2019:A 115 ASP  O   :A 119 ARG 1HB  :   -0.416:        0

:  2019:A   9 MET  O   :A  13 MET 2HG  :   -0.408:        0

:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.406:        0
#sum2 ::20.31 clashscore : 20.31 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226926 potential dots:14180.0 A^2:41 bumps:41 bumps B<40:522.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  67 PRO 2HD  :A  62 ILE  HB  :   -0.739:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.586:        0
:  2019:A  70 VAL  O   :A  67 PRO 1HB  :   -0.578:        0
:  2019:A  62 ILE  HA  :A  65 ARG  O   :   -0.551:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.510:        0
:  2019:A  14 ILE 1HG1 :A 110 LEU 3HD1 :   -0.506:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.484:        0
:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.470:        0
:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.464:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.459:        0
:  2019:A  82 PHE  CE1 :A  13 MET 2HG  :   -0.437:        0
:  2019:A  78 VAL 1HG2 :A 109 THR 1HG2 :   -0.434:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.432:        0
:  2019:A  14 ILE  CG1 :A 110 LEU 3HD1 :   -0.428:        0
:  2019:A  70 VAL 3HG2 :A 109 THR 3HG2 :   -0.424:        0
:  2019:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.421:        0
:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.419:        0
:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.414:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.408:        0
:  2019:A  55 ALA  O   :A  59 LEU  HG  :   -0.403:        0
:  2019:A  64 VAL 2HG1 :A  65 ARG 2HG  :   -0.400:        0

:  2019:A 120 GLU 1HG  :A 116 GLU  O   :   -0.685:        0

:  2019:A  63 LYS 2HG  :A  60 GLU  O   :   -0.641:        0

:  2019:A  19 LYS  HA  :A  22 ASP 2HB  :   -0.592:        0

:  2019:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.553:        0

:  2019:A   8 GLU  HA  :A   3 SER 1HB  :   -0.551:        0
:  2019:A   3 SER  N   :A   2 LEU 3HD2 :   -0.454:        0
:  2019:A   3 SER 1HB  :A   8 GLU 1HG  :   -0.441:        0

:  2019:A  88 GLN 1HG  :A  85 LEU  HA  :   -0.543:        0
:  2019:A  88 GLN  CG  :A  85 LEU  HA  :   -0.524:        0
:  2019:A  85 LEU 1HB  :A  81 ASN  O   :   -0.487:        0
:  2019:A  94 ILE 2HG2 :A  88 GLN 1HB  :   -0.483:        0
:  2019:A  94 ILE 1HG2 :A  88 GLN  NE2 :   -0.474:        0
:  2019:A  88 GLN 1HG  :A  85 LEU  CA  :   -0.460:        0
:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.447:        0
:  2019:A  94 ILE  H   :A  92 HIS  C   :   -0.420:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.535:        0
:  2019:A  93 HIS  HE1 :A  87 LEU 3HD2 :   -0.401:        0

:  2019:A  52 ALA  HA  :A  79 LYS 2HE  :   -0.534:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.507:        0
:  2019:A  40 ILE 2HG1 :A  39 THR 3HG2 :   -0.429:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.480:        0

:  2019:A  21 ALA  HA  :A  99 PHE  HE1 :   -0.428:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.421:        0
#sum2 ::21.79 clashscore : 21.79 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226781 potential dots:14170.0 A^2:44 bumps:44 bumps B<40:502.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  65 ARG 1HD  :A 120 GLU  HA  :   -0.879:        0
:  2019:A  65 ARG 1HD  :A 120 GLU  CA  :   -0.723:        0
:  2019:A  65 ARG  HA  :A  65 ARG  NE  :   -0.543:        0
:  2019:A  65 ARG  HA  :A  65 ARG  HE  :   -0.493:        0
:  2019:A  66 ARG 1HB  :A  65 ARG  O   :   -0.473:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.472:        0
:  2019:A  70 VAL 3HG2 :A 109 THR 3HG2 :   -0.464:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.459:        0
:  2019:A  67 PRO 2HD  :A  66 ARG  HA  :   -0.431:        0
:  2019:A 120 GLU  O   :A 120 GLU 2HG  :   -0.408:        0
:  2019:A 120 GLU 2HB  :A 117 ILE  O   :   -0.402:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.632:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.620:        0

:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.611:        0
:  2019:A  71 HIS 2HB  :A  74 GLN 1HG  :   -0.497:        0
:  2019:A  74 GLN 1HB  :A  71 HIS  O   :   -0.462:        0
:  2019:A  73 GLU 1HB  :A  71 HIS  HD2 :   -0.408:        0

:  2019:A  39 THR  HB  :A  40 ILE 2HD1 :   -0.569:        0
:  2019:A  44 VAL 1HG2 :A  40 ILE 3HG2 :   -0.461:        0
:  2019:A  40 ILE  N   :A  40 ILE 2HD1 :   -0.427:        0

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.559:        0
:  2019:A  58 ALA  O   :A  62 ILE 1HG1 :   -0.445:        0

:  2019:A  31 ASN 1HD2 :A  34 TYR 2HB  :   -0.518:        0

:  2019:A  21 ALA  HA  :A  99 PHE  CE2 :   -0.506:        0
:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.506:        0
:  2019:A  94 ILE 3HG2 :A  93 HIS  HD2 :   -0.462:        0
:  2019:A  99 PHE  HE2 :A  21 ALA  HA  :   -0.412:        0
:  2019:A  94 ILE 3HD1 :A  88 GLN  CD  :   -0.409:        0
:  2019:A  99 PHE 1HB  :A  94 ILE  CD1 :   -0.409:        0
:  2019:A  99 PHE  HE1 :A  89 SER 2HB  :   -0.406:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.501:        0

:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.483:        0
:  2019:A  85 LEU 1HD1 :A 103 THR  HA  :   -0.449:        0
:  2019:A  85 LEU 2HD1 :A 102 ILE 2HG2 :   -0.447:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.438:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.482:        0

:  2019:A  97 LYS 1HB  :A  97 LYS  NZ  :   -0.480:        0

:  2019:A   4 GLN 2HG  :A   7 LEU 3HD2 :   -0.462:        0

:  2019:A  75 ILE 2HD1 :A  75 ILE  H   :   -0.459:        0

:  2019:A  47 ASN 2HD2 :A  82 PHE  HE2 :   -0.458:        0
:  2019:A  82 PHE  HE2 :A  47 ASN  ND2 :   -0.417:        0
:  2019:A  17 ALA 2HB  :A  82 PHE  HE1 :   -0.410:        0
:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.406:        0

:  2019:A  51 ALA  CB  :A  79 LYS 2HG  :   -0.443:        0
:  2019:A  79 LYS  O   :A  83 LEU  HG  :   -0.440:        0

:  2019:A  60 GLU  O   :A  63 LYS 2HB  :   -0.418:        0

:  2019:A 119 ARG  NH1 :A  68 LYS 2HD  :   -0.407:        0
#sum2 ::23.28 clashscore : 23.28 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226776 potential dots:14170.0 A^2:47 bumps:47 bumps B<40:534.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  38 GLU 1HB  :A  35 ASP 2HB  :   -0.903:        0
:  2019:A  40 ILE 2HG1 :A  39 THR 3HG2 :   -0.728:        0
:  2019:A  35 ASP 2HB  :A  38 GLU  CB  :   -0.485:        0
:  2019:A  39 THR 2HG2 :A  35 ASP  O   :   -0.477:        0
:  2019:A  40 ILE 2HG1 :A  39 THR  CG2 :   -0.421:        0
:  2019:A  38 GLU  HA  :A  38 GLU  OE1 :   -0.420:        0

:  2019:A  29 ASN 2HB  :A  26 GLU 2HB  :   -0.759:        0
:  2019:A  22 ASP  O   :A  26 GLU 1HG  :   -0.412:        0

:  2019:A   3 SER 1HB  :A   8 GLU 2HB  :   -0.644:        0
:  2019:A   3 SER 1HB  :A   8 GLU  CB  :   -0.431:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.621:        0

:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.614:        0
:  2019:A 110 LEU 1HD1 :A  13 MET 1HG  :   -0.501:        0
:  2019:A  14 ILE 1HG1 :A  10 THR  O   :   -0.489:        0
:  2019:A 110 LEU 2HD2 :A  10 THR 3HG2 :   -0.466:        0

:  2019:A  66 ARG 1HB  :A  65 ARG  O   :   -0.589:        0

:  2019:A  15 GLU 1HG  :A  19 LYS 2HD  :   -0.585:        0
:  2019:A  15 GLU  CG  :A  19 LYS 2HD  :   -0.554:        0

:  2019:A  63 LYS 2HG  :A  60 GLU  O   :   -0.547:        0

:  2019:A  88 GLN 2HG  :A  84 GLU  O   :   -0.547:        0

:  2019:A  63 LYS 1HB  :A  63 LYS  NZ  :   -0.472:        0

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.526:        0

:  2019:A   7 LEU  HG  :A  11 GLU 1HG  :   -0.520:        0
:  2019:A   4 GLN  H   :A   7 LEU 2HB  :   -0.494:        0
:  2019:A  11 GLU 1HG  :A   7 LEU  O   :   -0.478:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.506:        0

:  2019:A  70 VAL 1HG2 :A 109 THR 3HG2 :   -0.502:        0
:  2019:A  70 VAL  CG2 :A 109 THR 3HG2 :   -0.475:        0

:  2019:A  49 GLU  O   :A  53 ARG 1HB  :   -0.484:        0

:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.481:        0

:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.459:        0

:  2019:A  97 LYS 2HB  :A  98 ARG 2HD  :   -0.454:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.446:        0
:  2019:A  97 LYS 1HD  :A  97 LYS  HA  :   -0.408:        0
:  2019:A 102 ILE 2HG1 :A  98 ARG  O   :   -0.407:        0

:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.445:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.432:        0

:  2019:A  79 LYS 2HD  :A  79 LYS  C   :   -0.413:        0

:  2019:A 120 GLU  O   :A 121 ASP 2HB  :   -0.411:        0
#sum2 ::19.32 clashscore : 19.32 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:227007 potential dots:14190.0 A^2:39 bumps:39 bumps B<40:527.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  98 ARG 1HB  :A  94 ILE  HB  :   -0.706:        0
:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.507:        0
:  2019:A  99 PHE 1HB  :A  94 ILE  CD1 :   -0.479:        0
:  2019:A  99 PHE  HA  :A  88 GLN  NE2 :   -0.438:        0
:  2019:A  99 PHE 1HB  :A  94 ILE 3HD1 :   -0.414:        0
:  2019:A  88 GLN 1HB  :A  94 ILE  CG1 :   -0.404:        0

:  2019:A  47 ASN 2HD2 :A  82 PHE  HE2 :   -0.626:        0

:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.618:        0
:  2019:A  78 VAL 1HG2 :A 109 THR 1HG2 :   -0.507:        0
:  2019:A  74 GLN  HA  :A  74 GLN  OE1 :   -0.467:        0

:  2019:A  29 ASN 2HB  :A  23 ARG 1HH2 :   -0.596:        0

:  2019:A  69 TYR 1HB  :A 112 ALA 1HB  :   -0.562:        0
:  2019:A 112 ALA  O   :A 116 GLU 1HG  :   -0.450:        0

:  2019:A  36 PHE  HA  :A  40 ILE 3HD1 :   -0.550:        0
:  2019:A  40 ILE  H   :A  40 ILE 2HD1 :   -0.432:        0

:  2019:A  67 PRO 2HB  :A  62 ILE 2HG2 :   -0.543:        0
:  2019:A  70 VAL  O   :A  67 PRO 1HB  :   -0.539:        0
:  2019:A  62 ILE 3HD1 :A  75 ILE 2HD1 :   -0.529:        0
:  2019:A  62 ILE  CG2 :A  67 PRO 2HB  :   -0.489:        0
:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.489:        0
:  2019:A  76 GLU 1HG  :A  59 LEU 1HD1 :   -0.476:        0
:  2019:A  71 HIS  N   :A  70 VAL 2HG2 :   -0.430:        0
:  2019:A  75 ILE 3HD1 :A  58 ALA 1HB  :   -0.410:        0
:  2019:A  72 LYS 1HG  :A  62 ILE 2HD1 :   -0.409:        0

:  2019:A   9 MET  SD  :A  53 ARG 1HD  :   -0.526:        0

:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD2 :   -0.521:        0
:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.513:        0
:  2019:A  14 ILE 1HG1 :A 110 LEU 3HD1 :   -0.484:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.468:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.464:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.427:        0

:  2019:A  79 LYS 2HG  :A  51 ALA 3HB  :   -0.512:        0
:  2019:A  51 ALA  CB  :A  79 LYS 2HG  :   -0.500:        0
:  2019:A  79 LYS  O   :A  83 LEU  HG  :   -0.433:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.503:        0

:  2019:A  19 LYS  HA  :A  22 ASP 2HB  :   -0.491:        0
:  2019:A  19 LYS 1HD  :A  19 LYS  HA  :   -0.454:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.468:        0

:  2019:A   2 LEU 1HB  :A   1 MET  O   :   -0.468:        0

:  2019:A  50 LEU 1HD1 :A  12 GLN  OE1 :   -0.427:        0

:  2019:A  32 HIS  C   :A  34 TYR  H   :   -0.459:        0

:  2019:A  41 LYS  O   :A  45 GLU 2HG  :   -0.454:        0
:  2019:A  41 LYS  H   :A  42 PRO 1HD  :   -0.431:        0
:  2019:A  41 LYS  CB  :A  42 PRO  CD  :   -0.416:        0

:  2019:A 114 LYS 1HD  :A 114 LYS  C   :   -0.444:        0
:  2019:A   7 LEU 1HD1 :A 114 LYS 1HG  :   -0.415:        0

:  2019:A  39 THR  H   :A  37 PHE  C   :   -0.436:        0

:  2019:A   5 THR  O   :A   6 LEU 1HB  :   -0.414:        0
#sum2 ::23.77 clashscore : 23.77 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226867 potential dots:14180.0 A^2:48 bumps:48 bumps B<40:547 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  96 LYS  HA  :A  24 TYR  HE2 :   -0.810:        0
:  2019:A  96 LYS  HA  :A  24 TYR  CE2 :   -0.646:        0
:  2019:A  89 SER  HA  :A  24 TYR  HD1 :   -0.447:        0

:  2019:A  25 GLN 2HG  :A  22 ASP  O   :   -0.760:        0
:  2019:A  25 GLN  CG  :A  22 ASP  HA  :   -0.633:        0
:  2019:A  25 GLN 2HG  :A  22 ASP  HA  :   -0.483:        0
:  2019:A  25 GLN 2HG  :A  22 ASP  C   :   -0.462:        0
:  2019:A  22 ASP  HA  :A  25 GLN 1HG  :   -0.418:        0
:  2019:A  25 GLN  NE2 :A  26 GLU 2HG  :   -0.412:        0
:  2019:A  25 GLN 2HG  :A  22 ASP  CA  :   -0.410:        0

:  2019:A   7 LEU  HG  :A  11 GLU 1HG  :   -0.745:        0
:  2019:A   7 LEU  HG  :A  11 GLU  CG  :   -0.518:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 1HG  :   -0.709:        0
:  2019:A  79 LYS 2HD  :A  79 LYS  C   :   -0.438:        0

:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.630:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.543:        0
:  2019:A 110 LEU 1HD1 :A  13 MET 1HG  :   -0.494:        0
:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD2 :   -0.450:        0
:  2019:A  14 ILE 1HG1 :A 110 LEU 3HD1 :   -0.400:        0

:  2019:A 123 ARG  NE  :A 123 ARG  HA  :   -0.617:        0
:  2019:A 123 ARG  HA  :A 123 ARG  HE  :   -0.491:        0

:  2019:A  66 ARG 2HG  :A  67 PRO 1HD  :   -0.604:        0

:  2019:A  59 LEU 1HD2 :A  72 LYS 2HG  :   -0.601:        0
:  2019:A  59 LEU 3HD2 :A  59 LEU  HA  :   -0.400:        0

:  2019:A 100 LYS  O   :A 104 GLU 1HG  :   -0.579:        0

:  2019:A  35 ASP  O   :A  40 ILE 2HD1 :   -0.555:        0
:  2019:A  40 ILE  O   :A  44 VAL 3HG2 :   -0.516:        0

:  2019:A  88 GLN 2HB  :A  94 ILE 1HG1 :   -0.549:        0
:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.545:        0
:  2019:A  93 HIS 2HB  :A  88 GLN  OE1 :   -0.523:        0
:  2019:A  99 PHE  HD2 :A  94 ILE 1HD1 :   -0.421:        0
:  2019:A  99 PHE  HE1 :A  21 ALA  HA  :   -0.403:        0
:  2019:A  88 GLN  OE1 :A  88 GLN  HA  :   -0.402:        0

:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.518:        0

:  2019:A  78 VAL 1HG2 :A 109 THR  HB  :   -0.483:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.476:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  CB  :   -0.465:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.435:        0
:  2019:A 113 VAL 3HG2 :A 109 THR  O   :   -0.413:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.400:        0

:  2019:A 116 GLU  OE2 :A  68 LYS 1HD  :   -0.481:        0

:  2019:A  23 ARG 2HD  :A  23 ARG  C   :   -0.464:        0
:  2019:A  23 ARG 2HD  :A  23 ARG  O   :   -0.445:        0

:  2019:A   8 GLU 2HG  :A   9 MET  N   :   -0.460:        0
:  2019:A   9 MET 2HB  :A  54 TRP 1HB  :   -0.429:        0

:  2019:A  42 PRO 2HD  :A  41 LYS  CB  :   -0.448:        0

:  2019:A  50 LEU 1HD2 :A  12 GLN 2HB  :   -0.441:        0
:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.426:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.435:        0

:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.416:        0

:  2019:A  61 LEU  C   :A  61 LEU 3HD1 :   -0.415:        0

:  2019:A 122 SER 1HB  :A 118 ALA  O   :   -0.402:        0

:  2019:A  74 GLN  HA  :A  74 GLN  OE1 :   -0.402:        0
#sum2 ::26.25 clashscore : 26.25 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226768 potential dots:14170.0 A^2:53 bumps:53 bumps B<40:536 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  41 LYS 1HE  :A  41 LYS  HA  :   -0.971:        0
:  2019:A  42 PRO 2HD  :A  41 LYS 1HB  :   -0.587:        0
:  2019:A  42 PRO 2HD  :A  41 LYS  CB  :   -0.431:        0
:  2019:A  41 LYS  HA  :A  41 LYS  CE  :   -0.422:        0

:  2019:A  88 GLN 2HE2 :A  85 LEU  HA  :   -0.831:        0
:  2019:A  22 ASP  O   :A  25 GLN 1HG  :   -0.631:        0
:  2019:A  88 GLN 2HG  :A  84 GLU  O   :   -0.602:        0
:  2019:A  28 LYS 2HB  :A  96 LYS 2HE  :   -0.584:        0
:  2019:A  85 LEU  HA  :A  88 GLN  NE2 :   -0.504:        0
:  2019:A  21 ALA  HA  :A  99 PHE  CE2 :   -0.473:        0
:  2019:A  25 GLN  O   :A  28 LYS 1HE  :   -0.445:        0
:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.444:        0
:  2019:A  99 PHE 2HB  :A  96 LYS  O   :   -0.443:        0
:  2019:A  93 HIS  H   :A  91 VAL 3HG2 :   -0.439:        0
:  2019:A  88 GLN 1HE2 :A  99 PHE  HD1 :   -0.420:        0
:  2019:A  99 PHE  CZ  :A  21 ALA  HA  :   -0.420:        0

:  2019:A  38 GLU 1HB  :A  35 ASP 2HB  :   -0.727:        0

:  2019:A  59 LEU  O   :A  63 LYS 2HG  :   -0.690:        0
:  2019:A  67 PRO 2HG  :A  62 ILE  HB  :   -0.606:        0
:  2019:A  60 GLU  HA  :A  63 LYS 1HD  :   -0.542:        0
:  2019:A  59 LEU  O   :A  62 ILE 1HG1 :   -0.489:        0
:  2019:A  67 PRO 2HG  :A  62 ILE  CG2 :   -0.469:        0
:  2019:A  62 ILE  CB  :A  67 PRO 2HG  :   -0.461:        0
:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.440:        0

:  2019:A   2 LEU 1HD2 :A   7 LEU 3HD2 :   -0.662:        0
:  2019:A   1 MET 2HG  :A  11 GLU 2HB  :   -0.594:        0
:  2019:A   7 LEU 3HD2 :A   2 LEU  CD2 :   -0.489:        0
:  2019:A  11 GLU 1HG  :A   7 LEU  O   :   -0.472:        0
:  2019:A  11 GLU 2HG  :A   1 MET  HA  :   -0.441:        0
:  2019:A   2 LEU  HG  :A   2 LEU  O   :   -0.440:        0
:  2019:A   7 LEU 3HD1 :A 117 ILE  HB  :   -0.426:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 2HG  :   -0.624:        0
:  2019:A  51 ALA  CB  :A  79 LYS 2HG  :   -0.492:        0

:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.572:        0
:  2019:A  14 ILE 1HG1 :A  10 THR  O   :   -0.540:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.465:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  HB  :   -0.424:        0
:  2019:A 110 LEU 2HB  :A  14 ILE  CD1 :   -0.420:        0

:  2019:A  97 LYS 2HG  :A  98 ARG  N   :   -0.563:        0
:  2019:A  94 ILE 1HD1 :A  98 ARG 2HB  :   -0.477:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.520:        0

:  2019:A   3 SER  HA  :A   8 GLU 2HG  :   -0.512:        0
:  2019:A   3 SER  HA  :A   8 GLU  CG  :   -0.484:        0

:  2019:A  39 THR  CG2 :A  34 TYR 2HB  :   -0.503:        0
:  2019:A  34 TYR 2HB  :A  39 THR 1HG2 :   -0.482:        0
:  2019:A  39 THR 1HG2 :A  34 TYR  HD2 :   -0.400:        0

:  2019:A  74 GLN  HA  :A  74 GLN  OE1 :   -0.498:        0

:  2019:A 121 ASP  CG  :A 122 SER  H   :   -0.492:        0

:  2019:A   5 THR  HB  :A   4 GLN  O   :   -0.480:        0

:  2019:A  72 LYS 2HG  :A  73 GLU  N   :   -0.464:        0

:  2019:A 112 ALA 1HB  :A  69 TYR  CB  :   -0.459:        0
:  2019:A  69 TYR  HD1 :A 116 GLU  CG  :   -0.405:        0

:  2019:A 123 ARG 2HD  :A 123 ARG  N   :   -0.457:        0

:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.424:        0

:  2019:A  71 HIS  N   :A  70 VAL 2HG2 :   -0.422:        0

:  2019:A  19 LYS  O   :A  23 ARG 1HB  :   -0.421:        0
#sum2 ::27.74 clashscore : 27.74 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226801 potential dots:14180.0 A^2:56 bumps:56 bumps B<40:474.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  19 LYS  N   :A  19 LYS 2HE  :   -0.571:        0
:  2019:A  19 LYS 2HE  :A  19 LYS  CA  :   -0.431:        0

:  2019:A  75 ILE 3HD1 :A  58 ALA 1HB  :   -0.558:        0
:  2019:A  62 ILE 3HD1 :A  75 ILE 2HD1 :   -0.533:        0

:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.527:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.526:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.455:        0
:  2019:A 117 ILE 3HD1 :A   6 LEU  HG  :   -0.454:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.450:        0
:  2019:A  78 VAL 1HG2 :A 109 THR 1HG2 :   -0.414:        0
:  2019:A  78 VAL 3HG2 :A  74 GLN  O   :   -0.407:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.402:        0

:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.509:        0

:  2019:A  11 GLU 1HG  :A   7 LEU  O   :   -0.508:        0

:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.508:        0
:  2019:A  41 LYS  H   :A  42 PRO 1HD  :   -0.434:        0
:  2019:A  41 LYS 2HB  :A  42 PRO 2HD  :   -0.434:        0

:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.487:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 2HG  :   -0.485:        0

:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.464:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.461:        0

:  2019:A 119 ARG 2HB  :A 116 GLU  HA  :   -0.458:        0
:  2019:A 119 ARG 1HG  :A 119 ARG  O   :   -0.439:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.446:        0

:  2019:A 123 ARG 2HD  :A 118 ALA 3HB  :   -0.441:        0

:  2019:A 112 ALA 1HB  :A  69 TYR  CB  :   -0.430:        0

:  2019:A 100 LYS  O   :A 100 LYS 1HD  :   -0.426:        0

:  2019:A  88 GLN 1HG  :A  85 LEU  HA  :   -0.420:        0

:  2019:A   4 GLN  HA  :A   8 GLU 1HB  :   -0.416:        0

:  2019:A  65 ARG  NH1 :A 120 GLU  HA  :   -0.411:        0

:  2019:A  40 ILE  HB  :A  36 PHE  O   :   -0.407:        0

:  2019:A 107 LEU 1HD2 :A  17 ALA 1HB  :   -0.403:        0

:  2019:A  29 ASN  HA  :A  23 ARG 1HH2 :   -0.400:        0
#sum2 ::16.34 clashscore : 16.34 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226792 potential dots:14170.0 A^2:33 bumps:33 bumps B<40:566.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  94 ILE 2HD1 :A  98 ARG 1HB  :   -0.707:        0
:  2019:A  99 PHE 1HB  :A  94 ILE 1HD1 :   -0.542:        0
:  2019:A  98 ARG 1HB  :A  94 ILE  CD1 :   -0.413:        0

:  2019:A  34 TYR  HA  :A  38 GLU 1HB  :   -0.669:        0

:  2019:A  68 LYS 2HE  :A 116 GLU  OE1 :   -0.652:        0
:  2019:A 112 ALA 1HB  :A  69 TYR  CB  :   -0.546:        0
:  2019:A  68 LYS  CE  :A 116 GLU 1HB  :   -0.508:        0
:  2019:A  69 TYR  CD2 :A 116 GLU 2HB  :   -0.486:        0
:  2019:A  69 TYR 1HB  :A 112 ALA 1HB  :   -0.449:        0
:  2019:A 116 GLU 1HB  :A  68 LYS 1HD  :   -0.403:        0

:  2019:A  24 TYR  HE1 :A  96 LYS  HA  :   -0.646:        0
:  2019:A  24 TYR  CE2 :A  92 HIS  HD2 :   -0.401:        0

:  2019:A 103 THR 1HG2 :A  21 ALA 2HB  :   -0.641:        0
:  2019:A 103 THR 3HG2 :A  85 LEU 1HD1 :   -0.566:        0

:  2019:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.597:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.566:        0
:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.488:        0
:  2019:A  41 LYS  H   :A  42 PRO 1HD  :   -0.431:        0
:  2019:A  41 LYS  O   :A  45 GLU 2HG  :   -0.429:        0

:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.557:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.476:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.441:        0
:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.429:        0

:  2019:A  40 ILE 2HG2 :A  40 ILE  O   :   -0.495:        0
:  2019:A  40 ILE  N   :A  40 ILE 2HD1 :   -0.471:        0

:  2019:A 120 GLU  CD  :A  65 ARG  HE  :   -0.485:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.480:        0
:  2019:A  14 ILE  O   :A  18 GLU 2HG  :   -0.456:        0

:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.475:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.413:        0

:  2019:A   8 GLU  HA  :A  11 GLU 1HB  :   -0.461:        0

:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.456:        0
:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.439:        0

:  2019:A  23 ARG 1HD  :A  23 ARG  HA  :   -0.430:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.427:        0

:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.423:        0

:  2019:A 107 LEU 1HD2 :A  17 ALA 3HB  :   -0.414:        0

:  2019:A  62 ILE 1HG1 :A  58 ALA  O   :   -0.407:        0
#sum2 ::18.82 clashscore : 18.82 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226846 potential dots:14180.0 A^2:38 bumps:38 bumps B<40:495.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  35 ASP 2HB  :A  38 GLU 2HG  :   -0.898:        0

:  2019:A   4 GLN 2HE2 :A 117 ILE 3HG2 :   -0.709:        0
:  2019:A 114 LYS 2HG  :A   7 LEU 1HD1 :   -0.536:        0
:  2019:A 122 SER  O   :A   4 GLN 1HG  :   -0.479:        0
:  2019:A 117 ILE 1HG2 :A   7 LEU 1HB  :   -0.477:        0

:  2019:A  63 LYS 1HG  :A  60 GLU  O   :   -0.649:        0
:  2019:A  60 GLU  HA  :A  63 LYS 2HD  :   -0.566:        0
:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.450:        0

:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.612:        0

:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.568:        0
:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.546:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.540:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.450:        0
:  2019:A  74 GLN  HA  :A  74 GLN  OE1 :   -0.424:        0
:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD1 :   -0.420:        0

:  2019:A 112 ALA  O   :A 116 GLU 1HG  :   -0.558:        0
:  2019:A  68 LYS 1HB  :A  68 LYS  NZ  :   -0.547:        0
:  2019:A  68 LYS 2HD  :A  68 LYS  N   :   -0.531:        0
:  2019:A  68 LYS  H   :A 116 GLU  CD  :   -0.431:        0

:  2019:A   8 GLU  CD  :A   8 GLU  H   :   -0.554:        0

:  2019:A  67 PRO  CG  :A  62 ILE 2HG2 :   -0.542:        0
:  2019:A  67 PRO 2HG  :A  62 ILE 2HG2 :   -0.470:        0
:  2019:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.404:        0

:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.541:        0
:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.521:        0
:  2019:A  41 LYS  O   :A  45 GLU 1HG  :   -0.510:        0

:  2019:A  81 ASN 2HB  :A 102 ILE 3HG2 :   -0.538:        0

:  2019:A  54 TRP  HA  :A   9 MET  CE  :   -0.534:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.494:        0
:  2019:A 113 VAL 1HG2 :A  54 TRP  CZ2 :   -0.468:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.507:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.500:        0

:  2019:A  21 ALA  O   :A  25 GLN 2HG  :   -0.461:        0

:  2019:A  99 PHE 1HB  :A  94 ILE 1HD1 :   -0.445:        0

:  2019:A  19 LYS  HA  :A  22 ASP 2HB  :   -0.427:        0
:  2019:A  22 ASP  O   :A  26 GLU 2HG  :   -0.410:        0

:  2019:A  33 SER 2HB  :A  32 HIS  O   :   -0.422:        0

:  2019:A  85 LEU  O   :A  89 SER 2HB  :   -0.415:        0

:  2019:A   5 THR  O   :A   6 LEU 1HB  :   -0.414:        0
#sum2 ::19.32 clashscore : 19.32 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226586 potential dots:14160.0 A^2:39 bumps:39 bumps B<40:479.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A 110 LEU 2HB  :A  14 ILE 1HG1 :   -0.928:        0
:  2019:A  98 ARG 1HB  :A  94 ILE 1HD1 :   -0.876:        0
:  2019:A  94 ILE 1HG1 :A  99 PHE 1HB  :   -0.718:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.567:        0
:  2019:A  88 GLN 2HB  :A  94 ILE  HB  :   -0.546:        0
:  2019:A  88 GLN 2HG  :A  84 GLU  O   :   -0.471:        0
:  2019:A  94 ILE 1HD1 :A  98 ARG  CB  :   -0.450:        0
:  2019:A  99 PHE  HE2 :A  21 ALA  HA  :   -0.448:        0
:  2019:A  14 ILE  HA  :A 110 LEU 3HD1 :   -0.439:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.427:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.410:        0
:  2019:A  14 ILE 1HG1 :A 110 LEU  CB  :   -0.409:        0
:  2019:A 102 ILE 2HG1 :A  98 ARG  O   :   -0.406:        0

:  2019:A  67 PRO 2HG  :A  62 ILE 2HG2 :   -0.787:        0
:  2019:A  72 LYS 1HE  :A  62 ILE 2HD1 :   -0.692:        0
:  2019:A  55 ALA  O   :A  59 LEU  HG  :   -0.485:        0
:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.474:        0

:  2019:A 122 SER 2HB  :A 118 ALA  HA  :   -0.749:        0
:  2019:A 118 ALA  HA  :A 122 SER  CB  :   -0.592:        0

:  2019:A  40 ILE  CG1 :A  36 PHE  HA  :   -0.685:        0
:  2019:A  36 PHE  HA  :A  40 ILE 1HG1 :   -0.527:        0

:  2019:A   5 THR 2HG2 :A   8 GLU 2HB  :   -0.655:        0
:  2019:A   8 GLU 2HB  :A   5 THR  CG2 :   -0.467:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.617:        0

:  2019:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.614:        0

:  2019:A  96 LYS  HA  :A  96 LYS 2HE  :   -0.612:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 1HB  :   -0.606:        0
:  2019:A  41 LYS  O   :A  45 GLU 2HG  :   -0.449:        0
:  2019:A  42 PRO 2HD  :A  41 LYS  CB  :   -0.448:        0

:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.540:        0
:  2019:A  74 GLN  HA  :A  74 GLN  OE1 :   -0.432:        0

:  2019:A  64 VAL 2HG1 :A  65 ARG 2HG  :   -0.538:        0

:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.523:        0
:  2019:A 117 ILE 3HD1 :A   6 LEU  HG  :   -0.490:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.485:        0

:  2019:A  19 LYS 1HD  :A  15 GLU 1HG  :   -0.501:        0

:  2019:A 123 ARG  HA  :A 123 ARG  CZ  :   -0.482:        0
:  2019:A 123 ARG  NE  :A 123 ARG  HA  :   -0.449:        0

:  2019:A  75 ILE 3HD1 :A  58 ALA 1HB  :   -0.458:        0

:  2019:A 120 GLU  HA  :A 120 GLU  OE1 :   -0.454:        0

:  2019:A 103 THR  O   :A 107 LEU  HG  :   -0.446:        0
:  2019:A 107 LEU 1HD2 :A  17 ALA 3HB  :   -0.403:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.439:        0

:  2019:A  54 TRP  HA  :A   9 MET  CE  :   -0.423:        0

:  2019:A  37 PHE  HD2 :A  38 GLU 2HG  :   -0.415:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 2HG  :   -0.413:        0

:  2019:A  28 LYS 2HB  :A  28 LYS 1HE  :   -0.411:        0
#sum2 ::23.28 clashscore : 23.28 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226793 potential dots:14170.0 A^2:47 bumps:47 bumps B<40:446 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.839:        0
:  2019:A  67 PRO 2HG  :A  62 ILE  HB  :   -0.750:        0
:  2019:A  58 ALA  O   :A  62 ILE 1HG1 :   -0.433:        0
:  2019:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.430:        0
:  2019:A  67 PRO 2HD  :A  66 ARG  HA  :   -0.421:        0

:  2019:A  94 ILE 2HG2 :A  98 ARG 2HD  :   -0.835:        0
:  2019:A  88 GLN 2HG  :A  84 GLU  O   :   -0.600:        0
:  2019:A  98 ARG 2HB  :A  94 ILE  HB  :   -0.588:        0
:  2019:A  99 PHE  CZ  :A  21 ALA  HA  :   -0.570:        0
:  2019:A  21 ALA  HA  :A  99 PHE  CE2 :   -0.500:        0
:  2019:A  99 PHE 1HB  :A  94 ILE  CD1 :   -0.459:        0
:  2019:A  88 GLN  OE1 :A  94 ILE 3HD1 :   -0.455:        0
:  2019:A  99 PHE 1HB  :A  94 ILE 2HD1 :   -0.438:        0
:  2019:A  99 PHE  HZ  :A  21 ALA  HA  :   -0.429:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.608:        0
:  2019:A  40 ILE  O   :A  44 VAL 3HG2 :   -0.442:        0
:  2019:A  90 TYR  CZ  :A  40 ILE 1HG1 :   -0.406:        0

:  2019:A  53 ARG 1HH2 :A  56 GLU  CD  :   -0.587:        0
:  2019:A  52 ALA  O   :A  56 GLU 2HG  :   -0.452:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.552:        0
:  2019:A  41 LYS 2HB  :A  42 PRO  CD  :   -0.401:        0

:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.538:        0
:  2019:A  78 VAL 1HG2 :A 109 THR 1HG2 :   -0.528:        0
:  2019:A  70 VAL  CG2 :A 109 THR 3HG2 :   -0.480:        0
:  2019:A  71 HIS  O   :A  74 GLN 1HB  :   -0.400:        0

:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD2 :   -0.529:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.430:        0
:  2019:A 102 ILE  O   :A 106 VAL 3HG2 :   -0.407:        0

:  2019:A  69 TYR 1HB  :A 112 ALA 1HB  :   -0.521:        0

:  2019:A  68 LYS 1HB  :A  68 LYS  NZ  :   -0.506:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.461:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.454:        0

:  2019:A  72 LYS 1HD  :A  72 LYS  C   :   -0.454:        0

:  2019:A  92 HIS  CD2 :A  24 TYR  HE1 :   -0.451:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.433:        0

:  2019:A   4 GLN  O   :A   8 GLU 1HB  :   -0.428:        0

:  2019:A  73 GLU  H   :A  73 GLU  CD  :   -0.413:        0

:  2019:A  63 LYS 2HD  :A  63 LYS  C   :   -0.413:        0
#sum2 ::18.82 clashscore : 18.82 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226871 potential dots:14180.0 A^2:38 bumps:38 bumps B<40:526.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  52 ALA  HA  :A  79 LYS 2HE  :   -0.796:        0

:  2019:A  66 ARG 1HG  :A  67 PRO 1HD  :   -0.770:        0
:  2019:A  66 ARG 1HG  :A  67 PRO  CD  :   -0.632:        0
:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.485:        0
:  2019:A  55 ALA  O   :A  59 LEU  HG  :   -0.417:        0
:  2019:A  66 ARG 1HH1 :A  66 ARG 2HD  :   -0.416:        0
:  2019:A  67 PRO  HA  :A  62 ILE  CG2 :   -0.413:        0

:  2019:A 115 ASP  O   :A 119 ARG 1HB  :   -0.646:        0
:  2019:A 116 GLU  HA  :A 119 ARG  CB  :   -0.493:        0
:  2019:A 116 GLU  HA  :A 119 ARG 1HB  :   -0.477:        0

:  2019:A  41 LYS  O   :A  45 GLU 1HG  :   -0.615:        0
:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.532:        0
:  2019:A  41 LYS  H   :A  42 PRO 1HD  :   -0.498:        0
:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.433:        0

:  2019:A 123 ARG 1HB  :A   3 SER  HA  :   -0.593:        0
:  2019:A 123 ARG  NE  :A 123 ARG  HA  :   -0.552:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.590:        0
:  2019:A  40 ILE 2HG2 :A  40 ILE  O   :   -0.440:        0

:  2019:A  54 TRP  HA  :A   9 MET  CE  :   -0.587:        0
:  2019:A   9 MET  SD  :A  53 ARG 1HD  :   -0.571:        0
:  2019:A  54 TRP  HA  :A   9 MET 1HE  :   -0.524:        0
:  2019:A  50 LEU  CD1 :A   9 MET 2HG  :   -0.480:        0
:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.474:        0
:  2019:A  50 LEU 2HD1 :A   9 MET 2HG  :   -0.428:        0

:  2019:A   8 GLU  CD  :A   8 GLU  H   :   -0.571:        0

:  2019:A  99 PHE 2HB  :A  96 LYS  HA  :   -0.558:        0
:  2019:A  21 ALA  HA  :A  99 PHE  CE2 :   -0.547:        0
:  2019:A 103 THR 1HG2 :A  21 ALA 2HB  :   -0.423:        0
:  2019:A  21 ALA  HA  :A  99 PHE  HE2 :   -0.421:        0

:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.554:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.498:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.490:        0
:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD2 :   -0.483:        0
:  2019:A  14 ILE 1HG1 :A 110 LEU 3HD1 :   -0.467:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.431:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.422:        0
:  2019:A  70 VAL 1HG2 :A 109 THR 3HG2 :   -0.415:        0
:  2019:A  70 VAL 3HG2 :A  74 GLN  OE1 :   -0.412:        0
:  2019:A 109 THR  CB  :A  78 VAL 1HG2 :   -0.401:        0

:  2019:A  92 HIS  HD2 :A  24 TYR  HE1 :   -0.545:        0
:  2019:A  24 TYR  CE1 :A  92 HIS  HD2 :   -0.467:        0

:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.543:        0

:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.509:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.492:        0

:  2019:A  11 GLU 1HG  :A   7 LEU  O   :   -0.488:        0

:  2019:A  39 THR  HG1 :A  34 TYR  HD1 :   -0.463:        0
:  2019:A  34 TYR 1HB  :A  33 SER  O   :   -0.418:        0

:  2019:A  72 LYS 1HB  :A  72 LYS  NZ  :   -0.434:        0
:  2019:A  72 LYS  O   :A  76 GLU 1HG  :   -0.415:        0

:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.425:        0

:  2019:A  85 LEU 3HD2 :A  85 LEU  C   :   -0.417:        0
#sum2 ::25.26 clashscore : 25.26 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226796 potential dots:14170.0 A^2:51 bumps:51 bumps B<40:502.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  51 ALA 1HB  :A  79 LYS 2HG  :   -0.783:        0

:  2019:A  89 SER  HA  :A  24 TYR  HD1 :   -0.709:        0
:  2019:A  89 SER  HA  :A  24 TYR  CD1 :   -0.676:        0
:  2019:A  84 GLU  O   :A  88 GLN 1HG  :   -0.647:        0
:  2019:A  24 TYR  HE1 :A  88 GLN  O   :   -0.441:        0
:  2019:A  93 HIS 2HB  :A  88 GLN  OE1 :   -0.439:        0

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.696:        0
:  2019:A  67 PRO 2HG  :A  62 ILE  HB  :   -0.439:        0

:  2019:A  11 GLU 1HG  :A   7 LEU  O   :   -0.612:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.607:        0
:  2019:A  39 THR  O   :A  42 PRO 1HD  :   -0.442:        0

:  2019:A  68 LYS 2HB  :A  68 LYS  NZ  :   -0.601:        0
:  2019:A  68 LYS 1HD  :A  68 LYS  N   :   -0.449:        0

:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD2 :   -0.558:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.524:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.458:        0

:  2019:A 115 ASP  O   :A 119 ARG 1HB  :   -0.534:        0

:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.531:        0
:  2019:A  60 GLU  O   :A  63 LYS 2HB  :   -0.447:        0

:  2019:A 109 THR  CG2 :A  74 GLN 2HB  :   -0.526:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.516:        0
:  2019:A  70 VAL 1HG2 :A 113 VAL 2HG2 :   -0.505:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.487:        0
:  2019:A 120 GLU 1HB  :A 117 ILE  O   :   -0.467:        0

:  2019:A   2 LEU  HG  :A   2 LEU  O   :   -0.516:        0
:  2019:A   2 LEU 3HD2 :A   2 LEU  N   :   -0.472:        0

:  2019:A  31 ASN  N   :A  31 ASN 2HD2 :   -0.509:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.494:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.443:        0

:  2019:A 102 ILE 2HG1 :A  98 ARG  O   :   -0.442:        0

:  2019:A  13 MET 1HG  :A  50 LEU 1HD2 :   -0.431:        0
:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.430:        0
:  2019:A   9 MET  O   :A  13 MET 2HG  :   -0.415:        0

:  2019:A  21 ALA  HA  :A  99 PHE  HE1 :   -0.427:        0
:  2019:A  99 PHE  HD2 :A  94 ILE 1HD1 :   -0.417:        0

:  2019:A  36 PHE  O   :A  40 ILE  HB  :   -0.420:        0
:  2019:A  40 ILE  H   :A  40 ILE 2HD1 :   -0.420:        0
:  2019:A  40 ILE  N   :A  40 ILE 2HD1 :   -0.406:        0

:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.408:        0
#sum2 ::19.32 clashscore : 19.32 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226749 potential dots:14170.0 A^2:39 bumps:39 bumps B<40:537.2 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.650:        0
:  2019:A  42 PRO 2HD  :A  41 LYS  CB  :   -0.447:        0

:  2019:A  19 LYS  HA  :A  22 ASP 2HB  :   -0.622:        0
:  2019:A  23 ARG  HE  :A  23 ARG  CA  :   -0.421:        0
:  2019:A  19 LYS  O   :A  23 ARG 1HB  :   -0.410:        0

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.615:        0
:  2019:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.426:        0

:  2019:A 118 ALA  O   :A 122 SER 2HB  :   -0.605:        0

:  2019:A  85 LEU 2HD1 :A 102 ILE 2HG2 :   -0.594:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.574:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 2HG2 :   -0.447:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.431:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.423:        0
:  2019:A 110 LEU 2HB  :A  14 ILE 1HG1 :   -0.422:        0
:  2019:A  81 ASN 2HB  :A 102 ILE 3HG2 :   -0.400:        0

:  2019:A  79 LYS 2HD  :A  80 ASP  N   :   -0.559:        0

:  2019:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.559:        0

:  2019:A 103 THR 1HG2 :A  21 ALA 2HB  :   -0.558:        0
:  2019:A 103 THR  O   :A 107 LEU  HG  :   -0.408:        0

:  2019:A  39 THR 3HG2 :A  40 ILE 1HG1 :   -0.554:        0

:  2019:A  33 SER  HA  :A  38 GLU  CB  :   -0.550:        0
:  2019:A  33 SER  HA  :A  38 GLU 2HB  :   -0.417:        0

:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.538:        0
:  2019:A  88 GLN  HA  :A  91 VAL  CG2 :   -0.490:        0
:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.444:        0

:  2019:A  94 ILE 2HG1 :A  99 PHE 1HB  :   -0.534:        0
:  2019:A  94 ILE 3HD1 :A  94 ILE  N   :   -0.425:        0
:  2019:A  94 ILE  H   :A  94 ILE 3HD1 :   -0.410:        0

:  2019:A  82 PHE  HZ  :A  16 VAL  HB  :   -0.518:        0
:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.505:        0

:  2019:A  75 ILE 3HD1 :A  58 ALA 1HB  :   -0.511:        0
:  2019:A  71 HIS  O   :A  75 ILE 2HG1 :   -0.440:        0

:  2019:A  97 LYS 1HB  :A  97 LYS  NZ  :   -0.459:        0

:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.452:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.446:        0

:  2019:A 114 LYS 2HG  :A   7 LEU 1HD1 :   -0.451:        0
:  2019:A   7 LEU 2HB  :A   5 THR 2HG2 :   -0.443:        0
:  2019:A   7 LEU  CD1 :A 114 LYS 2HG  :   -0.435:        0

:  2019:A  60 GLU  O   :A  63 LYS 2HB  :   -0.443:        0

:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.434:        0

:  2019:A  29 ASN 1HB  :A  26 GLU 2HB  :   -0.433:        0
:  2019:A  29 ASN 1HB  :A  26 GLU  CB  :   -0.415:        0
#sum2 ::20.80 clashscore : 20.80 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:227020 potential dots:14190.0 A^2:42 bumps:42 bumps B<40:507.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A 116 GLU 1HG  :A  68 LYS 2HB  :   -0.703:        0
:  2019:A  69 TYR 1HB  :A 112 ALA 1HB  :   -0.632:        0
:  2019:A  68 LYS 1HD  :A  69 TYR  CE2 :   -0.537:        0
:  2019:A 116 GLU 2HG  :A  69 TYR  HD2 :   -0.485:        0
:  2019:A 112 ALA  O   :A 116 GLU 2HG  :   -0.445:        0
:  2019:A 116 GLU  CG  :A  69 TYR  HD2 :   -0.435:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.629:        0

:  2019:A  81 ASN 2HB  :A 102 ILE 3HG2 :   -0.574:        0
:  2019:A  85 LEU 2HD1 :A 102 ILE 2HG2 :   -0.545:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.537:        0
:  2019:A  13 MET 1HE  :A  51 ALA  HA  :   -0.529:        0
:  2019:A  13 MET  SD  :A 110 LEU 1HD2 :   -0.461:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.446:        0
:  2019:A 110 LEU 2HB  :A  14 ILE 1HG1 :   -0.446:        0
:  2019:A  85 LEU 3HD2 :A  85 LEU  C   :   -0.414:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.409:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.573:        0
:  2019:A  40 ILE 2HG1 :A  39 THR 3HG2 :   -0.449:        0
:  2019:A  36 PHE  H   :A  35 ASP 2HB  :   -0.417:        0

:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.567:        0

:  2019:A  96 LYS 2HG  :A  97 LYS  H   :   -0.565:        0
:  2019:A  96 LYS 1HD  :A  96 LYS  HA  :   -0.420:        0

:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.547:        0
:  2019:A  70 VAL 3HG2 :A 109 THR 3HG2 :   -0.526:        0
:  2019:A  78 VAL 1HG2 :A 109 THR 1HG2 :   -0.448:        0

:  2019:A   4 GLN 2HB  :A   7 LEU 1HB  :   -0.537:        0
:  2019:A 114 LYS 2HE  :A   7 LEU 1HD1 :   -0.529:        0
:  2019:A   4 GLN  CB  :A   7 LEU 1HB  :   -0.515:        0

:  2019:A  15 GLU  O   :A  19 LYS 1HB  :   -0.484:        0

:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.484:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.476:        0
:  2019:A  82 PHE  HZ  :A  16 VAL  HB  :   -0.454:        0

:  2019:A  73 GLU  H   :A  73 GLU  CD  :   -0.471:        0

:  2019:A  63 LYS 1HE  :A  63 LYS 2HB  :   -0.452:        0
:  2019:A  63 LYS 1HD  :A  63 LYS  C   :   -0.428:        0

:  2019:A 100 LYS  O   :A 104 GLU 1HG  :   -0.416:        0

:  2019:A  34 TYR  CB  :A  90 TYR  HD1 :   -0.412:        0
#sum2 ::18.33 clashscore : 18.33 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226619 potential dots:14160.0 A^2:37 bumps:37 bumps B<40:588.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.679:        0
:  2019:A  67 PRO  HA  :A  62 ILE 2HG2 :   -0.408:        0

:  2019:A  38 GLU 1HB  :A  35 ASP 2HB  :   -0.657:        0

:  2019:A  70 VAL 1HG2 :A 109 THR 3HG2 :   -0.653:        0

:  2019:A  15 GLU 1HG  :A  19 LYS 2HD  :   -0.582:        0

:  2019:A  88 GLN 2HG  :A  94 ILE 3HD1 :   -0.580:        0
:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.560:        0
:  2019:A  88 GLN  NE2 :A  84 GLU 2HG  :   -0.559:        0
:  2019:A  81 ASN 2HB  :A 102 ILE 3HG2 :   -0.541:        0
:  2019:A  84 GLU 2HB  :A  81 ASN  HA  :   -0.508:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.503:        0
:  2019:A  88 GLN  HA  :A  91 VAL  CG2 :   -0.493:        0
:  2019:A 110 LEU 2HD1 :A 107 LEU 3HD1 :   -0.479:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 2HG2 :   -0.455:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.433:        0
:  2019:A  94 ILE 3HG2 :A  93 HIS  HD2 :   -0.410:        0
:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.409:        0
:  2019:A  91 VAL 2HG2 :A  87 LEU  O   :   -0.406:        0

:  2019:A  97 LYS 1HD  :A  97 LYS  H   :   -0.577:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.553:        0
:  2019:A  41 LYS  O   :A  45 GLU 2HG  :   -0.420:        0

:  2019:A  69 TYR 1HB  :A 112 ALA 1HB  :   -0.544:        0
:  2019:A  68 LYS 1HG  :A 116 GLU  CD  :   -0.538:        0
:  2019:A  68 LYS 2HG  :A  69 TYR  CD2 :   -0.400:        0

:  2019:A  83 LEU 1HD2 :A  48 ASP  HA  :   -0.542:        0

:  2019:A   7 LEU 2HD2 :A   3 SER 2HB  :   -0.535:        0
:  2019:A 114 LYS 2HE  :A   7 LEU 1HD1 :   -0.521:        0
:  2019:A 114 LYS 1HG  :A   7 LEU  CD1 :   -0.486:        0
:  2019:A  11 GLU 1HG  :A   7 LEU  O   :   -0.466:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.529:        0
:  2019:A  40 ILE  O   :A  44 VAL 3HG2 :   -0.436:        0
:  2019:A  40 ILE  HB  :A  36 PHE  O   :   -0.405:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.523:        0

:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.512:        0

:  2019:A  28 LYS 1HB  :A  26 GLU 1HG  :   -0.475:        0

:  2019:A  52 ALA  HA  :A  79 LYS 2HE  :   -0.447:        0

:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.441:        0

:  2019:A  34 TYR 1HB  :A  33 SER  O   :   -0.434:        0

:  2019:A  25 GLN 1HB  :A  21 ALA  O   :   -0.428:        0

:  2019:A  53 ARG 2HD  :A  53 ARG  O   :   -0.408:        0

:  2019:A  60 GLU 2HB  :A  57 GLY  O   :   -0.401:        0
#sum2 ::20.31 clashscore : 20.31 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226781 potential dots:14170.0 A^2:41 bumps:41 bumps B<40:469.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A 110 LEU 2HB  :A  14 ILE 1HG1 :   -0.636:        0
:  2019:A  67 PRO 1HG  :A  62 ILE 2HG2 :   -0.629:        0
:  2019:A  67 PRO  CG  :A  62 ILE 2HG2 :   -0.571:        0
:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.569:        0
:  2019:A  98 ARG  NE  :A  98 ARG  HA  :   -0.568:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.551:        0
:  2019:A  75 ILE 3HD1 :A  58 ALA 1HB  :   -0.490:        0
:  2019:A 102 ILE 2HG1 :A  98 ARG  O   :   -0.480:        0
:  2019:A  70 VAL 1HG2 :A 109 THR 3HG2 :   -0.461:        0
:  2019:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.456:        0
:  2019:A  70 VAL  CG2 :A 109 THR 3HG2 :   -0.456:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  CB  :   -0.441:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.436:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.435:        0
:  2019:A  58 ALA  O   :A  62 ILE 3HG2 :   -0.431:        0
:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.426:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.425:        0
:  2019:A  70 VAL 2HG1 :A  67 PRO 1HB  :   -0.422:        0
:  2019:A  74 GLN  OE1 :A  74 GLN  HA  :   -0.409:        0
:  2019:A  59 LEU 3HD2 :A  62 ILE  CD1 :   -0.401:        0

:  2019:A 103 THR 1HG2 :A  21 ALA 2HB  :   -0.613:        0
:  2019:A  99 PHE 1HB  :A  94 ILE 3HD1 :   -0.556:        0
:  2019:A  99 PHE  HE2 :A  21 ALA  HA  :   -0.427:        0

:  2019:A  83 LEU 1HD1 :A  48 ASP  HA  :   -0.569:        0
:  2019:A  48 ASP  CA  :A  83 LEU 1HD1 :   -0.487:        0

:  2019:A  69 TYR 1HB  :A 112 ALA 1HB  :   -0.526:        0

:  2019:A  41 LYS 1HB  :A  40 ILE  O   :   -0.519:        0
:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.519:        0
:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.484:        0
:  2019:A  40 ILE  H   :A  40 ILE 2HD1 :   -0.424:        0
:  2019:A  41 LYS  N   :A  42 PRO 1HD  :   -0.409:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.518:        0

:  2019:A  63 LYS 2HE  :A  60 GLU  HA  :   -0.498:        0
:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.487:        0
:  2019:A  57 GLY  O   :A  60 GLU 2HB  :   -0.435:        0

:  2019:A  88 GLN 2HE2 :A  85 LEU  HA  :   -0.494:        0
:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.486:        0

:  2019:A 114 LYS 1HD  :A 114 LYS  C   :   -0.490:        0

:  2019:A 123 ARG  NE  :A 123 ARG  HA  :   -0.471:        0

:  2019:A  47 ASN 2HB  :A  82 PHE  HE2 :   -0.465:        0
:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.449:        0

:  2019:A  23 ARG 1HD  :A  29 ASN 2HB  :   -0.452:        0

:  2019:A  96 LYS  HA  :A  24 TYR  CE2 :   -0.446:        0

:  2019:A  76 GLU  HA  :A  76 GLU  OE1 :   -0.417:        0

:  2019:A  32 HIS 1HB  :A  31 ASN  O   :   -0.410:        0

:  2019:A  97 LYS 2HD  :A  97 LYS  HA  :   -0.410:        0

:  2019:A 104 GLU  O   :A 108 TYR 1HB  :   -0.409:        0
#sum2 ::23.28 clashscore : 23.28 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226790 potential dots:14170.0 A^2:47 bumps:47 bumps B<40:525.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A  94 ILE 1HG1 :A  99 PHE 1HB  :   -0.771:        0
:  2019:A  94 ILE  CG1 :A  99 PHE 1HB  :   -0.547:        0

:  2019:A  72 LYS  O   :A  76 GLU 1HG  :   -0.737:        0

:  2019:A  67 PRO 2HB  :A  62 ILE 2HG2 :   -0.645:        0
:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.527:        0
:  2019:A  59 LEU  HA  :A  62 ILE 1HG1 :   -0.451:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.629:        0
:  2019:A  50 LEU 1HB  :A  46 GLU  O   :   -0.449:        0
:  2019:A  46 GLU 1HB  :A  42 PRO  O   :   -0.447:        0
:  2019:A  41 LYS  H   :A  42 PRO  CD  :   -0.432:        0

:  2019:A  85 LEU 2HD1 :A 102 ILE 2HG2 :   -0.608:        0
:  2019:A 110 LEU 2HB  :A  14 ILE 1HG1 :   -0.590:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.546:        0
:  2019:A  70 VAL 1HG2 :A 113 VAL 2HG2 :   -0.536:        0
:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.522:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  HB  :   -0.496:        0
:  2019:A 102 ILE 2HG1 :A  98 ARG  O   :   -0.495:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.484:        0
:  2019:A 109 THR  O   :A 113 VAL 3HG2 :   -0.481:        0
:  2019:A 106 VAL 3HG2 :A 102 ILE  O   :   -0.476:        0
:  2019:A  81 ASN 2HB  :A 102 ILE 3HG2 :   -0.465:        0
:  2019:A  74 GLN  O   :A  78 VAL 3HG2 :   -0.450:        0
:  2019:A 117 ILE 2HG1 :A 113 VAL  O   :   -0.410:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  CB  :   -0.405:        0

:  2019:A  63 LYS 2HG  :A  60 GLU  O   :   -0.607:        0
:  2019:A  64 VAL 3HG2 :A  60 GLU  O   :   -0.485:        0

:  2019:A 103 THR 1HG2 :A  21 ALA 2HB  :   -0.591:        0

:  2019:A 100 LYS  O   :A 104 GLU 1HG  :   -0.520:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 1HG  :   -0.514:        0
:  2019:A  79 LYS 2HD  :A  80 ASP  N   :   -0.432:        0
:  2019:A  79 LYS 2HD  :A  79 LYS  C   :   -0.411:        0

:  2019:A  68 LYS 1HD  :A  68 LYS  N   :   -0.503:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.497:        0
:  2019:A  36 PHE  H   :A  40 ILE 2HD1 :   -0.465:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.485:        0

:  2019:A  15 GLU 1HG  :A  19 LYS 1HE  :   -0.461:        0

:  2019:A   7 LEU 2HD2 :A   7 LEU  HA  :   -0.433:        0

:  2019:A  61 LEU 1HD1 :A 123 ARG  HA  :   -0.432:        0
:  2019:A  61 LEU 1HD2 :A 123 ARG  CB  :   -0.411:        0

:  2019:A  93 HIS  H   :A  91 VAL 3HG2 :   -0.425:        0
:  2019:A  88 GLN  HA  :A  91 VAL 2HG2 :   -0.415:        0
:  2019:A  87 LEU  O   :A  91 VAL 2HG2 :   -0.404:        0

:  2019:A 122 SER 1HB  :A   4 GLN 2HB  :   -0.409:        0
#sum2 ::21.30 clashscore : 21.30 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226781 potential dots:14170.0 A^2:43 bumps:43 bumps B<40:538.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  2019:A 122 SER 1HB  :A 118 ALA  HA  :   -0.940:        0

:  2019:A  51 ALA 1HB  :A  79 LYS 2HG  :   -0.842:        0
:  2019:A  13 MET 1HE  :A  51 ALA  HA  :   -0.491:        0

:  2019:A 110 LEU  HG  :A 106 VAL  O   :   -0.616:        0
:  2019:A  14 ILE 2HG1 :A  10 THR  O   :   -0.529:        0
:  2019:A  78 VAL 3HG1 :A 106 VAL 3HG1 :   -0.508:        0
:  2019:A 110 LEU 2HB  :A  14 ILE 1HG1 :   -0.495:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  HB  :   -0.478:        0
:  2019:A  78 VAL 1HG2 :A 109 THR  CB  :   -0.449:        0
:  2019:A 109 THR 1HG2 :A  74 GLN 2HB  :   -0.400:        0

:  2019:A   8 GLU 1HG  :A   4 GLN 1HG  :   -0.606:        0
:  2019:A   4 GLN  HA  :A   8 GLU  CG  :   -0.495:        0
:  2019:A   3 SER  O   :A   8 GLU 2HG  :   -0.494:        0
:  2019:A   4 GLN  HA  :A   8 GLU  CD  :   -0.457:        0

:  2019:A  36 PHE  HA  :A  40 ILE 2HD1 :   -0.601:        0

:  2019:A  42 PRO 2HD  :A  41 LYS 2HB  :   -0.568:        0
:  2019:A  42 PRO  CD  :A  41 LYS 2HB  :   -0.471:        0

:  2019:A 120 GLU  OE2 :A  65 ARG 2HD  :   -0.545:        0
:  2019:A 120 GLU 1HG  :A 116 GLU  O   :   -0.455:        0
:  2019:A  65 ARG 1HH1 :A  65 ARG 2HD  :   -0.409:        0

:  2019:A  92 HIS 2HB  :A  24 TYR  HE1 :   -0.539:        0

:  2019:A   6 LEU 3HD1 :A  57 GLY 2HA  :   -0.519:        0
:  2019:A  70 VAL 1HG2 :A 113 VAL 2HG2 :   -0.425:        0
:  2019:A 113 VAL  O   :A 117 ILE 2HG1 :   -0.418:        0
:  2019:A   6 LEU 3HD2 :A 117 ILE 1HD1 :   -0.416:        0
:  2019:A   6 LEU  HA  :A   9 MET  CE  :   -0.414:        0
:  2019:A  54 TRP  HZ2 :A 113 VAL 1HG2 :   -0.411:        0
:  2019:A   6 LEU  HG  :A   6 LEU  O   :   -0.400:        0

:  2019:A 114 LYS 2HD  :A 114 LYS  C   :   -0.490:        0

:  2019:A  21 ALA  O   :A  25 GLN 2HG  :   -0.485:        0

:  2019:A  16 VAL 3HG2 :A  12 GLN  O   :   -0.462:        0

:  2019:A  63 LYS 2HD  :A  63 LYS  C   :   -0.450:        0

:  2019:A  62 ILE 1HD1 :A  59 LEU 3HD2 :   -0.438:        0

:  2019:A  47 ASN  N   :A  47 ASN 2HD2 :   -0.433:        0

:  2019:A  86 VAL 3HG2 :A  82 PHE  O   :   -0.415:        0

:  2019:A  49 GLU  O   :A  53 ARG 1HB  :   -0.409:        0
#sum2 ::17.83 clashscore : 17.83 clashscore B<40 
#summary::2019 atoms:2019 atoms B<40:226981 potential dots:14190.0 A^2:36 bumps:36 bumps B<40:516.7 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 10, 17:23:41 2013

[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]


The following checks were made on :
-----------------------------------------

CLOSE CONTACTS

==> Distances smaller than 2.2 Angstroms are considered as close contacts
    for heavy atoms, 1.6 Angstroms for hydrogens.

   Chain Atom    Res  Seq   Chain Atom    Res  Seq   Mol_ID            Distance
   -------------------------------------------------------------------------
       A  HE2    TYR   24 -     A  HA     LYS   96        6            Dist = 1.37
       A  HA     LEU   85 -     A 2HE2    GLN   88        7            Dist = 1.38
       A 2HD2    ASN   47 -     A  HE2    PHE   82        5            Dist = 1.38
       A  HA     ALA  118 -     A 2HB     SER  122       20            Dist = 1.40
       A 1HG1    ILE   14 -     A 2HB     LEU  110       11            Dist = 1.42
       A 1HD     ARG   65 -     A  HA     GLU  120        3            Dist = 1.43
       A 2HB     ASP   35 -     A 1HB     GLU   38        4            Dist = 1.43
       A 2HB     ASP   35 -     A 2HG     GLU   38       10            Dist = 1.46
       A  HE1    TYR   24 -     A  HD2    HIS   92       13            Dist = 1.47
       A  HD1    TYR   24 -     A  HA     SER   89       14            Dist = 1.48
       A 1HD1    ILE   94 -     A 1HB     ARG   98       11            Dist = 1.48
       A 1HG2    ILE   94 -     A 2HD     ARG   98       12            Dist = 1.49
       A  HB     ILE   62 -     A 2HD     PRO   67        1            Dist = 1.51
       A 2HE2    GLN    4 -     A 1HG2    ILE  117       10            Dist = 1.51
       A 1HD2    LEU   59 -     A 2HD1    ILE   62       12            Dist = 1.52
       A  HE1    TYR   24 -     A  HA     LYS   96        9            Dist = 1.54
       A 1HZ     LYS   68 -     A  OE1    GLU  120       13            Dist = 1.54
       A  HA     ALA   52 -     A 2HE     LYS   79       13            Dist = 1.55
       A  OE2    GLU   11 -     A 3HZ     LYS  114        6            Dist = 1.55
       A 1HZ     LYS   72 -     A  OE1    GLU   76        9            Dist = 1.55
       A 2HD2    ASN   47 -     A  HE2    PHE   82        3            Dist = 1.55
       A  OE2    GLU   84 -     A  HE2    HIS   93        5            Dist = 1.56
       A 3HB     ALA   51 -     A 2HG     LYS   79       20            Dist = 1.56
       A 3HZ     LYS   68 -     A  OE1    GLU  116       20            Dist = 1.56
       A 2HZ     LYS   72 -     A  OE2    GLU   76       15            Dist = 1.57
       A 1HG1    ILE   94 -     A 1HB     PHE   99        1            Dist = 1.58
       A 1HH2    ARG   23 -     A 2HB     ASN   29        5            Dist = 1.58
       A 1HH2    ARG   98 -     A  OD2    ASP  101       18            Dist = 1.58
       A  HB     ILE   62 -     A 2HG     PRO   67       12            Dist = 1.58
       A 2HZ     LYS   68 -     A  OE1    GLU  120        9            Dist = 1.59
       A 1HG1    ILE   94 -     A 1HB     PHE   99       19            Dist = 1.59
       A  HA     ALA  118 -     A 1HB     SER  122       11            Dist = 1.59
       A  OD2    ASP  115 -     A 1HH2    ARG  119        6            Dist = 1.59
       A  H      LYS   68 -     A  OE1    GLU  116       11            Dist = 1.59
       A  HB     VAL   16 -     A  HZ     PHE   82        1            Dist = 1.59
       A  OE1    GLU   15 -     A 1HZ     LYS   19        8            Dist = 1.59
       A  OE1    GLU   15 -     A 1HZ     LYS   19       20            Dist = 1.59
       A  OE2    GLU   11 -     A 3HZ     LYS  114       15            Dist = 1.59
       A  OE1    GLU   60 -     A 2HZ     LYS   63       10            Dist = 1.59
       A 3HG2    ILE   62 -     A 2HG     PRO   67       11            Dist = 1.59
       A 1HE2    GLN   88 -     A  HD1    PHE   99        7            Dist = 1.59
       A 3HZ     LYS   72 -     A  OE1    GLU   76       20            Dist = 1.59
       A  OD1    ASP   35 -     A  H      GLU   38        6            Dist = 1.60
       A 3HB     ALA   51 -     A 2HG     LYS   79       14            Dist = 1.60
       A 2HB     ASP   35 -     A 1HB     GLU   38        7            Dist = 1.60


DISTANCES AND ANGLES 

We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:

==> Bond and angle checks are performed by first computing the average rms
    error for all bonds and angles relative to standard values for nucleotide
    units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
    Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
    Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
    1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
    Bond and Angle Parameters for X-ray protein structure refinement, Acta
    Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
    dictionary values by more than six times this computed rms error is 
    identified as an outlier.



    *** Covalent Bond Lengths:


The RMS deviation for covalent bonds relative to the standard 
dictionary is   0.004 Angstroms


The following table contains a list of the covalent bonds
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2    Bond    Dictionary
             Name     ID     Number                 Distance    Value
------------------------------------------------------------------------
  -0.025     ARG        A     53        1   CB   -  CG     1.495     1.520
  -0.026     GLU        A     56        2   N    -  CA     1.432     1.458
  -0.027     GLU        A     56        2   CB   -  CG     1.493     1.520
  -0.025     GLU        A     56        4   N    -  CA     1.433     1.458
  -0.028     GLU        A     56        4   CB   -  CG     1.492     1.520
  -0.026     GLU        A     56        7   N    -  CA     1.432     1.458
  -0.028     GLU        A     56        7   CB   -  CG     1.492     1.520
  -0.026     GLU        A     56       10   N    -  CA     1.432     1.458
  -0.026     GLU        A     56       10   CB   -  CG     1.494     1.520
  -0.026     GLU        A     56       11   N    -  CA     1.432     1.458
  -0.030     GLU        A     56       11   CB   -  CG     1.490     1.520
   0.023     PRO        A     42       13   C    -  N      1.364     1.341
  -0.029     GLU        A     56       16   N    -  CA     1.429     1.458
  -0.030     GLU        A     56       16   CB   -  CG     1.490     1.520
  -0.025     GLU        A     56       18   N    -  CA     1.433     1.458
  -0.028     GLU        A     56       18   CB   -  CG     1.492     1.520

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    0.6 degrees.

The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.


 Deviation  Residue  Chain  Sequence  Model  AT1  -  AT2  -  AT3    Bond    Dictionary
             Name     ID     Number                                 Angle      Value
--------------------------------------------------------------------------------
    -4.0    GLU       A       56         4   N    -  CA   -  CB     106.5     110.5
     3.4    THR       A        5        13   C    -  N    -  CA     125.1     121.7
    -3.4    ARG       A       66        13   N    -  CA   -  C      107.8     111.2
    -3.4    HIS       A       71        13   N    -  CA   -  C      107.8     111.2
     3.7    HIS       A       93        17   CA   -  CB   -  CG     117.5     113.8


TORSION ANGLES
 
The torsion angle distributions have been checked.  The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.


CHIRALITY

The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. W�thrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized.  Any other stereochemical violations are listed below.


E/Z NOMENCLATURE

E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142]. 

Model  Chain  Residue  Residue  Atom Name  Original
               Name    Number              Atom Name
-----  -----  -------  -------  --------   ---------
  1    A       GLN        4      1HE2
  1    A       GLN        4      2HE2
  1    A       GLN       12      1HE2
  1    A       GLN       12      2HE2
  1    A       GLN       25      1HE2
  1    A       GLN       25      2HE2
  1    A       ASN       29      1HD2
  1    A       ASN       29      2HD2
  1    A       ASN       31      1HD2
  1    A       ASN       31      2HD2
  1    A       ASN       47      1HD2
  1    A       ASN       47      2HD2
  1    A       GLN       74      1HE2
  1    A       GLN       74      2HE2
  1    A       ASN       81      1HD2
  1    A       ASN       81      2HD2
  1    A       GLN       88      1HE2
  1    A       GLN       88      2HE2
  2    A       GLN        4      1HE2
  2    A       GLN        4      2HE2
  2    A       GLN       12      1HE2
  2    A       GLN       12      2HE2
  2    A       GLN       25      1HE2
  2    A       GLN       25      2HE2
  2    A       ASN       29      1HD2
  2    A       ASN       29      2HD2
  2    A       ASN       31      1HD2
  2    A       ASN       31      2HD2
  2    A       ASN       47      1HD2
  2    A       ASN       47      2HD2
  2    A       GLN       74      1HE2
  2    A       GLN       74      2HE2
  2    A       ASN       81      1HD2
  2    A       ASN       81      2HD2
  2    A       GLN       88      1HE2
  2    A       GLN       88      2HE2
  3    A       GLN        4      1HE2
  3    A       GLN        4      2HE2
  3    A       GLN       12      1HE2
  3    A       GLN       12      2HE2
  3    A       GLN       25      1HE2
  3    A       GLN       25      2HE2
  3    A       ASN       29      1HD2
  3    A       ASN       29      2HD2
  3    A       ASN       31      1HD2
  3    A       ASN       31      2HD2
  3    A       ASN       47      1HD2
  3    A       ASN       47      2HD2
  3    A       GLN       74      1HE2
  3    A       GLN       74      2HE2
  3    A       ASN       81      1HD2
  3    A       ASN       81      2HD2
  3    A       GLN       88      1HE2
  3    A       GLN       88      2HE2
  4    A       GLN        4      1HE2
  4    A       GLN        4      2HE2
  4    A       GLN       12      1HE2
  4    A       GLN       12      2HE2
  4    A       GLN       25      1HE2
  4    A       GLN       25      2HE2
  4    A       ASN       29      1HD2
  4    A       ASN       29      2HD2
  4    A       ASN       31      1HD2
  4    A       ASN       31      2HD2
  4    A       ASN       47      1HD2
  4    A       ASN       47      2HD2
  4    A       GLN       74      1HE2
  4    A       GLN       74      2HE2
  4    A       ASN       81      1HD2
  4    A       ASN       81      2HD2
  4    A       GLN       88      1HE2
  4    A       GLN       88      2HE2
  5    A       GLN        4      1HE2
  5    A       GLN        4      2HE2
  5    A       GLN       12      1HE2
  5    A       GLN       12      2HE2
  5    A       GLN       25      1HE2
  5    A       GLN       25      2HE2
  5    A       ASN       29      1HD2
  5    A       ASN       29      2HD2
  5    A       ASN       31      1HD2
  5    A       ASN       31      2HD2
  5    A       ASN       47      1HD2
  5    A       ASN       47      2HD2
  5    A       GLN       74      1HE2
  5    A       GLN       74      2HE2
  5    A       ASN       81      1HD2
  5    A       ASN       81      2HD2
  5    A       GLN       88      1HE2
  5    A       GLN       88      2HE2
  6    A       GLN        4      1HE2
  6    A       GLN        4      2HE2
  6    A       GLN       12      1HE2
  6    A       GLN       12      2HE2
  6    A       GLN       25      1HE2
  6    A       GLN       25      2HE2
  6    A       ASN       29      1HD2
  6    A       ASN       29      2HD2
  6    A       ASN       31      1HD2
  6    A       ASN       31      2HD2
  6    A       ASN       47      1HD2
  6    A       ASN       47      2HD2
  6    A       GLN       74      1HE2
  6    A       GLN       74      2HE2
  6    A       ASN       81      1HD2
  6    A       ASN       81      2HD2
  6    A       GLN       88      1HE2
  6    A       GLN       88      2HE2
  7    A       GLN        4      1HE2
  7    A       GLN        4      2HE2
  7    A       GLN       12      1HE2
  7    A       GLN       12      2HE2
  7    A       GLN       25      1HE2
  7    A       GLN       25      2HE2
  7    A       ASN       29      1HD2
  7    A       ASN       29      2HD2
  7    A       ASN       31      1HD2
  7    A       ASN       31      2HD2
  7    A       ASN       47      1HD2
  7    A       ASN       47      2HD2
  7    A       GLN       74      1HE2
  7    A       GLN       74      2HE2
  7    A       ASN       81      1HD2
  7    A       ASN       81      2HD2
  7    A       GLN       88      1HE2
  7    A       GLN       88      2HE2
  8    A       GLN        4      1HE2
  8    A       GLN        4      2HE2
  8    A       GLN       12      1HE2
  8    A       GLN       12      2HE2
  8    A       GLN       25      1HE2
  8    A       GLN       25      2HE2
  8    A       ASN       29      1HD2
  8    A       ASN       29      2HD2
  8    A       ASN       31      1HD2
  8    A       ASN       31      2HD2
  8    A       ASN       47      1HD2
  8    A       ASN       47      2HD2
  8    A       GLN       74      1HE2
  8    A       GLN       74      2HE2
  8    A       ASN       81      1HD2
  8    A       ASN       81      2HD2
  8    A       GLN       88      1HE2
  8    A       GLN       88      2HE2
  9    A       GLN        4      1HE2
  9    A       GLN        4      2HE2
  9    A       GLN       12      1HE2
  9    A       GLN       12      2HE2
  9    A       GLN       25      1HE2
  9    A       GLN       25      2HE2
  9    A       ASN       29      1HD2
  9    A       ASN       29      2HD2
  9    A       ASN       31      1HD2
  9    A       ASN       31      2HD2
  9    A       ASN       47      1HD2
  9    A       ASN       47      2HD2
  9    A       GLN       74      1HE2
  9    A       GLN       74      2HE2
  9    A       ASN       81      1HD2
  9    A       ASN       81      2HD2
  9    A       GLN       88      1HE2
  9    A       GLN       88      2HE2
 10    A       GLN        4      1HE2
 10    A       GLN        4      2HE2
 10    A       GLN       12      1HE2
 10    A       GLN       12      2HE2
 10    A       GLN       25      1HE2
 10    A       GLN       25      2HE2
 10    A       ASN       29      1HD2
 10    A       ASN       29      2HD2
 10    A       ASN       31      1HD2
 10    A       ASN       31      2HD2
 10    A       ASN       47      1HD2
 10    A       ASN       47      2HD2
 10    A       GLN       74      1HE2
 10    A       GLN       74      2HE2
 10    A       ASN       81      1HD2
 10    A       ASN       81      2HD2
 10    A       GLN       88      1HE2
 10    A       GLN       88      2HE2
 11    A       GLN        4      1HE2
 11    A       GLN        4      2HE2
 11    A       GLN       12      1HE2
 11    A       GLN       12      2HE2
 11    A       GLN       25      1HE2
 11    A       GLN       25      2HE2
 11    A       ASN       29      1HD2
 11    A       ASN       29      2HD2
 11    A       ASN       31      1HD2
 11    A       ASN       31      2HD2
 11    A       ASN       47      1HD2
 11    A       ASN       47      2HD2
 11    A       GLN       74      1HE2
 11    A       GLN       74      2HE2
 11    A       ASN       81      1HD2
 11    A       ASN       81      2HD2
 11    A       GLN       88      1HE2
 11    A       GLN       88      2HE2
 12    A       GLN        4      1HE2
 12    A       GLN        4      2HE2
 12    A       GLN       12      1HE2
 12    A       GLN       12      2HE2
 12    A       GLN       25      1HE2
 12    A       GLN       25      2HE2
 12    A       ASN       29      1HD2
 12    A       ASN       29      2HD2
 12    A       ASN       31      1HD2
 12    A       ASN       31      2HD2
 12    A       ASN       47      1HD2
 12    A       ASN       47      2HD2
 12    A       GLN       74      1HE2
 12    A       GLN       74      2HE2
 12    A       ASN       81      1HD2
 12    A       ASN       81      2HD2
 12    A       GLN       88      1HE2
 12    A       GLN       88      2HE2
 13    A       GLN        4      1HE2
 13    A       GLN        4      2HE2
 13    A       GLN       12      1HE2
 13    A       GLN       12      2HE2
 13    A       GLN       25      1HE2
 13    A       GLN       25      2HE2
 13    A       ASN       29      1HD2
 13    A       ASN       29      2HD2
 13    A       ASN       31      1HD2
 13    A       ASN       31      2HD2
 13    A       ASN       47      1HD2
 13    A       ASN       47      2HD2
 13    A       GLN       74      1HE2
 13    A       GLN       74      2HE2
 13    A       ASN       81      1HD2
 13    A       ASN       81      2HD2
 13    A       GLN       88      1HE2
 13    A       GLN       88      2HE2
 14    A       GLN        4      1HE2
 14    A       GLN        4      2HE2
 14    A       GLN       12      1HE2
 14    A       GLN       12      2HE2
 14    A       GLN       25      1HE2
 14    A       GLN       25      2HE2
 14    A       ASN       29      1HD2
 14    A       ASN       29      2HD2
 14    A       ASN       31      1HD2
 14    A       ASN       31      2HD2
 14    A       ASN       47      1HD2
 14    A       ASN       47      2HD2
 14    A       GLN       74      1HE2
 14    A       GLN       74      2HE2
 14    A       ASN       81      1HD2
 14    A       ASN       81      2HD2
 14    A       GLN       88      1HE2
 14    A       GLN       88      2HE2
 15    A       GLN        4      1HE2
 15    A       GLN        4      2HE2
 15    A       GLN       12      1HE2
 15    A       GLN       12      2HE2
 15    A       GLN       25      1HE2
 15    A       GLN       25      2HE2
 15    A       ASN       29      1HD2
 15    A       ASN       29      2HD2
 15    A       ASN       31      1HD2
 15    A       ASN       31      2HD2
 15    A       ASN       47      1HD2
 15    A       ASN       47      2HD2
 15    A       GLN       74      1HE2
 15    A       GLN       74      2HE2
 15    A       ASN       81      1HD2
 15    A       ASN       81      2HD2
 15    A       GLN       88      1HE2
 15    A       GLN       88      2HE2
 16    A       GLN        4      1HE2
 16    A       GLN        4      2HE2
 16    A       GLN       12      1HE2
 16    A       GLN       12      2HE2
 16    A       GLN       25      1HE2
 16    A       GLN       25      2HE2
 16    A       ASN       29      1HD2
 16    A       ASN       29      2HD2
 16    A       ASN       31      1HD2
 16    A       ASN       31      2HD2
 16    A       ASN       47      1HD2
 16    A       ASN       47      2HD2
 16    A       GLN       74      1HE2
 16    A       GLN       74      2HE2
 16    A       ASN       81      1HD2
 16    A       ASN       81      2HD2
 16    A       GLN       88      1HE2
 16    A       GLN       88      2HE2
 17    A       GLN        4      1HE2
 17    A       GLN        4      2HE2
 17    A       GLN       12      1HE2
 17    A       GLN       12      2HE2
 17    A       GLN       25      1HE2
 17    A       GLN       25      2HE2
 17    A       ASN       29      1HD2
 17    A       ASN       29      2HD2
 17    A       ASN       31      1HD2
 17    A       ASN       31      2HD2
 17    A       ASN       47      1HD2
 17    A       ASN       47      2HD2
 17    A       GLN       74      1HE2
 17    A       GLN       74      2HE2
 17    A       ASN       81      1HD2
 17    A       ASN       81      2HD2
 17    A       GLN       88      1HE2
 17    A       GLN       88      2HE2
 18    A       GLN        4      1HE2
 18    A       GLN        4      2HE2
 18    A       GLN       12      1HE2
 18    A       GLN       12      2HE2
 18    A       GLN       25      1HE2
 18    A       GLN       25      2HE2
 18    A       ASN       29      1HD2
 18    A       ASN       29      2HD2
 18    A       ASN       31      1HD2
 18    A       ASN       31      2HD2
 18    A       ASN       47      1HD2
 18    A       ASN       47      2HD2
 18    A       GLN       74      1HE2
 18    A       GLN       74      2HE2
 18    A       ASN       81      1HD2
 18    A       ASN       81      2HD2
 18    A       GLN       88      1HE2
 18    A       GLN       88      2HE2
 19    A       GLN        4      1HE2
 19    A       GLN        4      2HE2
 19    A       GLN       12      1HE2
 19    A       GLN       12      2HE2
 19    A       GLN       25      1HE2
 19    A       GLN       25      2HE2
 19    A       ASN       29      1HD2
 19    A       ASN       29      2HD2
 19    A       ASN       31      1HD2
 19    A       ASN       31      2HD2
 19    A       ASN       47      1HD2
 19    A       ASN       47      2HD2
 19    A       GLN       74      1HE2
 19    A       GLN       74      2HE2
 19    A       ASN       81      1HD2
 19    A       ASN       81      2HD2
 19    A       GLN       88      1HE2
 19    A       GLN       88      2HE2
 20    A       GLN        4      1HE2
 20    A       GLN        4      2HE2
 20    A       GLN       12      1HE2
 20    A       GLN       12      2HE2
 20    A       GLN       25      1HE2
 20    A       GLN       25      2HE2
 20    A       ASN       29      1HD2
 20    A       ASN       29      2HD2
 20    A       ASN       31      1HD2
 20    A       ASN       31      2HD2
 20    A       ASN       47      1HD2
 20    A       ASN       47      2HD2
 20    A       GLN       74      1HE2
 20    A       GLN       74      2HE2
 20    A       ASN       81      1HD2
 20    A       ASN       81      2HD2
 20    A       GLN       88      1HE2
 20    A       GLN       88      2HE2

OTHER IMPORTANT ISSUES

==> The following residues are missing:
    (Note: The SEQ number starts from 1 for each chain according to SEQRES
     sequence record.)
    
     RES MOD#C SEQ          

     MET(  1 A-130 )
     LEU(  1 A-129 )
     SER(  1 A-128 )
     GLN(  1 A-127 )
     THR(  1 A-126 )
     LEU(  1 A-125 )
     LEU(  1 A-124 )
     GLU(  1 A-123 )
     MET(  1 A-122 )
     THR(  1 A-121 )
     GLU(  1 A-120 )
     GLN(  1 A-119 )
     MET(  1 A-118 )
     ILE(  1 A-117 )
     GLU(  1 A-116 )
     VAL(  1 A-115 )
     ALA(  1 A-114 )
     GLU(  1 A-113 )
     LYS(  1 A-112 )
     GLY(  1 A-111 )
     ALA(  1 A-110 )
     ASP(  1 A-109 )
     ARG(  1 A-108 )
     TYR(  1 A-107 )
     GLN(  1 A-106 )
     GLU(  1 A-105 )
     GLY(  1 A-104 )
     LYS(  1 A-103 )
     ASN(  1 A-102 )
     SER(  1 A-101 )
     ASN(  1 A-100 )
     HIS(  1 A -99 )
     SER(  1 A -98 )
     TYR(  1 A -97 )
     ASP(  1 A -96 )
     PHE(  1 A -95 )
     PHE(  1 A -94 )
     GLU(  1 A -93 )
     THR(  1 A -92 )
     ILE(  1 A -91 )
     LYS(  1 A -90 )
     PRO(  1 A -89 )
     ALA(  1 A -88 )
     VAL(  1 A -87 )
     GLU(  1 A -86 )
     GLU(  1 A -85 )
     ASN(  1 A -84 )
     ASP(  1 A -83 )
     GLU(  1 A -82 )
     LEU(  1 A -81 )
     ALA(  1 A -80 )
     ALA(  1 A -79 )
     ARG(  1 A -78 )
     TRP(  1 A -77 )
     ALA(  1 A -76 )
     GLU(  1 A -75 )
     GLY(  1 A -74 )
     ALA(  1 A -73 )
     LEU(  1 A -72 )
     GLU(  1 A -71 )
     LEU(  1 A -70 )
     ILE(  1 A -69 )
     LYS(  1 A -68 )
     VAL(  1 A -67 )
     ARG(  1 A -66 )
     ARG(  1 A -65 )
     PRO(  1 A -64 )
     LYS(  1 A -63 )
     TYR(  1 A -62 )
     VAL(  1 A -61 )
     HIS(  1 A -60 )
     LYS(  1 A -59 )
     GLU(  1 A -58 )
     GLN(  1 A -57 )
     ILE(  1 A -56 )
     GLU(  1 A -55 )
     ALA(  1 A -54 )
     VAL(  1 A -53 )
     LYS(  1 A -52 )
     ASP(  1 A -51 )
     ASN(  1 A -50 )
     PHE(  1 A -49 )
     LEU(  1 A -48 )
     GLU(  1 A -47 )
     LEU(  1 A -46 )
     VAL(  1 A -45 )
     LEU(  1 A -44 )
     GLN(  1 A -43 )
     SER(  1 A -42 )
     TYR(  1 A -41 )
     VAL(  1 A -40 )
     HIS(  1 A -39 )
     HIS(  1 A -38 )
     ILE(  1 A -37 )
     HIS(  1 A -36 )
     LYS(  1 A -35 )
     LYS(  1 A -34 )
     ARG(  1 A -33 )
     PHE(  1 A -32 )
     LYS(  1 A -31 )
     ASP(  1 A -30 )
     ILE(  1 A -29 )
     THR(  1 A -28 )
     GLU(  1 A -27 )
     SER(  1 A -26 )
     VAL(  1 A -25 )
     LEU(  1 A -24 )
     TYR(  1 A -23 )
     THR(  1 A -22 )
     LEU(  1 A -21 )
     HIS(  1 A -20 )
     ALA(  1 A -19 )
     VAL(  1 A -18 )
     LYS(  1 A -17 )
     ASP(  1 A -16 )
     GLU(  1 A -15 )
     ILE(  1 A -14 )
     ALA(  1 A -13 )
     ARG(  1 A -12 )
     GLU(  1 A -11 )
     ASP(  1 A -10 )
     SER(  1 A  -9 )
     ARG(  1 A  -8 )
     LEU(  1 A  -7 )
     GLU(  1 A  -6 )
     HIS(  1 A  -5 )
     HIS(  1 A  -4 )
     HIS(  1 A  -3 )
     HIS(  1 A  -2 )
     HIS(  1 A  -1 )
     HIS(  1 A   0 )
     MET(  2 A-130 )
     LEU(  2 A-129 )
     SER(  2 A-128 )
     GLN(  2 A-127 )
     THR(  2 A-126 )
     LEU(  2 A-125 )
     LEU(  2 A-124 )
     GLU(  2 A-123 )
     MET(  2 A-122 )
     THR(  2 A-121 )
     GLU(  2 A-120 )
     GLN(  2 A-119 )
     MET(  2 A-118 )
     ILE(  2 A-117 )
     GLU(  2 A-116 )
     VAL(  2 A-115 )
     ALA(  2 A-114 )
     GLU(  2 A-113 )
     LYS(  2 A-112 )
     GLY(  2 A-111 )
     ALA(  2 A-110 )
     ASP(  2 A-109 )
     ARG(  2 A-108 )
     TYR(  2 A-107 )
     GLN(  2 A-106 )
     GLU(  2 A-105 )
     GLY(  2 A-104 )
     LYS(  2 A-103 )
     ASN(  2 A-102 )
     SER(  2 A-101 )
     ASN(  2 A-100 )
     HIS(  2 A -99 )
     SER(  2 A -98 )
     TYR(  2 A -97 )
     ASP(  2 A -96 )
     PHE(  2 A -95 )
     PHE(  2 A -94 )
     GLU(  2 A -93 )
     THR(  2 A -92 )
     ILE(  2 A -91 )
     LYS(  2 A -90 )
     PRO(  2 A -89 )
     ALA(  2 A -88 )
     VAL(  2 A -87 )
     GLU(  2 A -86 )
     GLU(  2 A -85 )
     ASN(  2 A -84 )
     ASP(  2 A -83 )
     GLU(  2 A -82 )
     LEU(  2 A -81 )
     ALA(  2 A -80 )
     ALA(  2 A -79 )
     ARG(  2 A -78 )
     TRP(  2 A -77 )
     ALA(  2 A -76 )
     GLU(  2 A -75 )
     GLY(  2 A -74 )
     ALA(  2 A -73 )
     LEU(  2 A -72 )
     GLU(  2 A -71 )
     LEU(  2 A -70 )
     ILE(  2 A -69 )
     LYS(  2 A -68 )
     VAL(  2 A -67 )
     ARG(  2 A -66 )
     ARG(  2 A -65 )
     PRO(  2 A -64 )
     LYS(  2 A -63 )
     TYR(  2 A -62 )
     VAL(  2 A -61 )
     HIS(  2 A -60 )
     LYS(  2 A -59 )
     GLU(  2 A -58 )
     GLN(  2 A -57 )
     ILE(  2 A -56 )
     GLU(  2 A -55 )
     ALA(  2 A -54 )
     VAL(  2 A -53 )
     LYS(  2 A -52 )
     ASP(  2 A -51 )
     ASN(  2 A -50 )
     PHE(  2 A -49 )
     LEU(  2 A -48 )
     GLU(  2 A -47 )
     LEU(  2 A -46 )
     VAL(  2 A -45 )
     LEU(  2 A -44 )
     GLN(  2 A -43 )
     SER(  2 A -42 )
     TYR(  2 A -41 )
     VAL(  2 A -40 )
     HIS(  2 A -39 )
     HIS(  2 A -38 )
     ILE(  2 A -37 )
     HIS(  2 A -36 )
     LYS(  2 A -35 )
     LYS(  2 A -34 )
     ARG(  2 A -33 )
     PHE(  2 A -32 )
     LYS(  2 A -31 )
     ASP(  2 A -30 )
     ILE(  2 A -29 )
     THR(  2 A -28 )
     GLU(  2 A -27 )
     SER(  2 A -26 )
     VAL(  2 A -25 )
     LEU(  2 A -24 )
     TYR(  2 A -23 )
     THR(  2 A -22 )
     LEU(  2 A -21 )
     HIS(  2 A -20 )
     ALA(  2 A -19 )
     VAL(  2 A -18 )
     LYS(  2 A -17 )
     ASP(  2 A -16 )
     GLU(  2 A -15 )
     ILE(  2 A -14 )
     ALA(  2 A -13 )
     ARG(  2 A -12 )
     GLU(  2 A -11 )
     ASP(  2 A -10 )
     SER(  2 A  -9 )
     ARG(  2 A  -8 )
     LEU(  2 A  -7 )
     GLU(  2 A  -6 )
     HIS(  2 A  -5 )
     HIS(  2 A  -4 )
     HIS(  2 A  -3 )
     HIS(  2 A  -2 )
     HIS(  2 A  -1 )
     HIS(  2 A   0 )
     MET(  3 A-130 )
     LEU(  3 A-129 )
     SER(  3 A-128 )
     GLN(  3 A-127 )
     THR(  3 A-126 )
     LEU(  3 A-125 )
     LEU(  3 A-124 )
     GLU(  3 A-123 )
     MET(  3 A-122 )
     THR(  3 A-121 )
     GLU(  3 A-120 )
     GLN(  3 A-119 )
     MET(  3 A-118 )
     ILE(  3 A-117 )
     GLU(  3 A-116 )
     VAL(  3 A-115 )
     ALA(  3 A-114 )
     GLU(  3 A-113 )
     LYS(  3 A-112 )
     GLY(  3 A-111 )
     ALA(  3 A-110 )
     ASP(  3 A-109 )
     ARG(  3 A-108 )
     TYR(  3 A-107 )
     GLN(  3 A-106 )
     GLU(  3 A-105 )
     GLY(  3 A-104 )
     LYS(  3 A-103 )
     ASN(  3 A-102 )
     SER(  3 A-101 )
     ASN(  3 A-100 )
     HIS(  3 A -99 )
     SER(  3 A -98 )
     TYR(  3 A -97 )
     ASP(  3 A -96 )
     PHE(  3 A -95 )
     PHE(  3 A -94 )
     GLU(  3 A -93 )
     THR(  3 A -92 )
     ILE(  3 A -91 )
     LYS(  3 A -90 )
     PRO(  3 A -89 )
     ALA(  3 A -88 )
     VAL(  3 A -87 )
     GLU(  3 A -86 )
     GLU(  3 A -85 )
     ASN(  3 A -84 )
     ASP(  3 A -83 )
     GLU(  3 A -82 )
     LEU(  3 A -81 )
     ALA(  3 A -80 )
     ALA(  3 A -79 )
     ARG(  3 A -78 )
     TRP(  3 A -77 )
     ALA(  3 A -76 )
     GLU(  3 A -75 )
     GLY(  3 A -74 )
     ALA(  3 A -73 )
     LEU(  3 A -72 )
     GLU(  3 A -71 )
     LEU(  3 A -70 )
     ILE(  3 A -69 )
     LYS(  3 A -68 )
     VAL(  3 A -67 )
     ARG(  3 A -66 )
     ARG(  3 A -65 )
     PRO(  3 A -64 )
     LYS(  3 A -63 )
     TYR(  3 A -62 )
     VAL(  3 A -61 )
     HIS(  3 A -60 )
     LYS(  3 A -59 )
     GLU(  3 A -58 )
     GLN(  3 A -57 )
     ILE(  3 A -56 )
     GLU(  3 A -55 )
     ALA(  3 A -54 )
     VAL(  3 A -53 )
     LYS(  3 A -52 )
     ASP(  3 A -51 )
     ASN(  3 A -50 )
     PHE(  3 A -49 )
     LEU(  3 A -48 )
     GLU(  3 A -47 )
     LEU(  3 A -46 )
     VAL(  3 A -45 )
     LEU(  3 A -44 )
     GLN(  3 A -43 )
     SER(  3 A -42 )
     TYR(  3 A -41 )
     VAL(  3 A -40 )
     HIS(  3 A -39 )
     HIS(  3 A -38 )
     ILE(  3 A -37 )
     HIS(  3 A -36 )
     LYS(  3 A -35 )
     LYS(  3 A -34 )
     ARG(  3 A -33 )
     PHE(  3 A -32 )
     LYS(  3 A -31 )
     ASP(  3 A -30 )
     ILE(  3 A -29 )
     THR(  3 A -28 )
     GLU(  3 A -27 )
     SER(  3 A -26 )
     VAL(  3 A -25 )
     LEU(  3 A -24 )
     TYR(  3 A -23 )
     THR(  3 A -22 )
     LEU(  3 A -21 )
     HIS(  3 A -20 )
     ALA(  3 A -19 )
     VAL(  3 A -18 )
     LYS(  3 A -17 )
     ASP(  3 A -16 )
     GLU(  3 A -15 )
     ILE(  3 A -14 )
     ALA(  3 A -13 )
     ARG(  3 A -12 )
     GLU(  3 A -11 )
     ASP(  3 A -10 )
     SER(  3 A  -9 )
     ARG(  3 A  -8 )
     LEU(  3 A  -7 )
     GLU(  3 A  -6 )
     HIS(  3 A  -5 )
     HIS(  3 A  -4 )
     HIS(  3 A  -3 )
     HIS(  3 A  -2 )
     HIS(  3 A  -1 )
     HIS(  3 A   0 )
     MET(  4 A-130 )
     LEU(  4 A-129 )
     SER(  4 A-128 )
     GLN(  4 A-127 )
     THR(  4 A-126 )
     LEU(  4 A-125 )
     LEU(  4 A-124 )
     GLU(  4 A-123 )
     MET(  4 A-122 )
     THR(  4 A-121 )
     GLU(  4 A-120 )
     GLN(  4 A-119 )
     MET(  4 A-118 )
     ILE(  4 A-117 )
     GLU(  4 A-116 )
     VAL(  4 A-115 )
     ALA(  4 A-114 )
     GLU(  4 A-113 )
     LYS(  4 A-112 )
     GLY(  4 A-111 )
     ALA(  4 A-110 )
     ASP(  4 A-109 )
     ARG(  4 A-108 )
     TYR(  4 A-107 )
     GLN(  4 A-106 )
     GLU(  4 A-105 )
     GLY(  4 A-104 )
     LYS(  4 A-103 )
     ASN(  4 A-102 )
     SER(  4 A-101 )
     ASN(  4 A-100 )
     HIS(  4 A -99 )
     SER(  4 A -98 )
     TYR(  4 A -97 )
     ASP(  4 A -96 )
     PHE(  4 A -95 )
     PHE(  4 A -94 )
     GLU(  4 A -93 )
     THR(  4 A -92 )
     ILE(  4 A -91 )
     LYS(  4 A -90 )
     PRO(  4 A -89 )
     ALA(  4 A -88 )
     VAL(  4 A -87 )
     GLU(  4 A -86 )
     GLU(  4 A -85 )
     ASN(  4 A -84 )
     ASP(  4 A -83 )
     GLU(  4 A -82 )
     LEU(  4 A -81 )
     ALA(  4 A -80 )
     ALA(  4 A -79 )
     ARG(  4 A -78 )
     TRP(  4 A -77 )
     ALA(  4 A -76 )
     GLU(  4 A -75 )
     GLY(  4 A -74 )
     ALA(  4 A -73 )
     LEU(  4 A -72 )
     GLU(  4 A -71 )
     LEU(  4 A -70 )
     ILE(  4 A -69 )
     LYS(  4 A -68 )
     VAL(  4 A -67 )
     ARG(  4 A -66 )
     ARG(  4 A -65 )
     PRO(  4 A -64 )
     LYS(  4 A -63 )
     TYR(  4 A -62 )
     VAL(  4 A -61 )
     HIS(  4 A -60 )
     LYS(  4 A -59 )
     GLU(  4 A -58 )
     GLN(  4 A -57 )
     ILE(  4 A -56 )
     GLU(  4 A -55 )
     ALA(  4 A -54 )
     VAL(  4 A -53 )
     LYS(  4 A -52 )
     ASP(  4 A -51 )
     ASN(  4 A -50 )
     PHE(  4 A -49 )
     LEU(  4 A -48 )
     GLU(  4 A -47 )
     LEU(  4 A -46 )
     VAL(  4 A -45 )
     LEU(  4 A -44 )
     GLN(  4 A -43 )
     SER(  4 A -42 )
     TYR(  4 A -41 )
     VAL(  4 A -40 )
     HIS(  4 A -39 )
     HIS(  4 A -38 )
     ILE(  4 A -37 )
     HIS(  4 A -36 )
     LYS(  4 A -35 )
     LYS(  4 A -34 )
     ARG(  4 A -33 )
     PHE(  4 A -32 )
     LYS(  4 A -31 )
     ASP(  4 A -30 )
     ILE(  4 A -29 )
     THR(  4 A -28 )
     GLU(  4 A -27 )
     SER(  4 A -26 )
     VAL(  4 A -25 )
     LEU(  4 A -24 )
     TYR(  4 A -23 )
     THR(  4 A -22 )
     LEU(  4 A -21 )
     HIS(  4 A -20 )
     ALA(  4 A -19 )
     VAL(  4 A -18 )
     LYS(  4 A -17 )
     ASP(  4 A -16 )
     GLU(  4 A -15 )
     ILE(  4 A -14 )
     ALA(  4 A -13 )
     ARG(  4 A -12 )
     GLU(  4 A -11 )
     ASP(  4 A -10 )
     SER(  4 A  -9 )
     ARG(  4 A  -8 )
     LEU(  4 A  -7 )
     GLU(  4 A  -6 )
     HIS(  4 A  -5 )
     HIS(  4 A  -4 )
     HIS(  4 A  -3 )
     HIS(  4 A  -2 )
     HIS(  4 A  -1 )
     HIS(  4 A   0 )
     MET(  5 A-130 )
     LEU(  5 A-129 )
     SER(  5 A-128 )
     GLN(  5 A-127 )
     THR(  5 A-126 )
     LEU(  5 A-125 )
     LEU(  5 A-124 )
     GLU(  5 A-123 )
     MET(  5 A-122 )
     THR(  5 A-121 )
     GLU(  5 A-120 )
     GLN(  5 A-119 )
     MET(  5 A-118 )
     ILE(  5 A-117 )
     GLU(  5 A-116 )
     VAL(  5 A-115 )
     ALA(  5 A-114 )
     GLU(  5 A-113 )
     LYS(  5 A-112 )
     GLY(  5 A-111 )
     ALA(  5 A-110 )
     ASP(  5 A-109 )
     ARG(  5 A-108 )
     TYR(  5 A-107 )
     GLN(  5 A-106 )
     GLU(  5 A-105 )
     GLY(  5 A-104 )
     LYS(  5 A-103 )
     ASN(  5 A-102 )
     SER(  5 A-101 )
     ASN(  5 A-100 )
     HIS(  5 A -99 )
     SER(  5 A -98 )
     TYR(  5 A -97 )
     ASP(  5 A -96 )
     PHE(  5 A -95 )
     PHE(  5 A -94 )
     GLU(  5 A -93 )
     THR(  5 A -92 )
     ILE(  5 A -91 )
     LYS(  5 A -90 )
     PRO(  5 A -89 )
     ALA(  5 A -88 )
     VAL(  5 A -87 )
     GLU(  5 A -86 )
     GLU(  5 A -85 )
     ASN(  5 A -84 )
     ASP(  5 A -83 )
     GLU(  5 A -82 )
     LEU(  5 A -81 )
     ALA(  5 A -80 )
     ALA(  5 A -79 )
     ARG(  5 A -78 )
     TRP(  5 A -77 )
     ALA(  5 A -76 )
     GLU(  5 A -75 )
     GLY(  5 A -74 )
     ALA(  5 A -73 )
     LEU(  5 A -72 )
     GLU(  5 A -71 )
     LEU(  5 A -70 )
     ILE(  5 A -69 )
     LYS(  5 A -68 )
     VAL(  5 A -67 )
     ARG(  5 A -66 )
     ARG(  5 A -65 )
     PRO(  5 A -64 )
     LYS(  5 A -63 )
     TYR(  5 A -62 )
     VAL(  5 A -61 )
     HIS(  5 A -60 )
     LYS(  5 A -59 )
     GLU(  5 A -58 )
     GLN(  5 A -57 )
     ILE(  5 A -56 )
     GLU(  5 A -55 )
     ALA(  5 A -54 )
     VAL(  5 A -53 )
     LYS(  5 A -52 )
     ASP(  5 A -51 )
     ASN(  5 A -50 )
     PHE(  5 A -49 )
     LEU(  5 A -48 )
     GLU(  5 A -47 )
     LEU(  5 A -46 )
     VAL(  5 A -45 )
     LEU(  5 A -44 )
     GLN(  5 A -43 )
     SER(  5 A -42 )
     TYR(  5 A -41 )
     VAL(  5 A -40 )
     HIS(  5 A -39 )
     HIS(  5 A -38 )
     ILE(  5 A -37 )
     HIS(  5 A -36 )
     LYS(  5 A -35 )
     LYS(  5 A -34 )
     ARG(  5 A -33 )
     PHE(  5 A -32 )
     LYS(  5 A -31 )
     ASP(  5 A -30 )
     ILE(  5 A -29 )
     THR(  5 A -28 )
     GLU(  5 A -27 )
     SER(  5 A -26 )
     VAL(  5 A -25 )
     LEU(  5 A -24 )
     TYR(  5 A -23 )
     THR(  5 A -22 )
     LEU(  5 A -21 )
     HIS(  5 A -20 )
     ALA(  5 A -19 )
     VAL(  5 A -18 )
     LYS(  5 A -17 )
     ASP(  5 A -16 )
     GLU(  5 A -15 )
     ILE(  5 A -14 )
     ALA(  5 A -13 )
     ARG(  5 A -12 )
     GLU(  5 A -11 )
     ASP(  5 A -10 )
     SER(  5 A  -9 )
     ARG(  5 A  -8 )
     LEU(  5 A  -7 )
     GLU(  5 A  -6 )
     HIS(  5 A  -5 )
     HIS(  5 A  -4 )
     HIS(  5 A  -3 )
     HIS(  5 A  -2 )
     HIS(  5 A  -1 )
     HIS(  5 A   0 )
     MET(  6 A-130 )
     LEU(  6 A-129 )
     SER(  6 A-128 )
     GLN(  6 A-127 )
     THR(  6 A-126 )
     LEU(  6 A-125 )
     LEU(  6 A-124 )
     GLU(  6 A-123 )
     MET(  6 A-122 )
     THR(  6 A-121 )
     GLU(  6 A-120 )
     GLN(  6 A-119 )
     MET(  6 A-118 )
     ILE(  6 A-117 )
     GLU(  6 A-116 )
     VAL(  6 A-115 )
     ALA(  6 A-114 )
     GLU(  6 A-113 )
     LYS(  6 A-112 )
     GLY(  6 A-111 )
     ALA(  6 A-110 )
     ASP(  6 A-109 )
     ARG(  6 A-108 )
     TYR(  6 A-107 )
     GLN(  6 A-106 )
     GLU(  6 A-105 )
     GLY(  6 A-104 )
     LYS(  6 A-103 )
     ASN(  6 A-102 )
     SER(  6 A-101 )
     ASN(  6 A-100 )
     HIS(  6 A -99 )
     SER(  6 A -98 )
     TYR(  6 A -97 )
     ASP(  6 A -96 )
     PHE(  6 A -95 )
     PHE(  6 A -94 )
     GLU(  6 A -93 )
     THR(  6 A -92 )
     ILE(  6 A -91 )
     LYS(  6 A -90 )
     PRO(  6 A -89 )
     ALA(  6 A -88 )
     VAL(  6 A -87 )
     GLU(  6 A -86 )
     GLU(  6 A -85 )
     ASN(  6 A -84 )
     ASP(  6 A -83 )
     GLU(  6 A -82 )
     LEU(  6 A -81 )
     ALA(  6 A -80 )
     ALA(  6 A -79 )
     ARG(  6 A -78 )
     TRP(  6 A -77 )
     ALA(  6 A -76 )
     GLU(  6 A -75 )
     GLY(  6 A -74 )
     ALA(  6 A -73 )
     LEU(  6 A -72 )
     GLU(  6 A -71 )
     LEU(  6 A -70 )
     ILE(  6 A -69 )
     LYS(  6 A -68 )
     VAL(  6 A -67 )
     ARG(  6 A -66 )
     ARG(  6 A -65 )
     PRO(  6 A -64 )
     LYS(  6 A -63 )
     TYR(  6 A -62 )
     VAL(  6 A -61 )
     HIS(  6 A -60 )
     LYS(  6 A -59 )
     GLU(  6 A -58 )
     GLN(  6 A -57 )
     ILE(  6 A -56 )
     GLU(  6 A -55 )
     ALA(  6 A -54 )
     VAL(  6 A -53 )
     LYS(  6 A -52 )
     ASP(  6 A -51 )
     ASN(  6 A -50 )
     PHE(  6 A -49 )
     LEU(  6 A -48 )
     GLU(  6 A -47 )
     LEU(  6 A -46 )
     VAL(  6 A -45 )
     LEU(  6 A -44 )
     GLN(  6 A -43 )
     SER(  6 A -42 )
     TYR(  6 A -41 )
     VAL(  6 A -40 )
     HIS(  6 A -39 )
     HIS(  6 A -38 )
     ILE(  6 A -37 )
     HIS(  6 A -36 )
     LYS(  6 A -35 )
     LYS(  6 A -34 )
     ARG(  6 A -33 )
     PHE(  6 A -32 )
     LYS(  6 A -31 )
     ASP(  6 A -30 )
     ILE(  6 A -29 )
     THR(  6 A -28 )
     GLU(  6 A -27 )
     SER(  6 A -26 )
     VAL(  6 A -25 )
     LEU(  6 A -24 )
     TYR(  6 A -23 )
     THR(  6 A -22 )
     LEU(  6 A -21 )
     HIS(  6 A -20 )
     ALA(  6 A -19 )
     VAL(  6 A -18 )
     LYS(  6 A -17 )
     ASP(  6 A -16 )
     GLU(  6 A -15 )
     ILE(  6 A -14 )
     ALA(  6 A -13 )
     ARG(  6 A -12 )
     GLU(  6 A -11 )
     ASP(  6 A -10 )
     SER(  6 A  -9 )
     ARG(  6 A  -8 )
     LEU(  6 A  -7 )
     GLU(  6 A  -6 )
     HIS(  6 A  -5 )
     HIS(  6 A  -4 )
     HIS(  6 A  -3 )
     HIS(  6 A  -2 )
     HIS(  6 A  -1 )
     HIS(  6 A   0 )
     MET(  7 A-130 )
     LEU(  7 A-129 )
     SER(  7 A-128 )
     GLN(  7 A-127 )
     THR(  7 A-126 )
     LEU(  7 A-125 )
     LEU(  7 A-124 )
     GLU(  7 A-123 )
     MET(  7 A-122 )
     THR(  7 A-121 )
     GLU(  7 A-120 )
     GLN(  7 A-119 )
     MET(  7 A-118 )
     ILE(  7 A-117 )
     GLU(  7 A-116 )
     VAL(  7 A-115 )
     ALA(  7 A-114 )
     GLU(  7 A-113 )
     LYS(  7 A-112 )
     GLY(  7 A-111 )
     ALA(  7 A-110 )
     ASP(  7 A-109 )
     ARG(  7 A-108 )
     TYR(  7 A-107 )
     GLN(  7 A-106 )
     GLU(  7 A-105 )
     GLY(  7 A-104 )
     LYS(  7 A-103 )
     ASN(  7 A-102 )
     SER(  7 A-101 )
     ASN(  7 A-100 )
     HIS(  7 A -99 )
     SER(  7 A -98 )
     TYR(  7 A -97 )
     ASP(  7 A -96 )
     PHE(  7 A -95 )
     PHE(  7 A -94 )
     GLU(  7 A -93 )
     THR(  7 A -92 )
     ILE(  7 A -91 )
     LYS(  7 A -90 )
     PRO(  7 A -89 )
     ALA(  7 A -88 )
     VAL(  7 A -87 )
     GLU(  7 A -86 )
     GLU(  7 A -85 )
     ASN(  7 A -84 )
     ASP(  7 A -83 )
     GLU(  7 A -82 )
     LEU(  7 A -81 )
     ALA(  7 A -80 )
     ALA(  7 A -79 )
     ARG(  7 A -78 )
     TRP(  7 A -77 )
     ALA(  7 A -76 )
     GLU(  7 A -75 )
     GLY(  7 A -74 )
     ALA(  7 A -73 )
     LEU(  7 A -72 )
     GLU(  7 A -71 )
     LEU(  7 A -70 )
     ILE(  7 A -69 )
     LYS(  7 A -68 )
     VAL(  7 A -67 )
     ARG(  7 A -66 )
     ARG(  7 A -65 )
     PRO(  7 A -64 )
     LYS(  7 A -63 )
     TYR(  7 A -62 )
     VAL(  7 A -61 )
     HIS(  7 A -60 )
     LYS(  7 A -59 )
     GLU(  7 A -58 )
     GLN(  7 A -57 )
     ILE(  7 A -56 )
     GLU(  7 A -55 )
     ALA(  7 A -54 )
     VAL(  7 A -53 )
     LYS(  7 A -52 )
     ASP(  7 A -51 )
     ASN(  7 A -50 )
     PHE(  7 A -49 )
     LEU(  7 A -48 )
     GLU(  7 A -47 )
     LEU(  7 A -46 )
     VAL(  7 A -45 )
     LEU(  7 A -44 )
     GLN(  7 A -43 )
     SER(  7 A -42 )
     TYR(  7 A -41 )
     VAL(  7 A -40 )
     HIS(  7 A -39 )
     HIS(  7 A -38 )
     ILE(  7 A -37 )
     HIS(  7 A -36 )
     LYS(  7 A -35 )
     LYS(  7 A -34 )
     ARG(  7 A -33 )
     PHE(  7 A -32 )
     LYS(  7 A -31 )
     ASP(  7 A -30 )
     ILE(  7 A -29 )
     THR(  7 A -28 )
     GLU(  7 A -27 )
     SER(  7 A -26 )
     VAL(  7 A -25 )
     LEU(  7 A -24 )
     TYR(  7 A -23 )
     THR(  7 A -22 )
     LEU(  7 A -21 )
     HIS(  7 A -20 )
     ALA(  7 A -19 )
     VAL(  7 A -18 )
     LYS(  7 A -17 )
     ASP(  7 A -16 )
     GLU(  7 A -15 )
     ILE(  7 A -14 )
     ALA(  7 A -13 )
     ARG(  7 A -12 )
     GLU(  7 A -11 )
     ASP(  7 A -10 )
     SER(  7 A  -9 )
     ARG(  7 A  -8 )
     LEU(  7 A  -7 )
     GLU(  7 A  -6 )
     HIS(  7 A  -5 )
     HIS(  7 A  -4 )
     HIS(  7 A  -3 )
     HIS(  7 A  -2 )
     HIS(  7 A  -1 )
     HIS(  7 A   0 )
     MET(  8 A-130 )
     LEU(  8 A-129 )
     SER(  8 A-128 )
     GLN(  8 A-127 )
     THR(  8 A-126 )
     LEU(  8 A-125 )
     LEU(  8 A-124 )
     GLU(  8 A-123 )
     MET(  8 A-122 )
     THR(  8 A-121 )
     GLU(  8 A-120 )
     GLN(  8 A-119 )
     MET(  8 A-118 )
     ILE(  8 A-117 )
     GLU(  8 A-116 )
     VAL(  8 A-115 )
     ALA(  8 A-114 )
     GLU(  8 A-113 )
     LYS(  8 A-112 )
     GLY(  8 A-111 )
     ALA(  8 A-110 )
     ASP(  8 A-109 )
     ARG(  8 A-108 )
     TYR(  8 A-107 )
     GLN(  8 A-106 )
     GLU(  8 A-105 )
     GLY(  8 A-104 )
     LYS(  8 A-103 )
     ASN(  8 A-102 )
     SER(  8 A-101 )
     ASN(  8 A-100 )
     HIS(  8 A -99 )
     SER(  8 A -98 )
     TYR(  8 A -97 )
     ASP(  8 A -96 )
     PHE(  8 A -95 )
     PHE(  8 A -94 )
     GLU(  8 A -93 )
     THR(  8 A -92 )
     ILE(  8 A -91 )
     LYS(  8 A -90 )
     PRO(  8 A -89 )
     ALA(  8 A -88 )
     VAL(  8 A -87 )
     GLU(  8 A -86 )
     GLU(  8 A -85 )
     ASN(  8 A -84 )
     ASP(  8 A -83 )
     GLU(  8 A -82 )
     LEU(  8 A -81 )
     ALA(  8 A -80 )
     ALA(  8 A -79 )
     ARG(  8 A -78 )
     TRP(  8 A -77 )
     ALA(  8 A -76 )
     GLU(  8 A -75 )
     GLY(  8 A -74 )
     ALA(  8 A -73 )
     LEU(  8 A -72 )
     GLU(  8 A -71 )
     LEU(  8 A -70 )
     ILE(  8 A -69 )
     LYS(  8 A -68 )
     VAL(  8 A -67 )
     ARG(  8 A -66 )
     ARG(  8 A -65 )
     PRO(  8 A -64 )
     LYS(  8 A -63 )
     TYR(  8 A -62 )
     VAL(  8 A -61 )
     HIS(  8 A -60 )
     LYS(  8 A -59 )
     GLU(  8 A -58 )
     GLN(  8 A -57 )
     ILE(  8 A -56 )
     GLU(  8 A -55 )
     ALA(  8 A -54 )
     VAL(  8 A -53 )
     LYS(  8 A -52 )
     ASP(  8 A -51 )
     ASN(  8 A -50 )
     PHE(  8 A -49 )
     LEU(  8 A -48 )
     GLU(  8 A -47 )
     LEU(  8 A -46 )
     VAL(  8 A -45 )
     LEU(  8 A -44 )
     GLN(  8 A -43 )
     SER(  8 A -42 )
     TYR(  8 A -41 )
     VAL(  8 A -40 )
     HIS(  8 A -39 )
     HIS(  8 A -38 )
     ILE(  8 A -37 )
     HIS(  8 A -36 )
     LYS(  8 A -35 )
     LYS(  8 A -34 )
     ARG(  8 A -33 )
     PHE(  8 A -32 )
     LYS(  8 A -31 )
     ASP(  8 A -30 )
     ILE(  8 A -29 )
     THR(  8 A -28 )
     GLU(  8 A -27 )
     SER(  8 A -26 )
     VAL(  8 A -25 )
     LEU(  8 A -24 )
     TYR(  8 A -23 )
     THR(  8 A -22 )
     LEU(  8 A -21 )
     HIS(  8 A -20 )
     ALA(  8 A -19 )
     VAL(  8 A -18 )
     LYS(  8 A -17 )
     ASP(  8 A -16 )
     GLU(  8 A -15 )
     ILE(  8 A -14 )
     ALA(  8 A -13 )
     ARG(  8 A -12 )
     GLU(  8 A -11 )
     ASP(  8 A -10 )
     SER(  8 A  -9 )
     ARG(  8 A  -8 )
     LEU(  8 A  -7 )
     GLU(  8 A  -6 )
     HIS(  8 A  -5 )
     HIS(  8 A  -4 )
     HIS(  8 A  -3 )
     HIS(  8 A  -2 )
     HIS(  8 A  -1 )
     HIS(  8 A   0 )
     MET(  9 A-130 )
     LEU(  9 A-129 )
     SER(  9 A-128 )
     GLN(  9 A-127 )
     THR(  9 A-126 )
     LEU(  9 A-125 )
     LEU(  9 A-124 )
     GLU(  9 A-123 )
     MET(  9 A-122 )
     THR(  9 A-121 )
     GLU(  9 A-120 )
     GLN(  9 A-119 )
     MET(  9 A-118 )
     ILE(  9 A-117 )
     GLU(  9 A-116 )
     VAL(  9 A-115 )
     ALA(  9 A-114 )
     GLU(  9 A-113 )
     LYS(  9 A-112 )
     GLY(  9 A-111 )
     ALA(  9 A-110 )
     ASP(  9 A-109 )
     ARG(  9 A-108 )
     TYR(  9 A-107 )
     GLN(  9 A-106 )
     GLU(  9 A-105 )
     GLY(  9 A-104 )
     LYS(  9 A-103 )
     ASN(  9 A-102 )
     SER(  9 A-101 )
     ASN(  9 A-100 )
     HIS(  9 A -99 )
     SER(  9 A -98 )
     TYR(  9 A -97 )
     ASP(  9 A -96 )
     PHE(  9 A -95 )
     PHE(  9 A -94 )
     GLU(  9 A -93 )
     THR(  9 A -92 )
     ILE(  9 A -91 )
     LYS(  9 A -90 )
     PRO(  9 A -89 )
     ALA(  9 A -88 )
     VAL(  9 A -87 )
     GLU(  9 A -86 )
     GLU(  9 A -85 )
     ASN(  9 A -84 )
     ASP(  9 A -83 )
     GLU(  9 A -82 )
     LEU(  9 A -81 )
     ALA(  9 A -80 )
     ALA(  9 A -79 )
     ARG(  9 A -78 )
     TRP(  9 A -77 )
     ALA(  9 A -76 )
     GLU(  9 A -75 )
     GLY(  9 A -74 )
     ALA(  9 A -73 )
     LEU(  9 A -72 )
     GLU(  9 A -71 )
     LEU(  9 A -70 )
     ILE(  9 A -69 )
     LYS(  9 A -68 )
     VAL(  9 A -67 )
     ARG(  9 A -66 )
     ARG(  9 A -65 )
     PRO(  9 A -64 )
     LYS(  9 A -63 )
     TYR(  9 A -62 )
     VAL(  9 A -61 )
     HIS(  9 A -60 )
     LYS(  9 A -59 )
     GLU(  9 A -58 )
     GLN(  9 A -57 )
     ILE(  9 A -56 )
     GLU(  9 A -55 )
     ALA(  9 A -54 )
     VAL(  9 A -53 )
     LYS(  9 A -52 )
     ASP(  9 A -51 )
     ASN(  9 A -50 )
     PHE(  9 A -49 )
     LEU(  9 A -48 )
     GLU(  9 A -47 )
     LEU(  9 A -46 )
     VAL(  9 A -45 )
     LEU(  9 A -44 )
     GLN(  9 A -43 )
     SER(  9 A -42 )
     TYR(  9 A -41 )
     VAL(  9 A -40 )
     HIS(  9 A -39 )
     HIS(  9 A -38 )
     ILE(  9 A -37 )
     HIS(  9 A -36 )
     LYS(  9 A -35 )
     LYS(  9 A -34 )
     ARG(  9 A -33 )
     PHE(  9 A -32 )
     LYS(  9 A -31 )
     ASP(  9 A -30 )
     ILE(  9 A -29 )
     THR(  9 A -28 )
     GLU(  9 A -27 )
     SER(  9 A -26 )
     VAL(  9 A -25 )
     LEU(  9 A -24 )
     TYR(  9 A -23 )
     THR(  9 A -22 )
     LEU(  9 A -21 )
     HIS(  9 A -20 )
     ALA(  9 A -19 )
     VAL(  9 A -18 )
     LYS(  9 A -17 )
     ASP(  9 A -16 )
     GLU(  9 A -15 )
     ILE(  9 A -14 )
     ALA(  9 A -13 )
     ARG(  9 A -12 )
     GLU(  9 A -11 )
     ASP(  9 A -10 )
     SER(  9 A  -9 )
     ARG(  9 A  -8 )
     LEU(  9 A  -7 )
     GLU(  9 A  -6 )
     HIS(  9 A  -5 )
     HIS(  9 A  -4 )
     HIS(  9 A  -3 )
     HIS(  9 A  -2 )
     HIS(  9 A  -1 )
     HIS(  9 A   0 )
     MET( 10 A-130 )
     LEU( 10 A-129 )
     SER( 10 A-128 )
     GLN( 10 A-127 )
     THR( 10 A-126 )
     LEU( 10 A-125 )
     LEU( 10 A-124 )
     GLU( 10 A-123 )
     MET( 10 A-122 )
     THR( 10 A-121 )
     GLU( 10 A-120 )
     GLN( 10 A-119 )
     MET( 10 A-118 )
     ILE( 10 A-117 )
     GLU( 10 A-116 )
     VAL( 10 A-115 )
     ALA( 10 A-114 )
     GLU( 10 A-113 )
     LYS( 10 A-112 )
     GLY( 10 A-111 )
     ALA( 10 A-110 )
     ASP( 10 A-109 )
     ARG( 10 A-108 )
     TYR( 10 A-107 )
     GLN( 10 A-106 )
     GLU( 10 A-105 )
     GLY( 10 A-104 )
     LYS( 10 A-103 )
     ASN( 10 A-102 )
     SER( 10 A-101 )
     ASN( 10 A-100 )
     HIS( 10 A -99 )
     SER( 10 A -98 )
     TYR( 10 A -97 )
     ASP( 10 A -96 )
     PHE( 10 A -95 )
     PHE( 10 A -94 )
     GLU( 10 A -93 )
     THR( 10 A -92 )
     ILE( 10 A -91 )
     LYS( 10 A -90 )
     PRO( 10 A -89 )
     ALA( 10 A -88 )
     VAL( 10 A -87 )
     GLU( 10 A -86 )
     GLU( 10 A -85 )
     ASN( 10 A -84 )
     ASP( 10 A -83 )
     GLU( 10 A -82 )
     LEU( 10 A -81 )
     ALA( 10 A -80 )
     ALA( 10 A -79 )
     ARG( 10 A -78 )
     TRP( 10 A -77 )
     ALA( 10 A -76 )
     GLU( 10 A -75 )
     GLY( 10 A -74 )
     ALA( 10 A -73 )
     LEU( 10 A -72 )
     GLU( 10 A -71 )
     LEU( 10 A -70 )
     ILE( 10 A -69 )
     LYS( 10 A -68 )
     VAL( 10 A -67 )
     ARG( 10 A -66 )
     ARG( 10 A -65 )
     PRO( 10 A -64 )
     LYS( 10 A -63 )
     TYR( 10 A -62 )
     VAL( 10 A -61 )
     HIS( 10 A -60 )
     LYS( 10 A -59 )
     GLU( 10 A -58 )
     GLN( 10 A -57 )
     ILE( 10 A -56 )
     GLU( 10 A -55 )
     ALA( 10 A -54 )
     VAL( 10 A -53 )
     LYS( 10 A -52 )
     ASP( 10 A -51 )
     ASN( 10 A -50 )
     PHE( 10 A -49 )
     LEU( 10 A -48 )
     GLU( 10 A -47 )
     LEU( 10 A -46 )
     VAL( 10 A -45 )
     LEU( 10 A -44 )
     GLN( 10 A -43 )
     SER( 10 A -42 )
     TYR( 10 A -41 )
     VAL( 10 A -40 )
     HIS( 10 A -39 )
     HIS( 10 A -38 )
     ILE( 10 A -37 )
     HIS( 10 A -36 )
     LYS( 10 A -35 )
     LYS( 10 A -34 )
     ARG( 10 A -33 )
     PHE( 10 A -32 )
     LYS( 10 A -31 )
     ASP( 10 A -30 )
     ILE( 10 A -29 )
     THR( 10 A -28 )
     GLU( 10 A -27 )
     SER( 10 A -26 )
     VAL( 10 A -25 )
     LEU( 10 A -24 )
     TYR( 10 A -23 )
     THR( 10 A -22 )
     LEU( 10 A -21 )
     HIS( 10 A -20 )
     ALA( 10 A -19 )
     VAL( 10 A -18 )
     LYS( 10 A -17 )
     ASP( 10 A -16 )
     GLU( 10 A -15 )
     ILE( 10 A -14 )
     ALA( 10 A -13 )
     ARG( 10 A -12 )
     GLU( 10 A -11 )
     ASP( 10 A -10 )
     SER( 10 A  -9 )
     ARG( 10 A  -8 )
     LEU( 10 A  -7 )
     GLU( 10 A  -6 )
     HIS( 10 A  -5 )
     HIS( 10 A  -4 )
     HIS( 10 A  -3 )
     HIS( 10 A  -2 )
     HIS( 10 A  -1 )
     HIS( 10 A   0 )
     MET( 11 A-130 )
     LEU( 11 A-129 )
     SER( 11 A-128 )
     GLN( 11 A-127 )
     THR( 11 A-126 )
     LEU( 11 A-125 )
     LEU( 11 A-124 )
     GLU( 11 A-123 )
     MET( 11 A-122 )
     THR( 11 A-121 )
     GLU( 11 A-120 )
     GLN( 11 A-119 )
     MET( 11 A-118 )
     ILE( 11 A-117 )
     GLU( 11 A-116 )
     VAL( 11 A-115 )
     ALA( 11 A-114 )
     GLU( 11 A-113 )
     LYS( 11 A-112 )
     GLY( 11 A-111 )
     ALA( 11 A-110 )
     ASP( 11 A-109 )
     ARG( 11 A-108 )
     TYR( 11 A-107 )
     GLN( 11 A-106 )
     GLU( 11 A-105 )
     GLY( 11 A-104 )
     LYS( 11 A-103 )
     ASN( 11 A-102 )
     SER( 11 A-101 )
     ASN( 11 A-100 )
     HIS( 11 A -99 )
     SER( 11 A -98 )
     TYR( 11 A -97 )
     ASP( 11 A -96 )
     PHE( 11 A -95 )
     PHE( 11 A -94 )
     GLU( 11 A -93 )
     THR( 11 A -92 )
     ILE( 11 A -91 )
     LYS( 11 A -90 )
     PRO( 11 A -89 )
     ALA( 11 A -88 )
     VAL( 11 A -87 )
     GLU( 11 A -86 )
     GLU( 11 A -85 )
     ASN( 11 A -84 )
     ASP( 11 A -83 )
     GLU( 11 A -82 )
     LEU( 11 A -81 )
     ALA( 11 A -80 )
     ALA( 11 A -79 )
     ARG( 11 A -78 )
     TRP( 11 A -77 )
     ALA( 11 A -76 )
     GLU( 11 A -75 )
     GLY( 11 A -74 )
     ALA( 11 A -73 )
     LEU( 11 A -72 )
     GLU( 11 A -71 )
     LEU( 11 A -70 )
     ILE( 11 A -69 )
     LYS( 11 A -68 )
     VAL( 11 A -67 )
     ARG( 11 A -66 )
     ARG( 11 A -65 )
     PRO( 11 A -64 )
     LYS( 11 A -63 )
     TYR( 11 A -62 )
     VAL( 11 A -61 )
     HIS( 11 A -60 )
     LYS( 11 A -59 )
     GLU( 11 A -58 )
     GLN( 11 A -57 )
     ILE( 11 A -56 )
     GLU( 11 A -55 )
     ALA( 11 A -54 )
     VAL( 11 A -53 )
     LYS( 11 A -52 )
     ASP( 11 A -51 )
     ASN( 11 A -50 )
     PHE( 11 A -49 )
     LEU( 11 A -48 )
     GLU( 11 A -47 )
     LEU( 11 A -46 )
     VAL( 11 A -45 )
     LEU( 11 A -44 )
     GLN( 11 A -43 )
     SER( 11 A -42 )
     TYR( 11 A -41 )
     VAL( 11 A -40 )
     HIS( 11 A -39 )
     HIS( 11 A -38 )
     ILE( 11 A -37 )
     HIS( 11 A -36 )
     LYS( 11 A -35 )
     LYS( 11 A -34 )
     ARG( 11 A -33 )
     PHE( 11 A -32 )
     LYS( 11 A -31 )
     ASP( 11 A -30 )
     ILE( 11 A -29 )
     THR( 11 A -28 )
     GLU( 11 A -27 )
     SER( 11 A -26 )
     VAL( 11 A -25 )
     LEU( 11 A -24 )
     TYR( 11 A -23 )
     THR( 11 A -22 )
     LEU( 11 A -21 )
     HIS( 11 A -20 )
     ALA( 11 A -19 )
     VAL( 11 A -18 )
     LYS( 11 A -17 )
     ASP( 11 A -16 )
     GLU( 11 A -15 )
     ILE( 11 A -14 )
     ALA( 11 A -13 )
     ARG( 11 A -12 )
     GLU( 11 A -11 )
     ASP( 11 A -10 )
     SER( 11 A  -9 )
     ARG( 11 A  -8 )
     LEU( 11 A  -7 )
     GLU( 11 A  -6 )
     HIS( 11 A  -5 )
     HIS( 11 A  -4 )
     HIS( 11 A  -3 )
     HIS( 11 A  -2 )
     HIS( 11 A  -1 )
     HIS( 11 A   0 )
     MET( 12 A-130 )
     LEU( 12 A-129 )
     SER( 12 A-128 )
     GLN( 12 A-127 )
     THR( 12 A-126 )
     LEU( 12 A-125 )
     LEU( 12 A-124 )
     GLU( 12 A-123 )
     MET( 12 A-122 )
     THR( 12 A-121 )
     GLU( 12 A-120 )
     GLN( 12 A-119 )
     MET( 12 A-118 )
     ILE( 12 A-117 )
     GLU( 12 A-116 )
     VAL( 12 A-115 )
     ALA( 12 A-114 )
     GLU( 12 A-113 )
     LYS( 12 A-112 )
     GLY( 12 A-111 )
     ALA( 12 A-110 )
     ASP( 12 A-109 )
     ARG( 12 A-108 )
     TYR( 12 A-107 )
     GLN( 12 A-106 )
     GLU( 12 A-105 )
     GLY( 12 A-104 )
     LYS( 12 A-103 )
     ASN( 12 A-102 )
     SER( 12 A-101 )
     ASN( 12 A-100 )
     HIS( 12 A -99 )
     SER( 12 A -98 )
     TYR( 12 A -97 )
     ASP( 12 A -96 )
     PHE( 12 A -95 )
     PHE( 12 A -94 )
     GLU( 12 A -93 )
     THR( 12 A -92 )
     ILE( 12 A -91 )
     LYS( 12 A -90 )
     PRO( 12 A -89 )
     ALA( 12 A -88 )
     VAL( 12 A -87 )
     GLU( 12 A -86 )
     GLU( 12 A -85 )
     ASN( 12 A -84 )
     ASP( 12 A -83 )
     GLU( 12 A -82 )
     LEU( 12 A -81 )
     ALA( 12 A -80 )
     ALA( 12 A -79 )
     ARG( 12 A -78 )
     TRP( 12 A -77 )
     ALA( 12 A -76 )
     GLU( 12 A -75 )
     GLY( 12 A -74 )
     ALA( 12 A -73 )
     LEU( 12 A -72 )
     GLU( 12 A -71 )
     LEU( 12 A -70 )
     ILE( 12 A -69 )
     LYS( 12 A -68 )
     VAL( 12 A -67 )
     ARG( 12 A -66 )
     ARG( 12 A -65 )
     PRO( 12 A -64 )
     LYS( 12 A -63 )
     TYR( 12 A -62 )
     VAL( 12 A -61 )
     HIS( 12 A -60 )
     LYS( 12 A -59 )
     GLU( 12 A -58 )
     GLN( 12 A -57 )
     ILE( 12 A -56 )
     GLU( 12 A -55 )
     ALA( 12 A -54 )
     VAL( 12 A -53 )
     LYS( 12 A -52 )
     ASP( 12 A -51 )
     ASN( 12 A -50 )
     PHE( 12 A -49 )
     LEU( 12 A -48 )
     GLU( 12 A -47 )
     LEU( 12 A -46 )
     VAL( 12 A -45 )
     LEU( 12 A -44 )
     GLN( 12 A -43 )
     SER( 12 A -42 )
     TYR( 12 A -41 )
     VAL( 12 A -40 )
     HIS( 12 A -39 )
     HIS( 12 A -38 )
     ILE( 12 A -37 )
     HIS( 12 A -36 )
     LYS( 12 A -35 )
     LYS( 12 A -34 )
     ARG( 12 A -33 )
     PHE( 12 A -32 )
     LYS( 12 A -31 )
     ASP( 12 A -30 )
     ILE( 12 A -29 )
     THR( 12 A -28 )
     GLU( 12 A -27 )
     SER( 12 A -26 )
     VAL( 12 A -25 )
     LEU( 12 A -24 )
     TYR( 12 A -23 )
     THR( 12 A -22 )
     LEU( 12 A -21 )
     HIS( 12 A -20 )
     ALA( 12 A -19 )
     VAL( 12 A -18 )
     LYS( 12 A -17 )
     ASP( 12 A -16 )
     GLU( 12 A -15 )
     ILE( 12 A -14 )
     ALA( 12 A -13 )
     ARG( 12 A -12 )
     GLU( 12 A -11 )
     ASP( 12 A -10 )
     SER( 12 A  -9 )
     ARG( 12 A  -8 )
     LEU( 12 A  -7 )
     GLU( 12 A  -6 )
     HIS( 12 A  -5 )
     HIS( 12 A  -4 )
     HIS( 12 A  -3 )
     HIS( 12 A  -2 )
     HIS( 12 A  -1 )
     HIS( 12 A   0 )
     MET( 13 A-130 )
     LEU( 13 A-129 )
     SER( 13 A-128 )
     GLN( 13 A-127 )
     THR( 13 A-126 )
     LEU( 13 A-125 )
     LEU( 13 A-124 )
     GLU( 13 A-123 )
     MET( 13 A-122 )
     THR( 13 A-121 )
     GLU( 13 A-120 )
     GLN( 13 A-119 )
     MET( 13 A-118 )
     ILE( 13 A-117 )
     GLU( 13 A-116 )
     VAL( 13 A-115 )
     ALA( 13 A-114 )
     GLU( 13 A-113 )
     LYS( 13 A-112 )
     GLY( 13 A-111 )
     ALA( 13 A-110 )
     ASP( 13 A-109 )
     ARG( 13 A-108 )
     TYR( 13 A-107 )
     GLN( 13 A-106 )
     GLU( 13 A-105 )
     GLY( 13 A-104 )
     LYS( 13 A-103 )
     ASN( 13 A-102 )
     SER( 13 A-101 )
     ASN( 13 A-100 )
     HIS( 13 A -99 )
     SER( 13 A -98 )
     TYR( 13 A -97 )
     ASP( 13 A -96 )
     PHE( 13 A -95 )
     PHE( 13 A -94 )
     GLU( 13 A -93 )
     THR( 13 A -92 )
     ILE( 13 A -91 )
     LYS( 13 A -90 )
     PRO( 13 A -89 )
     ALA( 13 A -88 )
     VAL( 13 A -87 )
     GLU( 13 A -86 )
     GLU( 13 A -85 )
     ASN( 13 A -84 )
     ASP( 13 A -83 )
     GLU( 13 A -82 )
     LEU( 13 A -81 )
     ALA( 13 A -80 )
     ALA( 13 A -79 )
     ARG( 13 A -78 )
     TRP( 13 A -77 )
     ALA( 13 A -76 )
     GLU( 13 A -75 )
     GLY( 13 A -74 )
     ALA( 13 A -73 )
     LEU( 13 A -72 )
     GLU( 13 A -71 )
     LEU( 13 A -70 )
     ILE( 13 A -69 )
     LYS( 13 A -68 )
     VAL( 13 A -67 )
     ARG( 13 A -66 )
     ARG( 13 A -65 )
     PRO( 13 A -64 )
     LYS( 13 A -63 )
     TYR( 13 A -62 )
     VAL( 13 A -61 )
     HIS( 13 A -60 )
     LYS( 13 A -59 )
     GLU( 13 A -58 )
     GLN( 13 A -57 )
     ILE( 13 A -56 )
     GLU( 13 A -55 )
     ALA( 13 A -54 )
     VAL( 13 A -53 )
     LYS( 13 A -52 )
     ASP( 13 A -51 )
     ASN( 13 A -50 )
     PHE( 13 A -49 )
     LEU( 13 A -48 )
     GLU( 13 A -47 )
     LEU( 13 A -46 )
     VAL( 13 A -45 )
     LEU( 13 A -44 )
     GLN( 13 A -43 )
     SER( 13 A -42 )
     TYR( 13 A -41 )
     VAL( 13 A -40 )
     HIS( 13 A -39 )
     HIS( 13 A -38 )
     ILE( 13 A -37 )
     HIS( 13 A -36 )
     LYS( 13 A -35 )
     LYS( 13 A -34 )
     ARG( 13 A -33 )
     PHE( 13 A -32 )
     LYS( 13 A -31 )
     ASP( 13 A -30 )
     ILE( 13 A -29 )
     THR( 13 A -28 )
     GLU( 13 A -27 )
     SER( 13 A -26 )
     VAL( 13 A -25 )
     LEU( 13 A -24 )
     TYR( 13 A -23 )
     THR( 13 A -22 )
     LEU( 13 A -21 )
     HIS( 13 A -20 )
     ALA( 13 A -19 )
     VAL( 13 A -18 )
     LYS( 13 A -17 )
     ASP( 13 A -16 )
     GLU( 13 A -15 )
     ILE( 13 A -14 )
     ALA( 13 A -13 )
     ARG( 13 A -12 )
     GLU( 13 A -11 )
     ASP( 13 A -10 )
     SER( 13 A  -9 )
     ARG( 13 A  -8 )
     LEU( 13 A  -7 )
     GLU( 13 A  -6 )
     HIS( 13 A  -5 )
     HIS( 13 A  -4 )
     HIS( 13 A  -3 )
     HIS( 13 A  -2 )
     HIS( 13 A  -1 )
     HIS( 13 A   0 )
     MET( 14 A-130 )
     LEU( 14 A-129 )
     SER( 14 A-128 )
     GLN( 14 A-127 )
     THR( 14 A-126 )
     LEU( 14 A-125 )
     LEU( 14 A-124 )
     GLU( 14 A-123 )
     MET( 14 A-122 )
     THR( 14 A-121 )
     GLU( 14 A-120 )
     GLN( 14 A-119 )
     MET( 14 A-118 )
     ILE( 14 A-117 )
     GLU( 14 A-116 )
     VAL( 14 A-115 )
     ALA( 14 A-114 )
     GLU( 14 A-113 )
     LYS( 14 A-112 )
     GLY( 14 A-111 )
     ALA( 14 A-110 )
     ASP( 14 A-109 )
     ARG( 14 A-108 )
     TYR( 14 A-107 )
     GLN( 14 A-106 )
     GLU( 14 A-105 )
     GLY( 14 A-104 )
     LYS( 14 A-103 )
     ASN( 14 A-102 )
     SER( 14 A-101 )
     ASN( 14 A-100 )
     HIS( 14 A -99 )
     SER( 14 A -98 )
     TYR( 14 A -97 )
     ASP( 14 A -96 )
     PHE( 14 A -95 )
     PHE( 14 A -94 )
     GLU( 14 A -93 )
     THR( 14 A -92 )
     ILE( 14 A -91 )
     LYS( 14 A -90 )
     PRO( 14 A -89 )
     ALA( 14 A -88 )
     VAL( 14 A -87 )
     GLU( 14 A -86 )
     GLU( 14 A -85 )
     ASN( 14 A -84 )
     ASP( 14 A -83 )
     GLU( 14 A -82 )
     LEU( 14 A -81 )
     ALA( 14 A -80 )
     ALA( 14 A -79 )
     ARG( 14 A -78 )
     TRP( 14 A -77 )
     ALA( 14 A -76 )
     GLU( 14 A -75 )
     GLY( 14 A -74 )
     ALA( 14 A -73 )
     LEU( 14 A -72 )
     GLU( 14 A -71 )
     LEU( 14 A -70 )
     ILE( 14 A -69 )
     LYS( 14 A -68 )
     VAL( 14 A -67 )
     ARG( 14 A -66 )
     ARG( 14 A -65 )
     PRO( 14 A -64 )
     LYS( 14 A -63 )
     TYR( 14 A -62 )
     VAL( 14 A -61 )
     HIS( 14 A -60 )
     LYS( 14 A -59 )
     GLU( 14 A -58 )
     GLN( 14 A -57 )
     ILE( 14 A -56 )
     GLU( 14 A -55 )
     ALA( 14 A -54 )
     VAL( 14 A -53 )
     LYS( 14 A -52 )
     ASP( 14 A -51 )
     ASN( 14 A -50 )
     PHE( 14 A -49 )
     LEU( 14 A -48 )
     GLU( 14 A -47 )
     LEU( 14 A -46 )
     VAL( 14 A -45 )
     LEU( 14 A -44 )
     GLN( 14 A -43 )
     SER( 14 A -42 )
     TYR( 14 A -41 )
     VAL( 14 A -40 )
     HIS( 14 A -39 )
     HIS( 14 A -38 )
     ILE( 14 A -37 )
     HIS( 14 A -36 )
     LYS( 14 A -35 )
     LYS( 14 A -34 )
     ARG( 14 A -33 )
     PHE( 14 A -32 )
     LYS( 14 A -31 )
     ASP( 14 A -30 )
     ILE( 14 A -29 )
     THR( 14 A -28 )
     GLU( 14 A -27 )
     SER( 14 A -26 )
     VAL( 14 A -25 )
     LEU( 14 A -24 )
     TYR( 14 A -23 )
     THR( 14 A -22 )
     LEU( 14 A -21 )
     HIS( 14 A -20 )
     ALA( 14 A -19 )
     VAL( 14 A -18 )
     LYS( 14 A -17 )
     ASP( 14 A -16 )
     GLU( 14 A -15 )
     ILE( 14 A -14 )
     ALA( 14 A -13 )
     ARG( 14 A -12 )
     GLU( 14 A -11 )
     ASP( 14 A -10 )
     SER( 14 A  -9 )
     ARG( 14 A  -8 )
     LEU( 14 A  -7 )
     GLU( 14 A  -6 )
     HIS( 14 A  -5 )
     HIS( 14 A  -4 )
     HIS( 14 A  -3 )
     HIS( 14 A  -2 )
     HIS( 14 A  -1 )
     HIS( 14 A   0 )
     MET( 15 A-130 )
     LEU( 15 A-129 )
     SER( 15 A-128 )
     GLN( 15 A-127 )
     THR( 15 A-126 )
     LEU( 15 A-125 )
     LEU( 15 A-124 )
     GLU( 15 A-123 )
     MET( 15 A-122 )
     THR( 15 A-121 )
     GLU( 15 A-120 )
     GLN( 15 A-119 )
     MET( 15 A-118 )
     ILE( 15 A-117 )
     GLU( 15 A-116 )
     VAL( 15 A-115 )
     ALA( 15 A-114 )
     GLU( 15 A-113 )
     LYS( 15 A-112 )
     GLY( 15 A-111 )
     ALA( 15 A-110 )
     ASP( 15 A-109 )
     ARG( 15 A-108 )
     TYR( 15 A-107 )
     GLN( 15 A-106 )
     GLU( 15 A-105 )
     GLY( 15 A-104 )
     LYS( 15 A-103 )
     ASN( 15 A-102 )
     SER( 15 A-101 )
     ASN( 15 A-100 )
     HIS( 15 A -99 )
     SER( 15 A -98 )
     TYR( 15 A -97 )
     ASP( 15 A -96 )
     PHE( 15 A -95 )
     PHE( 15 A -94 )
     GLU( 15 A -93 )
     THR( 15 A -92 )
     ILE( 15 A -91 )
     LYS( 15 A -90 )
     PRO( 15 A -89 )
     ALA( 15 A -88 )
     VAL( 15 A -87 )
     GLU( 15 A -86 )
     GLU( 15 A -85 )
     ASN( 15 A -84 )
     ASP( 15 A -83 )
     GLU( 15 A -82 )
     LEU( 15 A -81 )
     ALA( 15 A -80 )
     ALA( 15 A -79 )
     ARG( 15 A -78 )
     TRP( 15 A -77 )
     ALA( 15 A -76 )
     GLU( 15 A -75 )
     GLY( 15 A -74 )
     ALA( 15 A -73 )
     LEU( 15 A -72 )
     GLU( 15 A -71 )
     LEU( 15 A -70 )
     ILE( 15 A -69 )
     LYS( 15 A -68 )
     VAL( 15 A -67 )
     ARG( 15 A -66 )
     ARG( 15 A -65 )
     PRO( 15 A -64 )
     LYS( 15 A -63 )
     TYR( 15 A -62 )
     VAL( 15 A -61 )
     HIS( 15 A -60 )
     LYS( 15 A -59 )
     GLU( 15 A -58 )
     GLN( 15 A -57 )
     ILE( 15 A -56 )
     GLU( 15 A -55 )
     ALA( 15 A -54 )
     VAL( 15 A -53 )
     LYS( 15 A -52 )
     ASP( 15 A -51 )
     ASN( 15 A -50 )
     PHE( 15 A -49 )
     LEU( 15 A -48 )
     GLU( 15 A -47 )
     LEU( 15 A -46 )
     VAL( 15 A -45 )
     LEU( 15 A -44 )
     GLN( 15 A -43 )
     SER( 15 A -42 )
     TYR( 15 A -41 )
     VAL( 15 A -40 )
     HIS( 15 A -39 )
     HIS( 15 A -38 )
     ILE( 15 A -37 )
     HIS( 15 A -36 )
     LYS( 15 A -35 )
     LYS( 15 A -34 )
     ARG( 15 A -33 )
     PHE( 15 A -32 )
     LYS( 15 A -31 )
     ASP( 15 A -30 )
     ILE( 15 A -29 )
     THR( 15 A -28 )
     GLU( 15 A -27 )
     SER( 15 A -26 )
     VAL( 15 A -25 )
     LEU( 15 A -24 )
     TYR( 15 A -23 )
     THR( 15 A -22 )
     LEU( 15 A -21 )
     HIS( 15 A -20 )
     ALA( 15 A -19 )
     VAL( 15 A -18 )
     LYS( 15 A -17 )
     ASP( 15 A -16 )
     GLU( 15 A -15 )
     ILE( 15 A -14 )
     ALA( 15 A -13 )
     ARG( 15 A -12 )
     GLU( 15 A -11 )
     ASP( 15 A -10 )
     SER( 15 A  -9 )
     ARG( 15 A  -8 )
     LEU( 15 A  -7 )
     GLU( 15 A  -6 )
     HIS( 15 A  -5 )
     HIS( 15 A  -4 )
     HIS( 15 A  -3 )
     HIS( 15 A  -2 )
     HIS( 15 A  -1 )
     HIS( 15 A   0 )
     MET( 16 A-130 )
     LEU( 16 A-129 )
     SER( 16 A-128 )
     GLN( 16 A-127 )
     THR( 16 A-126 )
     LEU( 16 A-125 )
     LEU( 16 A-124 )
     GLU( 16 A-123 )
     MET( 16 A-122 )
     THR( 16 A-121 )
     GLU( 16 A-120 )
     GLN( 16 A-119 )
     MET( 16 A-118 )
     ILE( 16 A-117 )
     GLU( 16 A-116 )
     VAL( 16 A-115 )
     ALA( 16 A-114 )
     GLU( 16 A-113 )
     LYS( 16 A-112 )
     GLY( 16 A-111 )
     ALA( 16 A-110 )
     ASP( 16 A-109 )
     ARG( 16 A-108 )
     TYR( 16 A-107 )
     GLN( 16 A-106 )
     GLU( 16 A-105 )
     GLY( 16 A-104 )
     LYS( 16 A-103 )
     ASN( 16 A-102 )
     SER( 16 A-101 )
     ASN( 16 A-100 )
     HIS( 16 A -99 )
     SER( 16 A -98 )
     TYR( 16 A -97 )
     ASP( 16 A -96 )
     PHE( 16 A -95 )
     PHE( 16 A -94 )
     GLU( 16 A -93 )
     THR( 16 A -92 )
     ILE( 16 A -91 )
     LYS( 16 A -90 )
     PRO( 16 A -89 )
     ALA( 16 A -88 )
     VAL( 16 A -87 )
     GLU( 16 A -86 )
     GLU( 16 A -85 )
     ASN( 16 A -84 )
     ASP( 16 A -83 )
     GLU( 16 A -82 )
     LEU( 16 A -81 )
     ALA( 16 A -80 )
     ALA( 16 A -79 )
     ARG( 16 A -78 )
     TRP( 16 A -77 )
     ALA( 16 A -76 )
     GLU( 16 A -75 )
     GLY( 16 A -74 )
     ALA( 16 A -73 )
     LEU( 16 A -72 )
     GLU( 16 A -71 )
     LEU( 16 A -70 )
     ILE( 16 A -69 )
     LYS( 16 A -68 )
     VAL( 16 A -67 )
     ARG( 16 A -66 )
     ARG( 16 A -65 )
     PRO( 16 A -64 )
     LYS( 16 A -63 )
     TYR( 16 A -62 )
     VAL( 16 A -61 )
     HIS( 16 A -60 )
     LYS( 16 A -59 )
     GLU( 16 A -58 )
     GLN( 16 A -57 )
     ILE( 16 A -56 )
     GLU( 16 A -55 )
     ALA( 16 A -54 )
     VAL( 16 A -53 )
     LYS( 16 A -52 )
     ASP( 16 A -51 )
     ASN( 16 A -50 )
     PHE( 16 A -49 )
     LEU( 16 A -48 )
     GLU( 16 A -47 )
     LEU( 16 A -46 )
     VAL( 16 A -45 )
     LEU( 16 A -44 )
     GLN( 16 A -43 )
     SER( 16 A -42 )
     TYR( 16 A -41 )
     VAL( 16 A -40 )
     HIS( 16 A -39 )
     HIS( 16 A -38 )
     ILE( 16 A -37 )
     HIS( 16 A -36 )
     LYS( 16 A -35 )
     LYS( 16 A -34 )
     ARG( 16 A -33 )
     PHE( 16 A -32 )
     LYS( 16 A -31 )
     ASP( 16 A -30 )
     ILE( 16 A -29 )
     THR( 16 A -28 )
     GLU( 16 A -27 )
     SER( 16 A -26 )
     VAL( 16 A -25 )
     LEU( 16 A -24 )
     TYR( 16 A -23 )
     THR( 16 A -22 )
     LEU( 16 A -21 )
     HIS( 16 A -20 )
     ALA( 16 A -19 )
     VAL( 16 A -18 )
     LYS( 16 A -17 )
     ASP( 16 A -16 )
     GLU( 16 A -15 )
     ILE( 16 A -14 )
     ALA( 16 A -13 )
     ARG( 16 A -12 )
     GLU( 16 A -11 )
     ASP( 16 A -10 )
     SER( 16 A  -9 )
     ARG( 16 A  -8 )
     LEU( 16 A  -7 )
     GLU( 16 A  -6 )
     HIS( 16 A  -5 )
     HIS( 16 A  -4 )
     HIS( 16 A  -3 )
     HIS( 16 A  -2 )
     HIS( 16 A  -1 )
     HIS( 16 A   0 )
     MET( 17 A-130 )
     LEU( 17 A-129 )
     SER( 17 A-128 )
     GLN( 17 A-127 )
     THR( 17 A-126 )
     LEU( 17 A-125 )
     LEU( 17 A-124 )
     GLU( 17 A-123 )
     MET( 17 A-122 )
     THR( 17 A-121 )
     GLU( 17 A-120 )
     GLN( 17 A-119 )
     MET( 17 A-118 )
     ILE( 17 A-117 )
     GLU( 17 A-116 )
     VAL( 17 A-115 )
     ALA( 17 A-114 )
     GLU( 17 A-113 )
     LYS( 17 A-112 )
     GLY( 17 A-111 )
     ALA( 17 A-110 )
     ASP( 17 A-109 )
     ARG( 17 A-108 )
     TYR( 17 A-107 )
     GLN( 17 A-106 )
     GLU( 17 A-105 )
     GLY( 17 A-104 )
     LYS( 17 A-103 )
     ASN( 17 A-102 )
     SER( 17 A-101 )
     ASN( 17 A-100 )
     HIS( 17 A -99 )
     SER( 17 A -98 )
     TYR( 17 A -97 )
     ASP( 17 A -96 )
     PHE( 17 A -95 )
     PHE( 17 A -94 )
     GLU( 17 A -93 )
     THR( 17 A -92 )
     ILE( 17 A -91 )
     LYS( 17 A -90 )
     PRO( 17 A -89 )
     ALA( 17 A -88 )
     VAL( 17 A -87 )
     GLU( 17 A -86 )
     GLU( 17 A -85 )
     ASN( 17 A -84 )
     ASP( 17 A -83 )
     GLU( 17 A -82 )
     LEU( 17 A -81 )
     ALA( 17 A -80 )
     ALA( 17 A -79 )
     ARG( 17 A -78 )
     TRP( 17 A -77 )
     ALA( 17 A -76 )
     GLU( 17 A -75 )
     GLY( 17 A -74 )
     ALA( 17 A -73 )
     LEU( 17 A -72 )
     GLU( 17 A -71 )
     LEU( 17 A -70 )
     ILE( 17 A -69 )
     LYS( 17 A -68 )
     VAL( 17 A -67 )
     ARG( 17 A -66 )
     ARG( 17 A -65 )
     PRO( 17 A -64 )
     LYS( 17 A -63 )
     TYR( 17 A -62 )
     VAL( 17 A -61 )
     HIS( 17 A -60 )
     LYS( 17 A -59 )
     GLU( 17 A -58 )
     GLN( 17 A -57 )
     ILE( 17 A -56 )
     GLU( 17 A -55 )
     ALA( 17 A -54 )
     VAL( 17 A -53 )
     LYS( 17 A -52 )
     ASP( 17 A -51 )
     ASN( 17 A -50 )
     PHE( 17 A -49 )
     LEU( 17 A -48 )
     GLU( 17 A -47 )
     LEU( 17 A -46 )
     VAL( 17 A -45 )
     LEU( 17 A -44 )
     GLN( 17 A -43 )
     SER( 17 A -42 )
     TYR( 17 A -41 )
     VAL( 17 A -40 )
     HIS( 17 A -39 )
     HIS( 17 A -38 )
     ILE( 17 A -37 )
     HIS( 17 A -36 )
     LYS( 17 A -35 )
     LYS( 17 A -34 )
     ARG( 17 A -33 )
     PHE( 17 A -32 )
     LYS( 17 A -31 )
     ASP( 17 A -30 )
     ILE( 17 A -29 )
     THR( 17 A -28 )
     GLU( 17 A -27 )
     SER( 17 A -26 )
     VAL( 17 A -25 )
     LEU( 17 A -24 )
     TYR( 17 A -23 )
     THR( 17 A -22 )
     LEU( 17 A -21 )
     HIS( 17 A -20 )
     ALA( 17 A -19 )
     VAL( 17 A -18 )
     LYS( 17 A -17 )
     ASP( 17 A -16 )
     GLU( 17 A -15 )
     ILE( 17 A -14 )
     ALA( 17 A -13 )
     ARG( 17 A -12 )
     GLU( 17 A -11 )
     ASP( 17 A -10 )
     SER( 17 A  -9 )
     ARG( 17 A  -8 )
     LEU( 17 A  -7 )
     GLU( 17 A  -6 )
     HIS( 17 A  -5 )
     HIS( 17 A  -4 )
     HIS( 17 A  -3 )
     HIS( 17 A  -2 )
     HIS( 17 A  -1 )
     HIS( 17 A   0 )
     MET( 18 A-130 )
     LEU( 18 A-129 )
     SER( 18 A-128 )
     GLN( 18 A-127 )
     THR( 18 A-126 )
     LEU( 18 A-125 )
     LEU( 18 A-124 )
     GLU( 18 A-123 )
     MET( 18 A-122 )
     THR( 18 A-121 )
     GLU( 18 A-120 )
     GLN( 18 A-119 )
     MET( 18 A-118 )
     ILE( 18 A-117 )
     GLU( 18 A-116 )
     VAL( 18 A-115 )
     ALA( 18 A-114 )
     GLU( 18 A-113 )
     LYS( 18 A-112 )
     GLY( 18 A-111 )
     ALA( 18 A-110 )
     ASP( 18 A-109 )
     ARG( 18 A-108 )
     TYR( 18 A-107 )
     GLN( 18 A-106 )
     GLU( 18 A-105 )
     GLY( 18 A-104 )
     LYS( 18 A-103 )
     ASN( 18 A-102 )
     SER( 18 A-101 )
     ASN( 18 A-100 )
     HIS( 18 A -99 )
     SER( 18 A -98 )
     TYR( 18 A -97 )
     ASP( 18 A -96 )
     PHE( 18 A -95 )
     PHE( 18 A -94 )
     GLU( 18 A -93 )
     THR( 18 A -92 )
     ILE( 18 A -91 )
     LYS( 18 A -90 )
     PRO( 18 A -89 )
     ALA( 18 A -88 )
     VAL( 18 A -87 )
     GLU( 18 A -86 )
     GLU( 18 A -85 )
     ASN( 18 A -84 )
     ASP( 18 A -83 )
     GLU( 18 A -82 )
     LEU( 18 A -81 )
     ALA( 18 A -80 )
     ALA( 18 A -79 )
     ARG( 18 A -78 )
     TRP( 18 A -77 )
     ALA( 18 A -76 )
     GLU( 18 A -75 )
     GLY( 18 A -74 )
     ALA( 18 A -73 )
     LEU( 18 A -72 )
     GLU( 18 A -71 )
     LEU( 18 A -70 )
     ILE( 18 A -69 )
     LYS( 18 A -68 )
     VAL( 18 A -67 )
     ARG( 18 A -66 )
     ARG( 18 A -65 )
     PRO( 18 A -64 )
     LYS( 18 A -63 )
     TYR( 18 A -62 )
     VAL( 18 A -61 )
     HIS( 18 A -60 )
     LYS( 18 A -59 )
     GLU( 18 A -58 )
     GLN( 18 A -57 )
     ILE( 18 A -56 )
     GLU( 18 A -55 )
     ALA( 18 A -54 )
     VAL( 18 A -53 )
     LYS( 18 A -52 )
     ASP( 18 A -51 )
     ASN( 18 A -50 )
     PHE( 18 A -49 )
     LEU( 18 A -48 )
     GLU( 18 A -47 )
     LEU( 18 A -46 )
     VAL( 18 A -45 )
     LEU( 18 A -44 )
     GLN( 18 A -43 )
     SER( 18 A -42 )
     TYR( 18 A -41 )
     VAL( 18 A -40 )
     HIS( 18 A -39 )
     HIS( 18 A -38 )
     ILE( 18 A -37 )
     HIS( 18 A -36 )
     LYS( 18 A -35 )
     LYS( 18 A -34 )
     ARG( 18 A -33 )
     PHE( 18 A -32 )
     LYS( 18 A -31 )
     ASP( 18 A -30 )
     ILE( 18 A -29 )
     THR( 18 A -28 )
     GLU( 18 A -27 )
     SER( 18 A -26 )
     VAL( 18 A -25 )
     LEU( 18 A -24 )
     TYR( 18 A -23 )
     THR( 18 A -22 )
     LEU( 18 A -21 )
     HIS( 18 A -20 )
     ALA( 18 A -19 )
     VAL( 18 A -18 )
     LYS( 18 A -17 )
     ASP( 18 A -16 )
     GLU( 18 A -15 )
     ILE( 18 A -14 )
     ALA( 18 A -13 )
     ARG( 18 A -12 )
     GLU( 18 A -11 )
     ASP( 18 A -10 )
     SER( 18 A  -9 )
     ARG( 18 A  -8 )
     LEU( 18 A  -7 )
     GLU( 18 A  -6 )
     HIS( 18 A  -5 )
     HIS( 18 A  -4 )
     HIS( 18 A  -3 )
     HIS( 18 A  -2 )
     HIS( 18 A  -1 )
     HIS( 18 A   0 )
     MET( 19 A-130 )
     LEU( 19 A-129 )
     SER( 19 A-128 )
     GLN( 19 A-127 )
     THR( 19 A-126 )
     LEU( 19 A-125 )
     LEU( 19 A-124 )
     GLU( 19 A-123 )
     MET( 19 A-122 )
     THR( 19 A-121 )
     GLU( 19 A-120 )
     GLN( 19 A-119 )
     MET( 19 A-118 )
     ILE( 19 A-117 )
     GLU( 19 A-116 )
     VAL( 19 A-115 )
     ALA( 19 A-114 )
     GLU( 19 A-113 )
     LYS( 19 A-112 )
     GLY( 19 A-111 )
     ALA( 19 A-110 )
     ASP( 19 A-109 )
     ARG( 19 A-108 )
     TYR( 19 A-107 )
     GLN( 19 A-106 )
     GLU( 19 A-105 )
     GLY( 19 A-104 )
     LYS( 19 A-103 )
     ASN( 19 A-102 )
     SER( 19 A-101 )
     ASN( 19 A-100 )
     HIS( 19 A -99 )
     SER( 19 A -98 )
     TYR( 19 A -97 )
     ASP( 19 A -96 )
     PHE( 19 A -95 )
     PHE( 19 A -94 )
     GLU( 19 A -93 )
     THR( 19 A -92 )
     ILE( 19 A -91 )
     LYS( 19 A -90 )
     PRO( 19 A -89 )
     ALA( 19 A -88 )
     VAL( 19 A -87 )
     GLU( 19 A -86 )
     GLU( 19 A -85 )
     ASN( 19 A -84 )
     ASP( 19 A -83 )
     GLU( 19 A -82 )
     LEU( 19 A -81 )
     ALA( 19 A -80 )
     ALA( 19 A -79 )
     ARG( 19 A -78 )
     TRP( 19 A -77 )
     ALA( 19 A -76 )
     GLU( 19 A -75 )
     GLY( 19 A -74 )
     ALA( 19 A -73 )
     LEU( 19 A -72 )
     GLU( 19 A -71 )
     LEU( 19 A -70 )
     ILE( 19 A -69 )
     LYS( 19 A -68 )
     VAL( 19 A -67 )
     ARG( 19 A -66 )
     ARG( 19 A -65 )
     PRO( 19 A -64 )
     LYS( 19 A -63 )
     TYR( 19 A -62 )
     VAL( 19 A -61 )
     HIS( 19 A -60 )
     LYS( 19 A -59 )
     GLU( 19 A -58 )
     GLN( 19 A -57 )
     ILE( 19 A -56 )
     GLU( 19 A -55 )
     ALA( 19 A -54 )
     VAL( 19 A -53 )
     LYS( 19 A -52 )
     ASP( 19 A -51 )
     ASN( 19 A -50 )
     PHE( 19 A -49 )
     LEU( 19 A -48 )
     GLU( 19 A -47 )
     LEU( 19 A -46 )
     VAL( 19 A -45 )
     LEU( 19 A -44 )
     GLN( 19 A -43 )
     SER( 19 A -42 )
     TYR( 19 A -41 )
     VAL( 19 A -40 )
     HIS( 19 A -39 )
     HIS( 19 A -38 )
     ILE( 19 A -37 )
     HIS( 19 A -36 )
     LYS( 19 A -35 )
     LYS( 19 A -34 )
     ARG( 19 A -33 )
     PHE( 19 A -32 )
     LYS( 19 A -31 )
     ASP( 19 A -30 )
     ILE( 19 A -29 )
     THR( 19 A -28 )
     GLU( 19 A -27 )
     SER( 19 A -26 )
     VAL( 19 A -25 )
     LEU( 19 A -24 )
     TYR( 19 A -23 )
     THR( 19 A -22 )
     LEU( 19 A -21 )
     HIS( 19 A -20 )
     ALA( 19 A -19 )
     VAL( 19 A -18 )
     LYS( 19 A -17 )
     ASP( 19 A -16 )
     GLU( 19 A -15 )
     ILE( 19 A -14 )
     ALA( 19 A -13 )
     ARG( 19 A -12 )
     GLU( 19 A -11 )
     ASP( 19 A -10 )
     SER( 19 A  -9 )
     ARG( 19 A  -8 )
     LEU( 19 A  -7 )
     GLU( 19 A  -6 )
     HIS( 19 A  -5 )
     HIS( 19 A  -4 )
     HIS( 19 A  -3 )
     HIS( 19 A  -2 )
     HIS( 19 A  -1 )
     HIS( 19 A   0 )
     MET( 20 A-130 )
     LEU( 20 A-129 )
     SER( 20 A-128 )
     GLN( 20 A-127 )
     THR( 20 A-126 )
     LEU( 20 A-125 )
     LEU( 20 A-124 )
     GLU( 20 A-123 )
     MET( 20 A-122 )
     THR( 20 A-121 )
     GLU( 20 A-120 )
     GLN( 20 A-119 )
     MET( 20 A-118 )
     ILE( 20 A-117 )
     GLU( 20 A-116 )
     VAL( 20 A-115 )
     ALA( 20 A-114 )
     GLU( 20 A-113 )
     LYS( 20 A-112 )
     GLY( 20 A-111 )
     ALA( 20 A-110 )
     ASP( 20 A-109 )
     ARG( 20 A-108 )
     TYR( 20 A-107 )
     GLN( 20 A-106 )
     GLU( 20 A-105 )
     GLY( 20 A-104 )
     LYS( 20 A-103 )
     ASN( 20 A-102 )
     SER( 20 A-101 )
     ASN( 20 A-100 )
     HIS( 20 A -99 )
     SER( 20 A -98 )
     TYR( 20 A -97 )
     ASP( 20 A -96 )
     PHE( 20 A -95 )
     PHE( 20 A -94 )
     GLU( 20 A -93 )
     THR( 20 A -92 )
     ILE( 20 A -91 )
     LYS( 20 A -90 )
     PRO( 20 A -89 )
     ALA( 20 A -88 )
     VAL( 20 A -87 )
     GLU( 20 A -86 )
     GLU( 20 A -85 )
     ASN( 20 A -84 )
     ASP( 20 A -83 )
     GLU( 20 A -82 )
     LEU( 20 A -81 )
     ALA( 20 A -80 )
     ALA( 20 A -79 )
     ARG( 20 A -78 )
     TRP( 20 A -77 )
     ALA( 20 A -76 )
     GLU( 20 A -75 )
     GLY( 20 A -74 )
     ALA( 20 A -73 )
     LEU( 20 A -72 )
     GLU( 20 A -71 )
     LEU( 20 A -70 )
     ILE( 20 A -69 )
     LYS( 20 A -68 )
     VAL( 20 A -67 )
     ARG( 20 A -66 )
     ARG( 20 A -65 )
     PRO( 20 A -64 )
     LYS( 20 A -63 )
     TYR( 20 A -62 )
     VAL( 20 A -61 )
     HIS( 20 A -60 )
     LYS( 20 A -59 )
     GLU( 20 A -58 )
     GLN( 20 A -57 )
     ILE( 20 A -56 )
     GLU( 20 A -55 )
     ALA( 20 A -54 )
     VAL( 20 A -53 )
     LYS( 20 A -52 )
     ASP( 20 A -51 )
     ASN( 20 A -50 )
     PHE( 20 A -49 )
     LEU( 20 A -48 )
     GLU( 20 A -47 )
     LEU( 20 A -46 )
     VAL( 20 A -45 )
     LEU( 20 A -44 )
     GLN( 20 A -43 )
     SER( 20 A -42 )
     TYR( 20 A -41 )
     VAL( 20 A -40 )
     HIS( 20 A -39 )
     HIS( 20 A -38 )
     ILE( 20 A -37 )
     HIS( 20 A -36 )
     LYS( 20 A -35 )
     LYS( 20 A -34 )
     ARG( 20 A -33 )
     PHE( 20 A -32 )
     LYS( 20 A -31 )
     ASP( 20 A -30 )
     ILE( 20 A -29 )
     THR( 20 A -28 )
     GLU( 20 A -27 )
     SER( 20 A -26 )
     VAL( 20 A -25 )
     LEU( 20 A -24 )
     TYR( 20 A -23 )
     THR( 20 A -22 )
     LEU( 20 A -21 )
     HIS( 20 A -20 )
     ALA( 20 A -19 )
     VAL( 20 A -18 )
     LYS( 20 A -17 )
     ASP( 20 A -16 )
     GLU( 20 A -15 )
     ILE( 20 A -14 )
     ALA( 20 A -13 )
     ARG( 20 A -12 )
     GLU( 20 A -11 )
     ASP( 20 A -10 )
     SER( 20 A  -9 )
     ARG( 20 A  -8 )
     LEU( 20 A  -7 )
     GLU( 20 A  -6 )
     HIS( 20 A  -5 )
     HIS( 20 A  -4 )
     HIS( 20 A  -3 )
     HIS( 20 A  -2 )
     HIS( 20 A  -1 )
     HIS( 20 A   0 )


   PDB Chain_ID: A

           1                                                        15
   SEQRES: MET LEU SER GLN THR LEU LEU GLU MET THR GLU GLN MET ILE GLU 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           16                                                       30
   SEQRES: VAL ALA GLU LYS GLY ALA ASP ARG TYR GLN GLU GLY LYS ASN SER 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           31                                                       45
   SEQRES: ASN HIS SER TYR ASP PHE PHE GLU THR ILE LYS PRO ALA VAL GLU 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           46                                                       60
   SEQRES: GLU ASN ASP GLU LEU ALA ALA ARG TRP ALA GLU GLY ALA LEU GLU 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           61                                                       75
   SEQRES: LEU ILE LYS VAL ARG ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           76                                                       90
   SEQRES: GLU ALA VAL LYS ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           91                                                      105
   SEQRES: VAL HIS HIS ILE HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SER 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           106                                                     120
   SEQRES: VAL LEU TYR THR LEU HIS ALA VAL LYS ASP GLU ILE ALA ARG GLU 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           121                                                     135
   SEQRES: ASP SER ARG LEU GLU HIS HIS HIS HIS HIS HIS MET LEU SER GLN 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... MET LEU SER GLN 
                                                       1             4

           136                                                     150
   SEQRES: THR LEU LEU GLU MET THR GLU GLN MET ILE GLU VAL ALA GLU LYS 
   COORDS: THR LEU LEU GLU MET THR GLU GLN MET ILE GLU VAL ALA GLU LYS 
           5                                                        19

           151                                                     165
   SEQRES: GLY ALA ASP ARG TYR GLN GLU GLY LYS ASN SER ASN HIS SER TYR 
   COORDS: GLY ALA ASP ARG TYR GLN GLU GLY LYS ASN SER ASN HIS SER TYR 
           20                                                       34

           166                                                     180
   SEQRES: ASP PHE PHE GLU THR ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU 
   COORDS: ASP PHE PHE GLU THR ILE LYS PRO ALA VAL GLU GLU ASN ASP GLU 
           35                                                       49

           181                                                     195
   SEQRES: LEU ALA ALA ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL 
   COORDS: LEU ALA ALA ARG TRP ALA GLU GLY ALA LEU GLU LEU ILE LYS VAL 
           50                                                       64

           196                                                     210
   SEQRES: ARG ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL LYS 
   COORDS: ARG ARG PRO LYS TYR VAL HIS LYS GLU GLN ILE GLU ALA VAL LYS 
           65                                                       79

           211                                                     225
   SEQRES: ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL HIS HIS ILE 
   COORDS: ASP ASN PHE LEU GLU LEU VAL LEU GLN SER TYR VAL HIS HIS ILE 
           80                                                       94

           226                                                     240
   SEQRES: HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SER VAL LEU TYR THR 
   COORDS: HIS LYS LYS ARG PHE LYS ASP ILE THR GLU SER VAL LEU TYR THR 
           95                                                      109

           241                                                 254
   SEQRES: LEU HIS ALA VAL LYS ASP GLU ILE ALA ARG GLU ASP SER ARG 
   COORDS: LEU HIS ALA VAL LYS ASP GLU ILE ALA ARG GLU ASP SER ARG 
           110                                                 123


==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     GLU(  1 A   8)         HE2 
     GLU(  1 A  11)         HE2 
     GLU(  1 A  15)         HE2 
     GLU(  1 A  18)         HE2 
     ASP(  1 A  22)         HD2 
     GLU(  1 A  26)         HE2 
     ASP(  1 A  35)         HD2 
     GLU(  1 A  38)         HE2 
     GLU(  1 A  45)         HE2 
     GLU(  1 A  46)         HE2 
     ASP(  1 A  48)         HD2 
     GLU(  1 A  49)         HE2 
     GLU(  1 A  56)         HE2 
     GLU(  1 A  60)         HE2 
     GLU(  1 A  73)         HE2 
     GLU(  1 A  76)         HE2 
     ASP(  1 A  80)         HD2 
     GLU(  1 A  84)         HE2 
     ASP(  1 A 101)         HD2 
     GLU(  1 A 104)         HE2 
     ASP(  1 A 115)         HD2 
     GLU(  1 A 116)         HE2 
     GLU(  1 A 120)         HE2 
     ASP(  1 A 121)         HD2 
     GLU(  2 A   8)         HE2 
     GLU(  2 A  11)         HE2 
     GLU(  2 A  15)         HE2 
     GLU(  2 A  18)         HE2 
     ASP(  2 A  22)         HD2 
     GLU(  2 A  26)         HE2 
     ASP(  2 A  35)         HD2 
     GLU(  2 A  38)         HE2 
     GLU(  2 A  45)         HE2 
     GLU(  2 A  46)         HE2 
     ASP(  2 A  48)         HD2 
     GLU(  2 A  49)         HE2 
     GLU(  2 A  56)         HE2 
     GLU(  2 A  60)         HE2 
     GLU(  2 A  73)         HE2 
     GLU(  2 A  76)         HE2 
     ASP(  2 A  80)         HD2 
     GLU(  2 A  84)         HE2 
     ASP(  2 A 101)         HD2 
     GLU(  2 A 104)         HE2 
     ASP(  2 A 115)         HD2 
     GLU(  2 A 116)         HE2 
     GLU(  2 A 120)         HE2 
     ASP(  2 A 121)         HD2 
     GLU(  3 A   8)         HE2 
     GLU(  3 A  11)         HE2 
     GLU(  3 A  15)         HE2 
     GLU(  3 A  18)         HE2 
     ASP(  3 A  22)         HD2 
     GLU(  3 A  26)         HE2 
     ASP(  3 A  35)         HD2 
     GLU(  3 A  38)         HE2 
     GLU(  3 A  45)         HE2 
     GLU(  3 A  46)         HE2 
     ASP(  3 A  48)         HD2 
     GLU(  3 A  49)         HE2 
     GLU(  3 A  56)         HE2 
     GLU(  3 A  60)         HE2 
     GLU(  3 A  73)         HE2 
     GLU(  3 A  76)         HE2 
     ASP(  3 A  80)         HD2 
     GLU(  3 A  84)         HE2 
     ASP(  3 A 101)         HD2 
     GLU(  3 A 104)         HE2 
     ASP(  3 A 115)         HD2 
     GLU(  3 A 116)         HE2 
     GLU(  3 A 120)         HE2 
     ASP(  3 A 121)         HD2 
     GLU(  4 A   8)         HE2 
     GLU(  4 A  11)         HE2 
     GLU(  4 A  15)         HE2 
     GLU(  4 A  18)         HE2 
     ASP(  4 A  22)         HD2 
     GLU(  4 A  26)         HE2 
     ASP(  4 A  35)         HD2 
     GLU(  4 A  38)         HE2 
     GLU(  4 A  45)         HE2 
     GLU(  4 A  46)         HE2 
     ASP(  4 A  48)         HD2 
     GLU(  4 A  49)         HE2 
     GLU(  4 A  56)         HE2 
     GLU(  4 A  60)         HE2 
     GLU(  4 A  73)         HE2 
     GLU(  4 A  76)         HE2 
     ASP(  4 A  80)         HD2 
     GLU(  4 A  84)         HE2 
     ASP(  4 A 101)         HD2 
     GLU(  4 A 104)         HE2 
     ASP(  4 A 115)         HD2 
     GLU(  4 A 116)         HE2 
     GLU(  4 A 120)         HE2 
     ASP(  4 A 121)         HD2 
     GLU(  5 A   8)         HE2 
     GLU(  5 A  11)         HE2 
     GLU(  5 A  15)         HE2 
     GLU(  5 A  18)         HE2 
     ASP(  5 A  22)         HD2 
     GLU(  5 A  26)         HE2 
     ASP(  5 A  35)         HD2 
     GLU(  5 A  38)         HE2 
     GLU(  5 A  45)         HE2 
     GLU(  5 A  46)         HE2 
     ASP(  5 A  48)         HD2 
     GLU(  5 A  49)         HE2 
     GLU(  5 A  56)         HE2 
     GLU(  5 A  60)         HE2 
     GLU(  5 A  73)         HE2 
     GLU(  5 A  76)         HE2 
     ASP(  5 A  80)         HD2 
     GLU(  5 A  84)         HE2 
     ASP(  5 A 101)         HD2 
     GLU(  5 A 104)         HE2 
     ASP(  5 A 115)         HD2 
     GLU(  5 A 116)         HE2 
     GLU(  5 A 120)         HE2 
     ASP(  5 A 121)         HD2 
     GLU(  6 A   8)         HE2 
     GLU(  6 A  11)         HE2 
     GLU(  6 A  15)         HE2 
     GLU(  6 A  18)         HE2 
     ASP(  6 A  22)         HD2 
     GLU(  6 A  26)         HE2 
     ASP(  6 A  35)         HD2 
     GLU(  6 A  38)         HE2 
     GLU(  6 A  45)         HE2 
     GLU(  6 A  46)         HE2 
     ASP(  6 A  48)         HD2 
     GLU(  6 A  49)         HE2 
     GLU(  6 A  56)         HE2 
     GLU(  6 A  60)         HE2 
     GLU(  6 A  73)         HE2 
     GLU(  6 A  76)         HE2 
     ASP(  6 A  80)         HD2 
     GLU(  6 A  84)         HE2 
     ASP(  6 A 101)         HD2 
     GLU(  6 A 104)         HE2 
     ASP(  6 A 115)         HD2 
     GLU(  6 A 116)         HE2 
     GLU(  6 A 120)         HE2 
     ASP(  6 A 121)         HD2 
     GLU(  7 A   8)         HE2 
     GLU(  7 A  11)         HE2 
     GLU(  7 A  15)         HE2 
     GLU(  7 A  18)         HE2 
     ASP(  7 A  22)         HD2 
     GLU(  7 A  26)         HE2 
     ASP(  7 A  35)         HD2 
     GLU(  7 A  38)         HE2 
     GLU(  7 A  45)         HE2 
     GLU(  7 A  46)         HE2 
     ASP(  7 A  48)         HD2 
     GLU(  7 A  49)         HE2 
     GLU(  7 A  56)         HE2 
     GLU(  7 A  60)         HE2 
     GLU(  7 A  73)         HE2 
     GLU(  7 A  76)         HE2 
     ASP(  7 A  80)         HD2 
     GLU(  7 A  84)         HE2 
     ASP(  7 A 101)         HD2 
     GLU(  7 A 104)         HE2 
     ASP(  7 A 115)         HD2 
     GLU(  7 A 116)         HE2 
     GLU(  7 A 120)         HE2 
     ASP(  7 A 121)         HD2 
     GLU(  8 A   8)         HE2 
     GLU(  8 A  11)         HE2 
     GLU(  8 A  15)         HE2 
     GLU(  8 A  18)         HE2 
     ASP(  8 A  22)         HD2 
     GLU(  8 A  26)         HE2 
     ASP(  8 A  35)         HD2 
     GLU(  8 A  38)         HE2 
     GLU(  8 A  45)         HE2 
     GLU(  8 A  46)         HE2 
     ASP(  8 A  48)         HD2 
     GLU(  8 A  49)         HE2 
     GLU(  8 A  56)         HE2 
     GLU(  8 A  60)         HE2 
     GLU(  8 A  73)         HE2 
     GLU(  8 A  76)         HE2 
     ASP(  8 A  80)         HD2 
     GLU(  8 A  84)         HE2 
     ASP(  8 A 101)         HD2 
     GLU(  8 A 104)         HE2 
     ASP(  8 A 115)         HD2 
     GLU(  8 A 116)         HE2 
     GLU(  8 A 120)         HE2 
     ASP(  8 A 121)         HD2 
     GLU(  9 A   8)         HE2 
     GLU(  9 A  11)         HE2 
     GLU(  9 A  15)         HE2 
     GLU(  9 A  18)         HE2 
     ASP(  9 A  22)         HD2 
     GLU(  9 A  26)         HE2 
     ASP(  9 A  35)         HD2 
     GLU(  9 A  38)         HE2 
     GLU(  9 A  45)         HE2 
     GLU(  9 A  46)         HE2 
     ASP(  9 A  48)         HD2 
     GLU(  9 A  49)         HE2 
     GLU(  9 A  56)         HE2 
     GLU(  9 A  60)         HE2 
     GLU(  9 A  73)         HE2 
     GLU(  9 A  76)         HE2 
     ASP(  9 A  80)         HD2 
     GLU(  9 A  84)         HE2 
     ASP(  9 A 101)         HD2 
     GLU(  9 A 104)         HE2 
     ASP(  9 A 115)         HD2 
     GLU(  9 A 116)         HE2 
     GLU(  9 A 120)         HE2 
     ASP(  9 A 121)         HD2 
     GLU( 10 A   8)         HE2 
     GLU( 10 A  11)         HE2 
     GLU( 10 A  15)         HE2 
     GLU( 10 A  18)         HE2 
     ASP( 10 A  22)         HD2 
     GLU( 10 A  26)         HE2 
     ASP( 10 A  35)         HD2 
     GLU( 10 A  38)         HE2 
     GLU( 10 A  45)         HE2 
     GLU( 10 A  46)         HE2 
     ASP( 10 A  48)         HD2 
     GLU( 10 A  49)         HE2 
     GLU( 10 A  56)         HE2 
     GLU( 10 A  60)         HE2 
     GLU( 10 A  73)         HE2 
     GLU( 10 A  76)         HE2 
     ASP( 10 A  80)         HD2 
     GLU( 10 A  84)         HE2 
     ASP( 10 A 101)         HD2 
     GLU( 10 A 104)         HE2 
     ASP( 10 A 115)         HD2 
     GLU( 10 A 116)         HE2 
     GLU( 10 A 120)         HE2 
     ASP( 10 A 121)         HD2 
     GLU( 11 A   8)         HE2 
     GLU( 11 A  11)         HE2 
     GLU( 11 A  15)         HE2 
     GLU( 11 A  18)         HE2 
     ASP( 11 A  22)         HD2 
     GLU( 11 A  26)         HE2 
     ASP( 11 A  35)         HD2 
     GLU( 11 A  38)         HE2 
     GLU( 11 A  45)         HE2 
     GLU( 11 A  46)         HE2 
     ASP( 11 A  48)         HD2 
     GLU( 11 A  49)         HE2 
     GLU( 11 A  56)         HE2 
     GLU( 11 A  60)         HE2 
     GLU( 11 A  73)         HE2 
     GLU( 11 A  76)         HE2 
     ASP( 11 A  80)         HD2 
     GLU( 11 A  84)         HE2 
     ASP( 11 A 101)         HD2 
     GLU( 11 A 104)         HE2 
     ASP( 11 A 115)         HD2 
     GLU( 11 A 116)         HE2 
     GLU( 11 A 120)         HE2 
     ASP( 11 A 121)         HD2 
     GLU( 12 A   8)         HE2 
     GLU( 12 A  11)         HE2 
     GLU( 12 A  15)         HE2 
     GLU( 12 A  18)         HE2 
     ASP( 12 A  22)         HD2 
     GLU( 12 A  26)         HE2 
     ASP( 12 A  35)         HD2 
     GLU( 12 A  38)         HE2 
     GLU( 12 A  45)         HE2 
     GLU( 12 A  46)         HE2 
     ASP( 12 A  48)         HD2 
     GLU( 12 A  49)         HE2 
     GLU( 12 A  56)         HE2 
     GLU( 12 A  60)         HE2 
     GLU( 12 A  73)         HE2 
     GLU( 12 A  76)         HE2 
     ASP( 12 A  80)         HD2 
     GLU( 12 A  84)         HE2 
     ASP( 12 A 101)         HD2 
     GLU( 12 A 104)         HE2 
     ASP( 12 A 115)         HD2 
     GLU( 12 A 116)         HE2 
     GLU( 12 A 120)         HE2 
     ASP( 12 A 121)         HD2 
     GLU( 13 A   8)         HE2 
     GLU( 13 A  11)         HE2 
     GLU( 13 A  15)         HE2 
     GLU( 13 A  18)         HE2 
     ASP( 13 A  22)         HD2 
     GLU( 13 A  26)         HE2 
     ASP( 13 A  35)         HD2 
     GLU( 13 A  38)         HE2 
     GLU( 13 A  45)         HE2 
     GLU( 13 A  46)         HE2 
     ASP( 13 A  48)         HD2 
     GLU( 13 A  49)         HE2 
     GLU( 13 A  56)         HE2 
     GLU( 13 A  60)         HE2 
     GLU( 13 A  73)         HE2 
     GLU( 13 A  76)         HE2 
     ASP( 13 A  80)         HD2 
     GLU( 13 A  84)         HE2 
     ASP( 13 A 101)         HD2 
     GLU( 13 A 104)         HE2 
     ASP( 13 A 115)         HD2 
     GLU( 13 A 116)         HE2 
     GLU( 13 A 120)         HE2 
     ASP( 13 A 121)         HD2 
     GLU( 14 A   8)         HE2 
     GLU( 14 A  11)         HE2 
     GLU( 14 A  15)         HE2 
     GLU( 14 A  18)         HE2 
     ASP( 14 A  22)         HD2 
     GLU( 14 A  26)         HE2 
     ASP( 14 A  35)         HD2 
     GLU( 14 A  38)         HE2 
     GLU( 14 A  45)         HE2 
     GLU( 14 A  46)         HE2 
     ASP( 14 A  48)         HD2 
     GLU( 14 A  49)         HE2 
     GLU( 14 A  56)         HE2 
     GLU( 14 A  60)         HE2 
     GLU( 14 A  73)         HE2 
     GLU( 14 A  76)         HE2 
     ASP( 14 A  80)         HD2 
     GLU( 14 A  84)         HE2 
     ASP( 14 A 101)         HD2 
     GLU( 14 A 104)         HE2 
     ASP( 14 A 115)         HD2 
     GLU( 14 A 116)         HE2 
     GLU( 14 A 120)         HE2 
     ASP( 14 A 121)         HD2 
     GLU( 15 A   8)         HE2 
     GLU( 15 A  11)         HE2 
     GLU( 15 A  15)         HE2 
     GLU( 15 A  18)         HE2 
     ASP( 15 A  22)         HD2 
     GLU( 15 A  26)         HE2 
     ASP( 15 A  35)         HD2 
     GLU( 15 A  38)         HE2 
     GLU( 15 A  45)         HE2 
     GLU( 15 A  46)         HE2 
     ASP( 15 A  48)         HD2 
     GLU( 15 A  49)         HE2 
     GLU( 15 A  56)         HE2 
     GLU( 15 A  60)         HE2 
     GLU( 15 A  73)         HE2 
     GLU( 15 A  76)         HE2 
     ASP( 15 A  80)         HD2 
     GLU( 15 A  84)         HE2 
     ASP( 15 A 101)         HD2 
     GLU( 15 A 104)         HE2 
     ASP( 15 A 115)         HD2 
     GLU( 15 A 116)         HE2 
     GLU( 15 A 120)         HE2 
     ASP( 15 A 121)         HD2 
     GLU( 16 A   8)         HE2 
     GLU( 16 A  11)         HE2 
     GLU( 16 A  15)         HE2 
     GLU( 16 A  18)         HE2 
     ASP( 16 A  22)         HD2 
     GLU( 16 A  26)         HE2 
     ASP( 16 A  35)         HD2 
     GLU( 16 A  38)         HE2 
     GLU( 16 A  45)         HE2 
     GLU( 16 A  46)         HE2 
     ASP( 16 A  48)         HD2 
     GLU( 16 A  49)         HE2 
     GLU( 16 A  56)         HE2 
     GLU( 16 A  60)         HE2 
     GLU( 16 A  73)         HE2 
     GLU( 16 A  76)         HE2 
     ASP( 16 A  80)         HD2 
     GLU( 16 A  84)         HE2 
     ASP( 16 A 101)         HD2 
     GLU( 16 A 104)         HE2 
     ASP( 16 A 115)         HD2 
     GLU( 16 A 116)         HE2 
     GLU( 16 A 120)         HE2 
     ASP( 16 A 121)         HD2 
     GLU( 17 A   8)         HE2 
     GLU( 17 A  11)         HE2 
     GLU( 17 A  15)         HE2 
     GLU( 17 A  18)         HE2 
     ASP( 17 A  22)         HD2 
     GLU( 17 A  26)         HE2 
     ASP( 17 A  35)         HD2 
     GLU( 17 A  38)         HE2 
     GLU( 17 A  45)         HE2 
     GLU( 17 A  46)         HE2 
     ASP( 17 A  48)         HD2 
     GLU( 17 A  49)         HE2 
     GLU( 17 A  56)         HE2 
     GLU( 17 A  60)         HE2 
     GLU( 17 A  73)         HE2 
     GLU( 17 A  76)         HE2 
     ASP( 17 A  80)         HD2 
     GLU( 17 A  84)         HE2 
     ASP( 17 A 101)         HD2 
     GLU( 17 A 104)         HE2 
     ASP( 17 A 115)         HD2 
     GLU( 17 A 116)         HE2 
     GLU( 17 A 120)         HE2 
     ASP( 17 A 121)         HD2 
     GLU( 18 A   8)         HE2 
     GLU( 18 A  11)         HE2 
     GLU( 18 A  15)         HE2 
     GLU( 18 A  18)         HE2 
     ASP( 18 A  22)         HD2 
     GLU( 18 A  26)         HE2 
     ASP( 18 A  35)         HD2 
     GLU( 18 A  38)         HE2 
     GLU( 18 A  45)         HE2 
     GLU( 18 A  46)         HE2 
     ASP( 18 A  48)         HD2 
     GLU( 18 A  49)         HE2 
     GLU( 18 A  56)         HE2 
     GLU( 18 A  60)         HE2 
     GLU( 18 A  73)         HE2 
     GLU( 18 A  76)         HE2 
     ASP( 18 A  80)         HD2 
     GLU( 18 A  84)         HE2 
     ASP( 18 A 101)         HD2 
     GLU( 18 A 104)         HE2 
     ASP( 18 A 115)         HD2 
     GLU( 18 A 116)         HE2 
     GLU( 18 A 120)         HE2 
     ASP( 18 A 121)         HD2 
     GLU( 19 A   8)         HE2 
     GLU( 19 A  11)         HE2 
     GLU( 19 A  15)         HE2 
     GLU( 19 A  18)         HE2 
     ASP( 19 A  22)         HD2 
     GLU( 19 A  26)         HE2 
     ASP( 19 A  35)         HD2 
     GLU( 19 A  38)         HE2 
     GLU( 19 A  45)         HE2 
     GLU( 19 A  46)         HE2 
     ASP( 19 A  48)         HD2 
     GLU( 19 A  49)         HE2 
     GLU( 19 A  56)         HE2 
     GLU( 19 A  60)         HE2 
     GLU( 19 A  73)         HE2 
     GLU( 19 A  76)         HE2 
     ASP( 19 A  80)         HD2 
     GLU( 19 A  84)         HE2 
     ASP( 19 A 101)         HD2 
     GLU( 19 A 104)         HE2 
     ASP( 19 A 115)         HD2 
     GLU( 19 A 116)         HE2 
     GLU( 19 A 120)         HE2 
     ASP( 19 A 121)         HD2 
     GLU( 20 A   8)         HE2 
     GLU( 20 A  11)         HE2 
     GLU( 20 A  15)         HE2 
     GLU( 20 A  18)         HE2 
     ASP( 20 A  22)         HD2 
     GLU( 20 A  26)         HE2 
     ASP( 20 A  35)         HD2 
     GLU( 20 A  38)         HE2 
     GLU( 20 A  45)         HE2 
     GLU( 20 A  46)         HE2 
     ASP( 20 A  48)         HD2 
     GLU( 20 A  49)         HE2 
     GLU( 20 A  56)         HE2 
     GLU( 20 A  60)         HE2 
     GLU( 20 A  73)         HE2 
     GLU( 20 A  76)         HE2 
     ASP( 20 A  80)         HD2 
     GLU( 20 A  84)         HE2 
     ASP( 20 A 101)         HD2 
     GLU( 20 A 104)         HE2 
     ASP( 20 A 115)         HD2 
     GLU( 20 A 116)         HE2 
     GLU( 20 A 120)         HE2 
     ASP( 20 A 121)         HD2 



    CHECK TERMINAL ATOMS
    --------------------

Terminal atom(s) showed in middle of sequence will be deleted:

1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A