Detailed results of ZR18_NMR_em_bcr3 by PSVS

Output from PDBStat

Constraints analysis

table of NOE constraints


# -------------- SUMMARY OF RESTRAINTS  --------------- 
# TOTAL NUMBER OF NOE RESTRAINTS            :  1137
#      INTRA-RESIDUE RESTRAINTS   (I=J)     :   168
#      SEQUENTIAL    RESTRAINTS   (I-J)=1   :   337
#          BACKBONE-BACKBONE                :        82
#          BACKBONE-SIDE CHAIN              :        37
#          SIDE CHAIN-SIDE CHAIN            :       218
#      MEDIUM RANGE  RESTRAINTS  1<(I-J)<5  :   217
#          BACKBONE-BACKBONE                :        30
#          BACKBONE-SIDE CHAIN              :        43
#          SIDE CHAIN-SIDE CHAIN            :       144
#      LONG  RANGE   RESTRAINTS   (I-J)>=5  :   415
# TOTAL HYDROGEN BOND RESTRAINTS            :     0
#      LONG RANGE H-BOND RESTR.   (I-J)>=5  :     0
# DISULFIDE RESTRAINTS                      :     0
# INTRA-CHAIN RESTRAINTS                    :  1137
# INTER-CHAIN RESTRAINTS                    :     0
# AMBIGUOUS RESTRAINTS                      :     0
# ----------------------------------------------------- 
# ----------------------------------------------------- 
# ----------------------------------------------------- 


# RES   #    INTRA  INTER   seq    med    lng   InterChain
 MET     1      0    4.5    1.0    0.0    3.5    0.0
 LYS     2      4    4.5    2.0    0.5    2.0    0.0
 ILE     3      4   17.5    4.5    2.0   11.0    0.0
 ILE     4      4   16.0    7.0    0.5    8.5    0.0
 SER     5      0    8.0    4.0    1.0    3.0    0.0
 ILE     6      5    8.0    3.0    1.5    3.5    0.0
 SER     7      0    6.5    4.0    0.0    2.5    0.0
 GLU     8      3    4.5    4.0    0.5    0.0    0.0
 THR     9      0    6.0    5.0    1.0    0.0    0.0
 PRO    10      0    5.5    5.5    0.0    0.0    0.0
 ASN    11      2    4.0    3.0    1.0    0.0    0.0
 HIS    12      1    1.5    0.0    0.5    1.0    0.0
 ASN    13      2    5.0    1.0    0.0    4.0    0.0
 THR    14      0    9.5    2.5    0.5    6.5    0.0
 MET    15      0   16.0    4.0    0.0   12.0    0.0
 LYS    16      6   12.5    3.5    0.0    9.0    0.0
 ILE    17      4   15.0    3.5    0.5   11.0    0.0
 THR    18      1   13.5    5.0    0.0    8.5    0.0
 LEU    19      3   17.5    5.0    2.5   10.0    0.0
 SER    20      0    8.5    3.5    0.0    5.0    0.0
 GLU    21      1    6.0    3.0    2.0    1.0    0.0
 SER    22      1    4.0    3.0    0.0    1.0    0.0
 ARG    23      3    4.0    3.5    0.5    0.0    0.0
 GLU    24      1    4.5    4.5    0.0    0.0    0.0
 GLY    25      0    3.5    2.5    1.0    0.0    0.0
 MET    26      1    5.0    1.5    0.0    3.5    0.0
 THR    27      0    3.0    2.5    0.5    0.0    0.0
 SER    28      0    7.5    3.0    0.0    4.5    0.0
 ASP    29      0    9.0    3.0    1.5    4.5    0.0
 THR    30      1    6.0    3.0    0.0    3.0    0.0
 TYR    31      2   22.5    3.5    3.5   15.5    0.0
 THR    32      0    6.5    4.0    0.0    2.5    0.0
 LYS    33      4    4.5    3.0    0.5    1.0    0.0
 VAL    34      3   15.5    3.0    2.0   10.5    0.0
 ASP    35      0    6.5    2.5    3.0    1.0    0.0
 ASP    36      0    1.5    1.0    0.0    0.5    0.0
 SER    37      0    3.0    2.5    0.5    0.0    0.0
 GLN    38      6   17.0    5.0    6.5    5.5    0.0
 PRO    39      0   19.5    5.0   13.0    1.5    0.0
 ALA    40      0    7.0    3.5    3.5    0.0    0.0
 PHE    41      1   10.5    3.0    3.5    4.0    0.0
 ILE    42      6   36.0    5.5   20.0   10.5    0.0
 ASN    43      7   18.0    5.0    6.0    7.0    0.0
 ASP    44      0    7.0    2.0    3.5    1.5    0.0
 ILE    45      6   21.5    4.5    6.5   10.5    0.0
 LEU    46      3   24.5    5.0    4.5   15.0    0.0
 LYS    47      7   11.0    4.0    4.0    3.0    0.0
 VAL    48      2   19.5    7.0    5.0    7.5    0.0
 GLU    49      1    7.0    6.5    0.5    0.0    0.0
 GLY    50      0    8.0    3.0    0.5    4.5    0.0
 VAL    51      2   13.5    3.0    3.5    7.0    0.0
 LYS    52      5    7.5    3.5    0.0    4.0    0.0
 SER    53      0    9.0    3.5    0.5    5.0    0.0
 ILE    54      4   27.5    5.0    1.5   21.0    0.0
 PHE    55      1   15.5    5.0    3.0    7.5    0.0
 HIS    56      2   17.5    4.5    2.0   11.0    0.0
 VAL    57      2   18.0    6.0    7.5    4.5    0.0
 MET    58      1    6.5    5.0    1.5    0.0    0.0
 ASP    59      0    7.0    3.5    0.0    3.5    0.0
 PHE    60      1   21.5    6.0    7.0    8.5    0.0
 ILE    61      5   25.5    6.5    2.0   17.0    0.0
 SER    62      0   12.0    4.5    1.5    6.0    0.0
 VAL    63      2   17.0    3.5    1.0   12.5    0.0
 ASP    64      0   12.0    3.0    0.0    9.0    0.0
 LYS    65     10   19.0    5.0    2.5   11.5    0.0
 GLU    66      2   13.5    5.5    4.0    4.0    0.0
 ASN    67      0    5.0    3.0    0.0    2.0    0.0
 ASP    68      0    3.0    2.0    1.0    0.0    0.0
 ALA    69      0    9.0    1.5    5.5    2.0    0.0
 ASN    70      1    4.5    2.0    2.5    0.0    0.0
 TRP    71      5   30.0    2.5    7.5   20.0    0.0
 GLU    72      1    5.5    3.0    2.5    0.0    0.0
 THR    73      0    9.5    6.0    3.5    0.0    0.0
 VAL    74      3   18.5    6.0    9.0    3.5    0.0
 LEU    75      4   15.0    5.5    8.5    1.0    0.0
 PRO    76      0    8.0    6.5    1.5    0.0    0.0
 LYS    77      9   19.0    6.0    6.5    6.5    0.0
 VAL    78      3   16.5    5.5    7.5    3.5    0.0
 GLU    79      1   10.0    4.0    4.5    1.5    0.0
 ALA    80      0    6.5    3.0    3.5    0.0    0.0
 VAL    81      3   16.0    4.5    4.0    7.5    0.0
 PHE    82      2   20.5    5.0    3.0   12.5    0.0
 GLU    83      1   10.5    6.0    3.5    1.0    0.0
 LEU    84      2   10.0    6.5    1.5    2.0    0.0
 GLU    85      1    3.5    3.5    0.0    0.0    0.0
 HIS    86      0    2.0    2.0    0.0    0.0    0.0
 HIS    87      0    1.0    1.0    0.0    0.0    0.0
 HIS    88      0    0.0    0.0    0.0    0.0    0.0
 HIS    89      0    0.0    0.0    0.0    0.0    0.0
 HIS    90      0    0.0    0.0    0.0    0.0    0.0
 HIS    91      0    0.0    0.0    0.0    0.0    0.0
# TOTAL        168  969.0  337.0  217.0  415.0    0.0

# TOTAL NUMBER OF RESTRAINTS  (CHECKING): 1137.0

List of conformationally-resticting NOE constraints

 assign ((resid   1 and name HA   ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HA   ))   ( (resid  20 and name HB#  )) assign ((resid   1 and name HA   ))   ( (resid  26 and name HE#  )) assign ((resid   1 and name HB#  ))   ( (resid  82 and name HD#  )) assign ((resid   1 and name HG#  ))   ( (resid   2 and name HN   )) assign ((resid   1 and name HG#  ))   ( (resid  19 and name HD2# )) assign ((resid   1 and name HG#  ))   ( (resid  20 and name HN   )) assign ((resid   1 and name HG2  ))   ( (resid  26 and name HE#  )) assign ((resid   1 and name HG1  ))   ( (resid  26 and name HE#  )) assign ((resid   2 and name HN   ))   ( (resid  20 and name HN   )) assign ((resid   2 and name HA   ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HB#  ))   ( (resid   2 and name HD#  )) assign ((resid   2 and name HB#  ))   ( (resid   2 and name HE#  )) assign ((resid   2 and name HB#  ))   ( (resid   3 and name HN   )) assign ((resid   2 and name HB#  ))   ( (resid  83 and name HG#  )) assign ((resid   2 and name HG2  ))   ( (resid   2 and name HE#  )) assign ((resid   2 and name HG1  ))   ( (resid   2 and name HE#  )) assign ((resid   2 and name HG#  ))   ( (resid  82 and name HB#  )) assign ((resid   2 and name HD#  ))   ( (resid  83 and name HB#  )) assign ((resid   2 and name HE#  ))   ( (resid   4 and name HD1# )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HB   )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HG12 )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HG11 )) assign ((resid   3 and name HN   ))   ( (resid   3 and name HD1# )) assign ((resid   3 and name HN   ))   ( (resid  19 and name HD2# )) assign ((resid   3 and name HN   ))   ( (resid  82 and name HB2  )) assign ((resid   3 and name HN   ))   ( (resid  82 and name HB1  )) assign ((resid   3 and name HA   ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HA   ))   ( (resid   4 and name HB   )) assign ((resid   3 and name HA   ))   ( (resid   5 and name HN   )) assign ((resid   3 and name HA   ))   ( (resid  17 and name HG2# )) assign ((resid   3 and name HA   ))   ( (resid  19 and name HD2# )) assign ((resid   3 and name HG1# ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HG1# ))   ( (resid   4 and name HD1# )) assign ((resid   3 and name HG1# ))   ( (resid  17 and name HG1# )) assign ((resid   3 and name HG1# ))   ( (resid  17 and name HG2# )) assign ((resid   3 and name HG1# ))   ( (resid  19 and name HD2# )) assign ((resid   3 and name HG1# ))   ( (resid  82 and name HN   )) assign ((resid   3 and name HG1# ))   ( (resid  82 and name HB2  )) assign ((resid   3 and name HG1# ))   ( (resid  82 and name HB1  )) assign ((resid   3 and name HG1# ))   ( (resid  82 and name HD#  )) assign ((resid   3 and name HG2# ))   ( (resid   4 and name HN   )) assign ((resid   3 and name HG2# ))   ( (resid   4 and name HA   )) assign ((resid   3 and name HG2# ))   ( (resid   4 and name HG1# )) assign ((resid   3 and name HG2# ))   ( (resid   5 and name HN   )) assign ((resid   3 and name HG2# ))   ( (resid   6 and name HN   )) assign ((resid   3 and name HG2# ))   ( (resid   6 and name HG1# )) assign ((resid   3 and name HG2# ))   ( (resid  18 and name HN   )) assign ((resid   3 and name HD1# ))   ( (resid  79 and name HA   )) assign ((resid   3 and name HD1# ))   ( (resid  79 and name HG2  )) assign ((resid   3 and name HD1# ))   ( (resid  79 and name HG1  )) assign ((resid   3 and name HD1# ))   ( (resid  82 and name HN   )) assign ((resid   3 and name HD1# ))   ( (resid  82 and name HB2  )) assign ((resid   3 and name HD1# ))   ( (resid  82 and name HB1  )) assign ((resid   3 and name HD1# ))   ( (resid  82 and name HD#  )) assign ((resid   3 and name HD1# ))   ( (resid  82 and name HE#  )) assign ((resid   3 and name HD1# ))   ( (resid  82 and name HZ   )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HB   )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG12 )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HG11 )) assign ((resid   4 and name HN   ))   ( (resid   4 and name HD1# )) assign ((resid   4 and name HN   ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HN   ))   ( (resid  18 and name HB   )) assign ((resid   4 and name HN   ))   ( (resid  19 and name HA   )) assign ((resid   4 and name HN   ))   ( (resid  19 and name HD2# )) assign ((resid   4 and name HB   ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HB   ))   ( (resid   5 and name HB#  )) assign ((resid   4 and name HB   ))   ( (resid  18 and name HB   )) assign ((resid   4 and name HB   ))   ( (resid  18 and name HG2# )) assign ((resid   4 and name HG12 ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HG11 ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HG12 ))   ( (resid  18 and name HG2# )) assign ((resid   4 and name HG11 ))   ( (resid  18 and name HG2# )) assign ((resid   4 and name HG12 ))   ( (resid  20 and name HN   )) assign ((resid   4 and name HG11 ))   ( (resid  20 and name HN   )) assign ((resid   4 and name HG12 ))   ( (resid  20 and name HA   )) assign ((resid   4 and name HG11 ))   ( (resid  20 and name HA   )) assign ((resid   4 and name HG2# ))   ( (resid   5 and name HN   )) assign ((resid   4 and name HG2# ))   ( (resid   5 and name HB#  )) assign ((resid   4 and name HG2# ))   ( (resid  18 and name HB   )) assign ((resid   4 and name HG2# ))   ( (resid  18 and name HG2# )) assign ((resid   4 and name HD1# ))   ( (resid  18 and name HG2# )) assign ((resid   4 and name HD1# ))   ( (resid  20 and name HN   )) assign ((resid   4 and name HD1# ))   ( (resid  20 and name HA   )) assign ((resid   4 and name HD1# ))   ( (resid  20 and name HB#  )) assign ((resid   5 and name HN   ))   ( (resid  17 and name HA   )) assign ((resid   5 and name HN   ))   ( (resid  18 and name HN   )) assign ((resid   5 and name HN   ))   ( (resid  18 and name HA   )) assign ((resid   5 and name HN   ))   ( (resid  18 and name HB   )) assign ((resid   5 and name HN   ))   ( (resid  18 and name HG2# )) assign ((resid   5 and name HB#  ))   ( (resid   6 and name HN   )) assign ((resid   5 and name HB#  ))   ( (resid  18 and name HG2# )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HB   )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HG1# )) assign ((resid   6 and name HN   ))   ( (resid   6 and name HD1# )) assign ((resid   6 and name HA   ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HB   ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HG12 ))   ( (resid   6 and name HG2# )) assign ((resid   6 and name HG11 ))   ( (resid   6 and name HG2# )) assign ((resid   6 and name HG1# ))   ( (resid  15 and name HB#  )) assign ((resid   6 and name HG1# ))   ( (resid  17 and name HG1# )) assign ((resid   6 and name HG2# ))   ( (resid   7 and name HN   )) assign ((resid   6 and name HG2# ))   ( (resid   7 and name HB#  )) assign ((resid   6 and name HG2# ))   ( (resid   8 and name HN   )) assign ((resid   6 and name HG2# ))   ( (resid  15 and name HB#  )) assign ((resid   6 and name HG2# ))   ( (resid  15 and name HG2  )) assign ((resid   6 and name HG2# ))   ( (resid  15 and name HG1  )) assign ((resid   6 and name HG2# ))   ( (resid  15 and name HE#  )) assign ((resid   6 and name HG2# ))   ( (resid  16 and name HN   )) assign ((resid   6 and name HD1# ))   ( (resid   7 and name HN   )) assign ((resid   7 and name HN   ))   ( (resid  15 and name HB#  )) assign ((resid   7 and name HN   ))   ( (resid  16 and name HN   )) assign ((resid   7 and name HA   ))   ( (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   7 and name HB2  ))   ( (resid  16 and name HB#  )) assign ((resid   7 and name HB1  ))   ( (resid  16 and name HB#  )) assign ((resid   7 and name HB#  ))   ( (resid  16 and name HD#  )) 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   8 and name HG#  )) assign ((resid   8 and name HN   ))   ( (resid   9 and name HG2# )) assign ((resid   8 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   8 and name HG#  ))   ( (resid   9 and name HN   )) assign ((resid   9 and name HN   ))   ( (resid  10 and name HD2  )) assign ((resid   9 and name HN   ))   ( (resid  10 and name HD1  )) assign ((resid   9 and name HB   ))   ( (resid  11 and name HN   )) assign ((resid   9 and name HG2# ))   ( (resid  10 and name HA   )) assign ((resid   9 and name HG2# ))   ( (resid  10 and name HB#  )) assign ((resid   9 and name HG2# ))   ( (resid  10 and name HD#  )) assign ((resid   9 and name HG2# ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HB2  ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HB1  ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HG2  ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HG1  ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HD2  ))   ( (resid  11 and name HN   )) assign ((resid  10 and name HD1  ))   ( (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  12 and name HA   ))   ( (resid  14 and name HN   )) assign ((resid  12 and name HA   ))   ( (resid  71 and name HE1  )) assign ((resid  12 and name HB#  ))   ( (resid  12 and name HD2  )) assign ((resid  12 and name HD2  ))   ( (resid  71 and name HE1  )) assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  65 and name HN   )) assign ((resid  13 and name HA   ))   ( (resid  71 and name HE1  )) assign ((resid  13 and name HB2  ))   ( (resid  13 and name HD22 )) assign ((resid  13 and name HB1  ))   ( (resid  13 and name HD22 )) assign ((resid  13 and name HB#  ))   ( (resid  14 and name HN   )) assign ((resid  13 and name HB2  ))   ( (resid  65 and name HN   )) assign ((resid  13 and name HB1  ))   ( (resid  65 and name HN   )) assign ((resid  13 and name HD21 ))   ( (resid  67 and name HA   )) assign ((resid  13 and name HD22 ))   ( (resid  67 and name HA   )) assign ((resid  13 and name HD21 ))   ( (resid  67 and name HB#  )) assign ((resid  13 and name HD22 ))   ( (resid  67 and name HB#  )) assign ((resid  14 and name HN   ))   ( (resid  71 and name HZ2  )) assign ((resid  14 and name HA   ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  15 and name HB#  )) assign ((resid  14 and name HA   ))   ( (resid  64 and name HA   )) assign ((resid  14 and name HA   ))   ( (resid  65 and name HN   )) assign ((resid  14 and name HA   ))   ( (resid  71 and name HZ2  )) assign ((resid  14 and name HA   ))   ( (resid  71 and name HH2  )) assign ((resid  14 and name HB   ))   ( (resid  64 and name HB2  )) assign ((resid  14 and name HB   ))   ( (resid  64 and name HB1  )) assign ((resid  14 and name HG2# ))   ( (resid  15 and name HN   )) assign ((resid  14 and name HG2# ))   ( (resid  62 and name HA   )) assign ((resid  14 and name HG2# ))   ( (resid  62 and name HB#  )) assign ((resid  14 and name HG2# ))   ( (resid  63 and name HN   )) assign ((resid  14 and name HG2# ))   ( (resid  64 and name HA   )) assign ((resid  14 and name HG2# ))   ( (resid  64 and name HB2  )) assign ((resid  14 and name HG2# ))   ( (resid  64 and name HB1  )) assign ((resid  15 and name HN   ))   ( (resid  63 and name HN   )) assign ((resid  15 and name HN   ))   ( (resid  63 and name HB   )) assign ((resid  15 and name HN   ))   ( (resid  71 and name HZ2  )) assign ((resid  15 and name HN   ))   ( (resid  71 and name HH2  )) assign ((resid  15 and name HA   ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB2  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB1  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HB#  ))   ( (resid  63 and name HB   )) assign ((resid  15 and name HB#  ))   ( (resid  71 and name HZ2  )) assign ((resid  15 and name HB#  ))   ( (resid  71 and name HH2  )) assign ((resid  15 and name HG2  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HG1  ))   ( (resid  16 and name HN   )) assign ((resid  15 and name HG#  ))   ( (resid  63 and name HB   )) assign ((resid  15 and name HG2  ))   ( (resid  71 and name HZ2  )) assign ((resid  15 and name HG1  ))   ( (resid  71 and name HZ2  )) assign ((resid  15 and name HE#  ))   ( (resid  63 and name HB   )) assign ((resid  15 and name HE#  ))   ( (resid  71 and name HB#  )) assign ((resid  15 and name HE#  ))   ( (resid  71 and name HD1  )) assign ((resid  15 and name HE#  ))   ( (resid  71 and name HE1  )) assign ((resid  15 and name HE#  ))   ( (resid  71 and name HZ2  )) assign ((resid  15 and name HE#  ))   ( (resid  71 and name HE3  )) assign ((resid  15 and name HE#  ))   ( (resid  75 and name HG   )) assign ((resid  15 and name HE#  ))   ( (resid  75 and name HD1# )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HG2  )) assign ((resid  16 and name HN   ))   ( (resid  16 and name HG1  )) assign ((resid  16 and name HN   ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  62 and name HN   )) assign ((resid  16 and name HA   ))   ( (resid  63 and name HN   )) assign ((resid  16 and name HG2  ))   ( (resid  16 and name HE2  )) assign ((resid  16 and name HG2  ))   ( (resid  16 and name HE1  )) assign ((resid  16 and name HG1  ))   ( (resid  16 and name HE2  )) assign ((resid  16 and name HG1  ))   ( (resid  16 and name HE1  )) assign ((resid  16 and name HG#  ))   ( (resid  17 and name HN   )) assign ((resid  16 and name HG2  ))   ( (resid  60 and name HB#  )) assign ((resid  16 and name HG1  ))   ( (resid  60 and name HB#  )) assign ((resid  16 and name HG2  ))   ( (resid  60 and name HD#  )) assign ((resid  16 and name HG1  ))   ( (resid  60 and name HD#  )) assign ((resid  16 and name HD#  ))   ( (resid  60 and name HD#  )) assign ((resid  16 and name HE2  ))   ( (resid  60 and name HB#  )) assign ((resid  16 and name HE1  ))   ( (resid  60 and name HB#  )) assign ((resid  16 and name HE2  ))   ( (resid  60 and name HD#  )) assign ((resid  16 and name HE1  ))   ( (resid  60 and name HD#  )) assign ((resid  16 and name HE#  ))   ( (resid  60 and name HE#  )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HB   )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HG12 )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HG11 )) assign ((resid  17 and name HN   ))   ( (resid  17 and name HD1# )) assign ((resid  17 and name HN   ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  60 and name HB#  )) assign ((resid  17 and name HN   ))   ( (resid  61 and name HN   )) assign ((resid  17 and name HN   ))   ( (resid  61 and name HG1# )) assign ((resid  17 and name HN   ))   ( (resid  62 and name HA   )) assign ((resid  17 and name HA   ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  17 and name HB   ))   ( (resid  61 and name HB   )) assign ((resid  17 and name HB   ))   ( (resid  61 and name HG1# )) assign ((resid  17 and name HB   ))   ( (resid  63 and name HG2# )) assign ((resid  17 and name HG12 ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HG11 ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HG12 ))   ( (resid  61 and name HB   )) assign ((resid  17 and name HG11 ))   ( (resid  61 and name HB   )) assign ((resid  17 and name HG12 ))   ( (resid  63 and name HG2# )) assign ((resid  17 and name HG11 ))   ( (resid  63 and name HG2# )) assign ((resid  17 and name HG2# ))   ( (resid  18 and name HN   )) assign ((resid  17 and name HG2# ))   ( (resid  19 and name HD2# )) assign ((resid  17 and name HD1# ))   ( (resid  61 and name HB   )) assign ((resid  17 and name HD1# ))   ( (resid  61 and name HG2# )) assign ((resid  17 and name HD1# ))   ( (resid  63 and name HB   )) assign ((resid  17 and name HD1# ))   ( (resid  63 and name HG2# )) assign ((resid  17 and name HD1# ))   ( (resid  82 and name HE#  )) assign ((resid  18 and name HN   ))   ( (resid  18 and name HB   )) assign ((resid  18 and name HN   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HN   ))   ( (resid  19 and name HD2# )) assign ((resid  18 and name HA   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  18 and name HB   ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HG2# ))   ( (resid  19 and name HN   )) assign ((resid  18 and name HG2# ))   ( (resid  59 and name HB#  )) assign ((resid  18 and name HG2# ))   ( (resid  60 and name HB#  )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HG   )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HD1# )) assign ((resid  19 and name HN   ))   ( (resid  19 and name HD2# )) assign ((resid  19 and name HN   ))   ( (resid  59 and name HB#  )) assign ((resid  19 and name HN   ))   ( (resid  60 and name HA   )) assign ((resid  19 and name HN   ))   ( (resid  60 and name HB#  )) assign ((resid  19 and name HA   ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB2  ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB1  ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HB2  ))   ( (resid  21 and name HN   )) assign ((resid  19 and name HB1  ))   ( (resid  21 and name HN   )) assign ((resid  19 and name HG   ))   ( (resid  60 and name HA   )) assign ((resid  19 and name HD1# ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HD2# ))   ( (resid  20 and name HN   )) assign ((resid  19 and name HD1# ))   ( (resid  21 and name HN   )) assign ((resid  19 and name HD2# ))   ( (resid  21 and name HN   )) assign ((resid  19 and name HD2# ))   ( (resid  26 and name HE#  )) assign ((resid  19 and name HD1# ))   ( (resid  60 and name HA   )) assign ((resid  19 and name HD2# ))   ( (resid  61 and name HN   )) assign ((resid  19 and name HD1# ))   ( (resid  61 and name HG1# )) assign ((resid  19 and name HD2# ))   ( (resid  61 and name HG1# )) assign ((resid  19 and name HD1# ))   ( (resid  61 and name HD1# )) assign ((resid  19 and name HD2# ))   ( (resid  61 and name HD1# )) assign ((resid  19 and name HD2# ))   ( (resid  82 and name HD#  )) assign ((resid  19 and name HD2# ))   ( (resid  82 and name HE#  )) assign ((resid  19 and name HD2# ))   ( (resid  82 and name HZ   )) assign ((resid  20 and name HN   ))   ( (resid  21 and name HN   )) assign ((resid  20 and name HB#  ))   ( (resid  21 and name HN   )) assign ((resid  21 and name HN   ))   ( (resid  21 and name HG#  )) assign ((resid  21 and name HN   ))   ( (resid  26 and name HE#  )) assign ((resid  21 and name HA   ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HB2  ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HB1  ))   ( (resid  22 and name HN   )) assign ((resid  21 and name HB#  ))   ( (resid  59 and name HB#  )) assign ((resid  21 and name HG#  ))   ( (resid  22 and name HN   )) assign ((resid  22 and name HN   ))   ( (resid  22 and name HA   )) assign ((resid  22 and name HA   ))   ( (resid  23 and name HN   )) assign ((resid  22 and name HB#  ))   ( (resid  23 and name HN   )) assign ((resid  22 and name HB#  ))   ( (resid  59 and name HB2  )) assign ((resid  22 and name HB#  ))   ( (resid  59 and name HB1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HG2  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HG1  )) assign ((resid  23 and name HN   ))   ( (resid  23 and name HD#  )) assign ((resid  23 and name HA   ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HB#  ))   ( (resid  25 and name HN   )) assign ((resid  23 and name HG#  ))   ( (resid  24 and name HN   )) assign ((resid  23 and name HG#  ))   ( (resid  24 and name HB#  )) assign ((resid  24 and name HN   ))   ( (resid  24 and name HG#  )) assign ((resid  24 and name HA   ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HB#  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HG#  ))   ( (resid  25 and name HN   )) assign ((resid  24 and name HG#  ))   ( (resid  25 and name HA#  )) assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   )) assign ((resid  25 and name HA#  ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HN   ))   ( (resid  26 and name HG#  )) assign ((resid  26 and name HN   ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HN   ))   ( (resid  59 and name HB#  )) assign ((resid  26 and name HB#  ))   ( (resid  27 and name HN   )) assign ((resid  26 and name HG#  ))   ( (resid  59 and name HB#  )) assign ((resid  27 and name HA   ))   ( (resid  28 and name HN   )) assign ((resid  27 and name HB   ))   ( (resid  28 and name HN   )) assign ((resid  27 and name HG2# ))   ( (resid  28 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  29 and name HN   )) assign ((resid  28 and name HA   ))   ( (resid  56 and name HN   )) assign ((resid  28 and name HB2  ))   ( (resid  29 and name HN   )) assign ((resid  28 and name HB1  ))   ( (resid  29 and name HN   )) assign ((resid  28 and name HB2  ))   ( (resid  55 and name HE#  )) assign ((resid  28 and name HB1  ))   ( (resid  55 and name HE#  )) assign ((resid  28 and name HB2  ))   ( (resid  57 and name HB   )) assign ((resid  28 and name HB1  ))   ( (resid  57 and name HB   )) assign ((resid  28 and name HB2  ))   ( (resid  57 and name HG1# )) assign ((resid  28 and name HB2  ))   ( (resid  57 and name HG2# )) assign ((resid  28 and name HB1  ))   ( (resid  57 and name HG1# )) assign ((resid  28 and name HB1  ))   ( (resid  57 and name HG2# )) assign ((resid  29 and name HN   ))   ( (resid  56 and name HN   )) assign ((resid  29 and name HN   ))   ( (resid  56 and name HB2  )) assign ((resid  29 and name HN   ))   ( (resid  56 and name HB1  )) assign ((resid  29 and name HN   ))   ( (resid  57 and name HB   )) assign ((resid  29 and name HN   ))   ( (resid  57 and name HG2# )) assign ((resid  29 and name HA   ))   ( (resid  30 and name HN   )) assign ((resid  29 and name HA   ))   ( (resid  56 and name HN   )) assign ((resid  29 and name HB2  ))   ( (resid  30 and name HN   )) assign ((resid  29 and name HB1  ))   ( (resid  30 and name HN   )) assign ((resid  29 and name HB#  ))   ( (resid  31 and name HD#  )) assign ((resid  29 and name HB2  ))   ( (resid  31 and name HE#  )) assign ((resid  29 and name HB1  ))   ( (resid  31 and name HE#  )) assign ((resid  29 and name HB2  ))   ( (resid  56 and name HN   )) assign ((resid  29 and name HB1  ))   ( (resid  56 and name HN   )) assign ((resid  29 and name HB#  ))   ( (resid  56 and name HB#  )) assign ((resid  30 and name HN   ))   ( (resid  30 and name HB   )) assign ((resid  30 and name HN   ))   ( (resid  31 and name HN   )) assign ((resid  30 and name HA   ))   ( (resid  31 and name HN   )) assign ((resid  30 and name HA   ))   ( (resid  55 and name HA   )) assign ((resid  30 and name HA   ))   ( (resid  56 and name HN   )) assign ((resid  30 and name HG2# ))   ( (resid  31 and name HN   )) assign ((resid  30 and name HG2# ))   ( (resid  55 and name HA   )) assign ((resid  30 and name HG2# ))   ( (resid  55 and name HB#  )) assign ((resid  30 and name HG2# ))   ( (resid  55 and name HD#  )) assign ((resid  30 and name HG2# ))   ( (resid  56 and name HN   )) assign ((resid  31 and name HN   ))   ( (resid  46 and name HD1# )) assign ((resid  31 and name HN   ))   ( (resid  54 and name HN   )) assign ((resid  31 and name HN   ))   ( (resid  54 and name HB   )) assign ((resid  31 and name HN   ))   ( (resid  55 and name HA   )) assign ((resid  31 and name HA   ))   ( (resid  31 and name HD#  )) assign ((resid  31 and name HA   ))   ( (resid  32 and name HN   )) assign ((resid  31 and name HA   ))   ( (resid  32 and name HG2# )) assign ((resid  31 and name HA   ))   ( (resid  33 and name HN   )) assign ((resid  31 and name HB#  ))   ( (resid  31 and name HE#  )) assign ((resid  31 and name HB2  ))   ( (resid  32 and name HN   )) assign ((resid  31 and name HB1  ))   ( (resid  32 and name HN   )) assign ((resid  31 and name HB#  ))   ( (resid  34 and name HG1# )) assign ((resid  31 and name HB#  ))   ( (resid  34 and name HG2# )) assign ((resid  31 and name HB#  ))   ( (resid  38 and name HE21 )) assign ((resid  31 and name HB#  ))   ( (resid  42 and name HG2# )) assign ((resid  31 and name HB2  ))   ( (resid  46 and name HD1# )) assign ((resid  31 and name HB1  ))   ( (resid  46 and name HD1# )) assign ((resid  31 and name HB2  ))   ( (resid  54 and name HN   )) assign ((resid  31 and name HB1  ))   ( (resid  54 and name HN   )) assign ((resid  31 and name HB2  ))   ( (resid  54 and name HB   )) assign ((resid  31 and name HB1  ))   ( (resid  54 and name HB   )) assign ((resid  31 and name HB#  ))   ( (resid  54 and name HG2# )) assign ((resid  31 and name HB#  ))   ( (resid  54 and name HD1# )) assign ((resid  31 and name HD#  ))   ( (resid  35 and name HN   )) assign ((resid  31 and name HD#  ))   ( (resid  38 and name HB#  )) assign ((resid  31 and name HD#  ))   ( (resid  38 and name HG#  )) assign ((resid  31 and name HD#  ))   ( (resid  42 and name HG2# )) assign ((resid  31 and name HD#  ))   ( (resid  42 and name HD1# )) assign ((resid  31 and name HD#  ))   ( (resid  54 and name HB   )) assign ((resid  31 and name HD#  ))   ( (resid  54 and name HG2# )) assign ((resid  31 and name HD#  ))   ( (resid  54 and name HD1# )) assign ((resid  31 and name HE#  ))   ( (resid  36 and name HB#  )) assign ((resid  31 and name HE#  ))   ( (resid  38 and name HG#  )) assign ((resid  31 and name HE#  ))   ( (resid  42 and name HG1# )) assign ((resid  31 and name HE#  ))   ( (resid  42 and name HG2# )) assign ((resid  31 and name HE#  ))   ( (resid  42 and name HD1# )) assign ((resid  31 and name HE#  ))   ( (resid  54 and name HG2# )) assign ((resid  31 and name HE#  ))   ( (resid  56 and name HN   )) assign ((resid  31 and name HE#  ))   ( (resid  56 and name HB2  )) assign ((resid  31 and name HE#  ))   ( (resid  56 and name HB1  )) assign ((resid  31 and name HE#  ))   ( (resid  61 and name HG2# )) assign ((resid  32 and name HN   ))   ( (resid  33 and name HN   )) assign ((resid  32 and name HN   ))   ( (resid  33 and name HG#  )) assign ((resid  32 and name HN   ))   ( (resid  46 and name HD1# )) assign ((resid  32 and name HA   ))   ( (resid  53 and name HB#  )) assign ((resid  32 and name HB   ))   ( (resid  33 and name HN   )) assign ((resid  32 and name HG2# ))   ( (resid  33 and name HN   )) assign ((resid  32 and name HG2# ))   ( (resid  53 and name HB2  )) assign ((resid  32 and name HG2# ))   ( (resid  53 and name HB1  )) assign ((resid  32 and name HG2# ))   ( (resid  54 and name HN   )) assign ((resid  33 and name HN   ))   ( (resid  33 and name HG#  )) assign ((resid  33 and name HN   ))   ( (resid  33 and name HD#  )) assign ((resid  33 and name HN   ))   ( (resid  34 and name HG2# )) assign ((resid  33 and name HN   ))   ( (resid  46 and name HB#  )) assign ((resid  33 and name HN   ))   ( (resid  46 and name HD1# )) assign ((resid  33 and name HA   ))   ( (resid  34 and name HN   )) assign ((resid  33 and name HB#  ))   ( (resid  33 and name HD#  )) assign ((resid  33 and name HB#  ))   ( (resid  33 and name HE#  )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HB   )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HG1# )) assign ((resid  34 and name HN   ))   ( (resid  34 and name HG2# )) assign ((resid  34 and name HN   ))   ( (resid  46 and name HD1# )) assign ((resid  34 and name HA   ))   ( (resid  35 and name HN   )) assign ((resid  34 and name HA   ))   ( (resid  38 and name HE21 )) assign ((resid  34 and name HA   ))   ( (resid  38 and name HE22 )) assign ((resid  34 and name HA   ))   ( (resid  43 and name HD22 )) assign ((resid  34 and name HA   ))   ( (resid  46 and name HD1# )) assign ((resid  34 and name HB   ))   ( (resid  35 and name HN   )) assign ((resid  34 and name HG1# ))   ( (resid  35 and name HN   )) assign ((resid  34 and name HG2# ))   ( (resid  35 and name HN   )) assign ((resid  34 and name HG1# ))   ( (resid  43 and name HA   )) assign ((resid  34 and name HG2# ))   ( (resid  43 and name HA   )) assign ((resid  34 and name HG1# ))   ( (resid  43 and name HB2  )) assign ((resid  34 and name HG1# ))   ( (resid  43 and name HB1  )) assign ((resid  34 and name HG2# ))   ( (resid  43 and name HB2  )) assign ((resid  34 and name HG2# ))   ( (resid  43 and name HB1  )) assign ((resid  34 and name HG1# ))   ( (resid  43 and name HD21 )) assign ((resid  34 and name HG1# ))   ( (resid  43 and name HD22 )) assign ((resid  34 and name HG2# ))   ( (resid  46 and name HN   )) assign ((resid  34 and name HG2# ))   ( (resid  46 and name HB2  )) assign ((resid  34 and name HG2# ))   ( (resid  46 and name HB1  )) assign ((resid  34 and name HG2# ))   ( (resid  46 and name HD1# )) assign ((resid  34 and name HG2# ))   ( (resid  47 and name HN   )) assign ((resid  34 and name HG2# ))   ( (resid  47 and name HA   )) assign ((resid  34 and name HG2# ))   ( (resid  47 and name HD2  )) assign ((resid  34 and name HG2# ))   ( (resid  47 and name HD1  )) assign ((resid  34 and name HG1# ))   ( (resid  47 and name HE#  )) assign ((resid  34 and name HG2# ))   ( (resid  47 and name HE#  )) assign ((resid  35 and name HN   ))   ( (resid  38 and name HB#  )) assign ((resid  35 and name HN   ))   ( (resid  38 and name HE21 )) assign ((resid  35 and name HN   ))   ( (resid  38 and name HE22 )) assign ((resid  35 and name HN   ))   ( (resid  43 and name HD22 )) assign ((resid  35 and name HN   ))   ( (resid  46 and name HD1# )) assign ((resid  35 and name HB#  ))   ( (resid  36 and name HN   )) assign ((resid  35 and name HB#  ))   ( (resid  37 and name HN   )) assign ((resid  35 and name HB#  ))   ( (resid  38 and name HE22 )) assign ((resid  36 and name HB#  ))   ( (resid  37 and name HN   )) assign ((resid  37 and name HN   ))   ( (resid  38 and name HN   )) assign ((resid  37 and name HN   ))   ( (resid  38 and name HB#  )) assign ((resid  37 and name HN   ))   ( (resid  38 and name HG#  )) assign ((resid  37 and name HB#  ))   ( (resid  38 and name HN   )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HG#  )) assign ((resid  38 and name HN   ))   ( (resid  38 and name HE21 )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HD2  )) assign ((resid  38 and name HN   ))   ( (resid  39 and name HD1  )) assign ((resid  38 and name HB2  ))   ( (resid  38 and name HE21 )) assign ((resid  38 and name HB2  ))   ( (resid  38 and name HE22 )) assign ((resid  38 and name HB1  ))   ( (resid  38 and name HE21 )) assign ((resid  38 and name HB1  ))   ( (resid  38 and name HE22 )) assign ((resid  38 and name HB2  ))   ( (resid  39 and name HD2  )) assign ((resid  38 and name HB2  ))   ( (resid  39 and name HD1  )) assign ((resid  38 and name HB1  ))   ( (resid  39 and name HD2  )) assign ((resid  38 and name HB1  ))   ( (resid  39 and name HD1  )) assign ((resid  38 and name HB2  ))   ( (resid  42 and name HB   )) assign ((resid  38 and name HB1  ))   ( (resid  42 and name HB   )) assign ((resid  38 and name HB2  ))   ( (resid  42 and name HG2# )) assign ((resid  38 and name HB1  ))   ( (resid  42 and name HG2# )) assign ((resid  38 and name HB2  ))   ( (resid  43 and name HD21 )) assign ((resid  38 and name HB2  ))   ( (resid  43 and name HD22 )) assign ((resid  38 and name HB1  ))   ( (resid  43 and name HD22 )) assign ((resid  38 and name HG#  ))   ( (resid  42 and name HG2# )) assign ((resid  38 and name HG#  ))   ( (resid  43 and name HD22 )) assign ((resid  38 and name HE21 ))   ( (resid  42 and name HG2# )) assign ((resid  38 and name HE22 ))   ( (resid  42 and name HG2# )) assign ((resid  38 and name HE21 ))   ( (resid  46 and name HD1# )) assign ((resid  38 and name HE21 ))   ( (resid  46 and name HD2# )) assign ((resid  38 and name HE22 ))   ( (resid  46 and name HD1# )) assign ((resid  39 and name HA   ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HA   ))   ( (resid  40 and name HB#  )) assign ((resid  39 and name HA   ))   ( (resid  41 and name HN   )) assign ((resid  39 and name HB2  ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB1  ))   ( (resid  40 and name HN   )) assign ((resid  39 and name HB2  ))   ( (resid  41 and name HN   )) assign ((resid  39 and name HB1  ))   ( (resid  41 and name HN   )) assign ((resid  39 and name HB2  ))   ( (resid  41 and name HB#  )) assign ((resid  39 and name HB1  ))   ( (resid  41 and name HB#  )) assign ((resid  39 and name HB2  ))   ( (resid  41 and name HD#  )) assign ((resid  39 and name HB1  ))   ( (resid  41 and name HD#  )) assign ((resid  39 and name HB2  ))   ( (resid  42 and name HN   )) assign ((resid  39 and name HB1  ))   ( (resid  42 and name HN   )) assign ((resid  39 and name HB#  ))   ( (resid  42 and name HB   )) assign ((resid  39 and name HB2  ))   ( (resid  42 and name HG1# )) assign ((resid  39 and name HB1  ))   ( (resid  42 and name HG1# )) assign ((resid  39 and name HB#  ))   ( (resid  42 and name HG2# )) assign ((resid  39 and name HB#  ))   ( (resid  42 and name HD1# )) assign ((resid  39 and name HB2  ))   ( (resid  81 and name HG1# )) assign ((resid  39 and name HB1  ))   ( (resid  81 and name HG1# )) assign ((resid  39 and name HG#  ))   ( (resid  42 and name HG12 )) assign ((resid  39 and name HG#  ))   ( (resid  42 and name HG11 )) assign ((resid  39 and name HG#  ))   ( (resid  42 and name HD1# )) assign ((resid  39 and name HD2  ))   ( (resid  42 and name HB   )) assign ((resid  39 and name HD1  ))   ( (resid  42 and name HB   )) assign ((resid  39 and name HD2  ))   ( (resid  42 and name HG12 )) assign ((resid  39 and name HD2  ))   ( (resid  42 and name HG11 )) assign ((resid  39 and name HD1  ))   ( (resid  42 and name HG12 )) assign ((resid  39 and name HD1  ))   ( (resid  42 and name HG11 )) assign ((resid  39 and name HD2  ))   ( (resid  42 and name HG2# )) assign ((resid  39 and name HD1  ))   ( (resid  42 and name HG2# )) assign ((resid  39 and name HD#  ))   ( (resid  42 and name HD1# )) assign ((resid  39 and name HD#  ))   ( (resid  81 and name HG1# )) assign ((resid  40 and name HN   ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HN   )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HB2  )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HB1  )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HD21 )) assign ((resid  40 and name HA   ))   ( (resid  43 and name HD22 )) assign ((resid  40 and name HA   ))   ( (resid  44 and name HN   )) assign ((resid  40 and name HB#  ))   ( (resid  41 and name HN   )) assign ((resid  40 and name HB#  ))   ( (resid  41 and name HB#  )) assign ((resid  40 and name HB#  ))   ( (resid  44 and name HN   )) assign ((resid  41 and name HN   ))   ( (resid  42 and name HN   )) assign ((resid  41 and name HN   ))   ( (resid  81 and name HG1# )) assign ((resid  41 and name HA   ))   ( (resid  41 and name HD#  )) assign ((resid  41 and name HA   ))   ( (resid  81 and name HG1# )) assign ((resid  41 and name HB#  ))   ( (resid  42 and name HN   )) assign ((resid  41 and name HB#  ))   ( (resid  81 and name HG1# )) assign ((resid  41 and name HD#  ))   ( (resid  42 and name HG1# )) assign ((resid  41 and name HD#  ))   ( (resid  81 and name HG1# )) assign ((resid  41 and name HD#  ))   ( (resid  84 and name HD1# )) assign ((resid  41 and name HE#  ))   ( (resid  84 and name HD1# )) assign ((resid  41 and name HE#  ))   ( (resid  84 and name HD2# )) assign ((resid  41 and name HZ   ))   ( (resid  84 and name HD1# )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HB   )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HG12 )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HG11 )) assign ((resid  42 and name HN   ))   ( (resid  42 and name HD1# )) assign ((resid  42 and name HN   ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  43 and name HA   )) assign ((resid  42 and name HA   ))   ( (resid  45 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  45 and name HB   )) assign ((resid  42 and name HA   ))   ( (resid  45 and name HD1# )) assign ((resid  42 and name HA   ))   ( (resid  46 and name HN   )) assign ((resid  42 and name HA   ))   ( (resid  54 and name HD1# )) assign ((resid  42 and name HB   ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HG12 ))   ( (resid  42 and name HG2# )) assign ((resid  42 and name HG11 ))   ( (resid  42 and name HG2# )) assign ((resid  42 and name HG1# ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HG1# ))   ( (resid  45 and name HG2# )) assign ((resid  42 and name HG1# ))   ( (resid  54 and name HD1# )) assign ((resid  42 and name HG1# ))   ( (resid  82 and name HZ   )) assign ((resid  42 and name HG2# ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HG2# ))   ( (resid  43 and name HA   )) assign ((resid  42 and name HG2# ))   ( (resid  43 and name HD22 )) assign ((resid  42 and name HG2# ))   ( (resid  44 and name HN   )) assign ((resid  42 and name HG2# ))   ( (resid  45 and name HN   )) assign ((resid  42 and name HG2# ))   ( (resid  45 and name HB   )) assign ((resid  42 and name HG2# ))   ( (resid  46 and name HN   )) assign ((resid  42 and name HG2# ))   ( (resid  46 and name HG   )) assign ((resid  42 and name HG2# ))   ( (resid  46 and name HD1# )) assign ((resid  42 and name HG2# ))   ( (resid  54 and name HB   )) assign ((resid  42 and name HG2# ))   ( (resid  54 and name HG2# )) assign ((resid  42 and name HG2# ))   ( (resid  54 and name HD1# )) assign ((resid  42 and name HG2# ))   ( (resid  61 and name HG2# )) assign ((resid  42 and name HD1# ))   ( (resid  43 and name HN   )) assign ((resid  42 and name HD1# ))   ( (resid  45 and name HB   )) assign ((resid  42 and name HD1# ))   ( (resid  45 and name HG1# )) assign ((resid  42 and name HD1# ))   ( (resid  46 and name HN   )) assign ((resid  42 and name HD1# ))   ( (resid  54 and name HG1# )) assign ((resid  42 and name HD1# ))   ( (resid  54 and name HG2# )) assign ((resid  42 and name HD1# ))   ( (resid  54 and name HD1# )) assign ((resid  42 and name HD1# ))   ( (resid  61 and name HG2# )) assign ((resid  42 and name HD1# ))   ( (resid  61 and name HD1# )) assign ((resid  42 and name HD1# ))   ( (resid  63 and name HG2# )) assign ((resid  42 and name HD1# ))   ( (resid  82 and name HE#  )) assign ((resid  42 and name HD1# ))   ( (resid  82 and name HZ   )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HB2  )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HB1  )) assign ((resid  43 and name HN   ))   ( (resid  43 and name HD21 )) assign ((resid  43 and name HN   ))   ( (resid  44 and name HN   )) assign ((resid  43 and name HA   ))   ( (resid  43 and name HD21 )) assign ((resid  43 and name HA   ))   ( (resid  43 and name HD22 )) assign ((resid  43 and name HA   ))   ( (resid  46 and name HN   )) assign ((resid  43 and name HA   ))   ( (resid  46 and name HB2  )) assign ((resid  43 and name HA   ))   ( (resid  46 and name HB1  )) assign ((resid  43 and name HA   ))   ( (resid  46 and name HD1# )) assign ((resid  43 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  43 and name HB2  ))   ( (resid  43 and name HD22 )) assign ((resid  43 and name HB1  ))   ( (resid  43 and name HD22 )) assign ((resid  43 and name HB#  ))   ( (resid  44 and name HA   )) assign ((resid  43 and name HB#  ))   ( (resid  47 and name HD2  )) assign ((resid  43 and name HB#  ))   ( (resid  47 and name HD1  )) assign ((resid  44 and name HN   ))   ( (resid  45 and name HN   )) assign ((resid  44 and name HN   ))   ( (resid  45 and name HG1# )) assign ((resid  44 and name HN   ))   ( (resid  81 and name HG1# )) assign ((resid  44 and name HN   ))   ( (resid  81 and name HG2# )) assign ((resid  44 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  44 and name HA   ))   ( (resid  47 and name HB#  )) assign ((resid  44 and name HA   ))   ( (resid  47 and name HG#  )) assign ((resid  44 and name HA   ))   ( (resid  47 and name HD#  )) assign ((resid  44 and name HB#  ))   ( (resid  81 and name HG1# )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HB   )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HG12 )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HG11 )) assign ((resid  45 and name HN   ))   ( (resid  45 and name HD1# )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HN   ))   ( (resid  46 and name HG   )) assign ((resid  45 and name HN   ))   ( (resid  54 and name HD1# )) assign ((resid  45 and name HN   ))   ( (resid  81 and name HG1# )) assign ((resid  45 and name HN   ))   ( (resid  81 and name HG2# )) assign ((resid  45 and name HA   ))   ( (resid  47 and name HN   )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HB   )) assign ((resid  45 and name HA   ))   ( (resid  48 and name HG2# )) assign ((resid  45 and name HB   ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HB   ))   ( (resid  54 and name HD1# )) assign ((resid  45 and name HG12 ))   ( (resid  45 and name HG2# )) assign ((resid  45 and name HG11 ))   ( (resid  45 and name HG2# )) assign ((resid  45 and name HG1# ))   ( (resid  48 and name HG2# )) assign ((resid  45 and name HG1# ))   ( (resid  77 and name HB#  )) assign ((resid  45 and name HG12 ))   ( (resid  78 and name HA   )) assign ((resid  45 and name HG11 ))   ( (resid  78 and name HA   )) assign ((resid  45 and name HG1# ))   ( (resid  78 and name HG1# )) assign ((resid  45 and name HG12 ))   ( (resid  81 and name HG1# )) assign ((resid  45 and name HG12 ))   ( (resid  81 and name HG2# )) assign ((resid  45 and name HG11 ))   ( (resid  81 and name HG2# )) assign ((resid  45 and name HG2# ))   ( (resid  46 and name HN   )) assign ((resid  45 and name HG2# ))   ( (resid  46 and name HA   )) assign ((resid  45 and name HG2# ))   ( (resid  46 and name HG   )) assign ((resid  45 and name HG2# ))   ( (resid  46 and name HD2# )) assign ((resid  45 and name HG2# ))   ( (resid  48 and name HB   )) assign ((resid  45 and name HG2# ))   ( (resid  51 and name HB   )) assign ((resid  45 and name HG2# ))   ( (resid  51 and name HG2# )) assign ((resid  45 and name HG2# ))   ( (resid  54 and name HG1# )) assign ((resid  45 and name HG2# ))   ( (resid  54 and name HD1# )) assign ((resid  45 and name HG2# ))   ( (resid  63 and name HG1# )) assign ((resid  45 and name HG2# ))   ( (resid  78 and name HG2# )) assign ((resid  45 and name HD1# ))   ( (resid  54 and name HD1# )) assign ((resid  45 and name HD1# ))   ( (resid  78 and name HA   )) assign ((resid  45 and name HD1# ))   ( (resid  82 and name HE#  )) assign ((resid  45 and name HD1# ))   ( (resid  82 and name HZ   )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HG   )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HD1# )) assign ((resid  46 and name HN   ))   ( (resid  46 and name HD2# )) assign ((resid  46 and name HN   ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HN   ))   ( (resid  54 and name HD1# )) assign ((resid  46 and name HA   ))   ( (resid  51 and name HB   )) assign ((resid  46 and name HA   ))   ( (resid  51 and name HG1# )) assign ((resid  46 and name HA   ))   ( (resid  54 and name HD1# )) assign ((resid  46 and name HB#  ))   ( (resid  47 and name HN   )) assign ((resid  46 and name HB#  ))   ( (resid  47 and name HG#  )) assign ((resid  46 and name HB#  ))   ( (resid  51 and name HG1# )) assign ((resid  46 and name HG   ))   ( (resid  54 and name HD1# )) assign ((resid  46 and name HD2# ))   ( (resid  51 and name HG1# )) assign ((resid  46 and name HD2# ))   ( (resid  53 and name HN   )) assign ((resid  46 and name HD2# ))   ( (resid  54 and name HN   )) assign ((resid  46 and name HD2# ))   ( (resid  54 and name HB   )) assign ((resid  46 and name HD2# ))   ( (resid  54 and name HG12 )) assign ((resid  46 and name HD2# ))   ( (resid  54 and name HG11 )) assign ((resid  46 and name HD1# ))   ( (resid  54 and name HD1# )) assign ((resid  46 and name HD2# ))   ( (resid  54 and name HD1# )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HG2  )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HG1  )) assign ((resid  47 and name HN   ))   ( (resid  47 and name HD#  )) assign ((resid  47 and name HN   ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HN   ))   ( (resid  48 and name HG2# )) assign ((resid  47 and name HA   ))   ( (resid  47 and name HD#  )) assign ((resid  47 and name HB#  ))   ( (resid  47 and name HE#  )) assign ((resid  47 and name HB2  ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB1  ))   ( (resid  48 and name HN   )) assign ((resid  47 and name HB#  ))   ( (resid  48 and name HA   )) assign ((resid  47 and name HG2  ))   ( (resid  47 and name HE#  )) assign ((resid  47 and name HG1  ))   ( (resid  47 and name HE#  )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HB   )) assign ((resid  48 and name HN   ))   ( (resid  48 and name HG2# )) assign ((resid  48 and name HN   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HN   ))   ( (resid  51 and name HG2# )) assign ((resid  48 and name HA   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HA   ))   ( (resid  49 and name HA   )) assign ((resid  48 and name HA   ))   ( (resid  49 and name HB#  )) assign ((resid  48 and name HA   ))   ( (resid  49 and name HG#  )) assign ((resid  48 and name HB   ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HB   ))   ( (resid  51 and name HG1# )) assign ((resid  48 and name HB   ))   ( (resid  51 and name HG2# )) assign ((resid  48 and name HG1# ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HG2# ))   ( (resid  49 and name HN   )) assign ((resid  48 and name HG1# ))   ( (resid  49 and name HA   )) assign ((resid  48 and name HG1# ))   ( (resid  50 and name HN   )) assign ((resid  48 and name HG1# ))   ( (resid  51 and name HN   )) assign ((resid  48 and name HG1# ))   ( (resid  51 and name HG2# )) assign ((resid  48 and name HG1# ))   ( (resid  74 and name HA   )) assign ((resid  48 and name HG1# ))   ( (resid  74 and name HG2# )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HN   )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HB2  )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HB1  )) assign ((resid  48 and name HG2# ))   ( (resid  77 and name HB2  )) assign ((resid  48 and name HG2# ))   ( (resid  77 and name HB1  )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HG2  )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HG1  )) assign ((resid  48 and name HG2# ))   ( (resid  77 and name HG2  )) assign ((resid  48 and name HG2# ))   ( (resid  77 and name HG1  )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HD#  )) assign ((resid  48 and name HG2# ))   ( (resid  77 and name HD#  )) assign ((resid  48 and name HG1# ))   ( (resid  77 and name HE#  )) assign ((resid  48 and name HG1# ))   ( (resid  78 and name HN   )) assign ((resid  49 and name HN   ))   ( (resid  49 and name HG#  )) assign ((resid  49 and name HA   ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HA   ))   ( (resid  50 and name HA#  )) assign ((resid  49 and name HA   ))   ( (resid  51 and name HN   )) assign ((resid  49 and name HB#  ))   ( (resid  50 and name HN   )) assign ((resid  49 and name HG#  ))   ( (resid  50 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  51 and name HN   )) assign ((resid  50 and name HN   ))   ( (resid  51 and name HG2# )) assign ((resid  50 and name HN   ))   ( (resid  69 and name HB#  )) assign ((resid  50 and name HA#  ))   ( (resid  66 and name HN   )) assign ((resid  50 and name HA#  ))   ( (resid  66 and name HB#  )) assign ((resid  50 and name HA#  ))   ( (resid  66 and name HG2  )) assign ((resid  50 and name HA#  ))   ( (resid  66 and name HG1  )) assign ((resid  50 and name HA2  ))   ( (resid  69 and name HB#  )) assign ((resid  50 and name HA1  ))   ( (resid  69 and name HB#  )) assign ((resid  50 and name HA2  ))   ( (resid  74 and name HG2# )) assign ((resid  50 and name HA1  ))   ( (resid  74 and name HG2# )) assign ((resid  51 and name HN   ))   ( (resid  51 and name HB   )) assign ((resid  51 and name HN   ))   ( (resid  51 and name HG2# )) assign ((resid  51 and name HN   ))   ( (resid  74 and name HG2# )) assign ((resid  51 and name HA   ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HA   ))   ( (resid  65 and name HA   )) assign ((resid  51 and name HA   ))   ( (resid  66 and name HN   )) assign ((resid  51 and name HB   ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HG1# ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HG2# ))   ( (resid  52 and name HN   )) assign ((resid  51 and name HG1# ))   ( (resid  53 and name HN   )) assign ((resid  51 and name HG1# ))   ( (resid  63 and name HG1# )) assign ((resid  51 and name HG2# ))   ( (resid  63 and name HG1# )) assign ((resid  51 and name HG1# ))   ( (resid  64 and name HN   )) assign ((resid  51 and name HG1# ))   ( (resid  65 and name HA   )) assign ((resid  51 and name HG2# ))   ( (resid  74 and name HG2# )) assign ((resid  52 and name HN   ))   ( (resid  53 and name HN   )) assign ((resid  52 and name HN   ))   ( (resid  64 and name HB#  )) assign ((resid  52 and name HN   ))   ( (resid  65 and name HA   )) assign ((resid  52 and name HN   ))   ( (resid  66 and name HN   )) assign ((resid  52 and name HB#  ))   ( (resid  52 and name HD#  )) assign ((resid  52 and name HB2  ))   ( (resid  52 and name HE#  )) assign ((resid  52 and name HB1  ))   ( (resid  52 and name HE#  )) assign ((resid  52 and name HB2  ))   ( (resid  53 and name HN   )) assign ((resid  52 and name HB1  ))   ( (resid  53 and name HN   )) assign ((resid  52 and name HB#  ))   ( (resid  64 and name HB2  )) assign ((resid  52 and name HB#  ))   ( (resid  64 and name HB1  )) assign ((resid  52 and name HB#  ))   ( (resid  66 and name HG#  )) assign ((resid  52 and name HG2  ))   ( (resid  52 and name HE#  )) assign ((resid  52 and name HG1  ))   ( (resid  52 and name HE#  )) assign ((resid  52 and name HE#  ))   ( (resid  64 and name HB#  )) assign ((resid  52 and name HE#  ))   ( (resid  66 and name HB#  )) assign ((resid  53 and name HN   ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  63 and name HG1# )) assign ((resid  53 and name HN   ))   ( (resid  64 and name HN   )) assign ((resid  53 and name HN   ))   ( (resid  64 and name HB2  )) assign ((resid  53 and name HN   ))   ( (resid  64 and name HB1  )) assign ((resid  53 and name HN   ))   ( (resid  65 and name HA   )) assign ((resid  53 and name HA   ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HB2  ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HB1  ))   ( (resid  54 and name HN   )) assign ((resid  53 and name HB#  ))   ( (resid  64 and name HB#  )) assign ((resid  54 and name HN   ))   ( (resid  54 and name HG1# )) assign ((resid  54 and name HN   ))   ( (resid  54 and name HD1# )) assign ((resid  54 and name HN   ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HA   ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HA   ))   ( (resid  64 and name HN   )) assign ((resid  54 and name HB   ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HG12 ))   ( (resid  54 and name HG2# )) assign ((resid  54 and name HG11 ))   ( (resid  54 and name HG2# )) assign ((resid  54 and name HG1# ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HG1# ))   ( (resid  61 and name HG2# )) assign ((resid  54 and name HG1# ))   ( (resid  63 and name HG1# )) assign ((resid  54 and name HG1# ))   ( (resid  63 and name HG2# )) assign ((resid  54 and name HG2# ))   ( (resid  55 and name HN   )) assign ((resid  54 and name HG2# ))   ( (resid  55 and name HA   )) assign ((resid  54 and name HG2# ))   ( (resid  56 and name HN   )) assign ((resid  54 and name HG2# ))   ( (resid  56 and name HB2  )) assign ((resid  54 and name HG2# ))   ( (resid  56 and name HB1  )) assign ((resid  54 and name HG2# ))   ( (resid  61 and name HA   )) assign ((resid  54 and name HG2# ))   ( (resid  61 and name HB   )) assign ((resid  54 and name HG2# ))   ( (resid  62 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  62 and name HN   )) assign ((resid  55 and name HN   ))   ( (resid  62 and name HB#  )) assign ((resid  55 and name HN   ))   ( (resid  63 and name HA   )) assign ((resid  55 and name HA   ))   ( (resid  55 and name HD#  )) assign ((resid  55 and name HA   ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HB#  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HB#  ))   ( (resid  62 and name HN   )) assign ((resid  55 and name HB2  ))   ( (resid  62 and name HB#  )) assign ((resid  55 and name HB1  ))   ( (resid  62 and name HB#  )) assign ((resid  55 and name HD#  ))   ( (resid  56 and name HN   )) assign ((resid  55 and name HD#  ))   ( (resid  57 and name HG1# )) assign ((resid  55 and name HD#  ))   ( (resid  62 and name HB#  )) assign ((resid  55 and name HE#  ))   ( (resid  57 and name HB   )) assign ((resid  55 and name HE#  ))   ( (resid  57 and name HG1# )) assign ((resid  55 and name HE#  ))   ( (resid  57 and name HG2# )) assign ((resid  55 and name HE#  ))   ( (resid  60 and name HZ   )) assign ((resid  55 and name HZ   ))   ( (resid  57 and name HG1# )) assign ((resid  55 and name HZ   ))   ( (resid  57 and name HG2# )) assign ((resid  56 and name HN   ))   ( (resid  61 and name HG2# )) assign ((resid  56 and name HA   ))   ( (resid  56 and name HD2  )) assign ((resid  56 and name HA   ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HA   ))   ( (resid  57 and name HG1# )) assign ((resid  56 and name HA   ))   ( (resid  61 and name HA   )) assign ((resid  56 and name HA   ))   ( (resid  61 and name HG2# )) assign ((resid  56 and name HB#  ))   ( (resid  56 and name HD2  )) assign ((resid  56 and name HB#  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HB2  ))   ( (resid  61 and name HG2# )) assign ((resid  56 and name HB1  ))   ( (resid  61 and name HG2# )) assign ((resid  56 and name HD2  ))   ( (resid  57 and name HN   )) assign ((resid  56 and name HD2  ))   ( (resid  57 and name HA   )) assign ((resid  56 and name HD2  ))   ( (resid  60 and name HN   )) assign ((resid  56 and name HD2  ))   ( (resid  61 and name HA   )) assign ((resid  56 and name HD2  ))   ( (resid  61 and name HG1# )) assign ((resid  56 and name HD2  ))   ( (resid  61 and name HG2# )) assign ((resid  56 and name HD2  ))   ( (resid  61 and name HD1# )) assign ((resid  57 and name HN   ))   ( (resid  57 and name HG1# )) assign ((resid  57 and name HN   ))   ( (resid  57 and name HG2# )) assign ((resid  57 and name HN   ))   ( (resid  60 and name HN   )) assign ((resid  57 and name HN   ))   ( (resid  61 and name HA   )) assign ((resid  57 and name HN   ))   ( (resid  61 and name HG2# )) assign ((resid  57 and name HN   ))   ( (resid  62 and name HN   )) assign ((resid  57 and name HA   ))   ( (resid  58 and name HN   )) assign ((resid  57 and name HB   ))   ( (resid  58 and name HN   )) assign ((resid  57 and name HB   ))   ( (resid  60 and name HZ   )) assign ((resid  57 and name HG1# ))   ( (resid  58 and name HN   )) assign ((resid  57 and name HG2# ))   ( (resid  58 and name HN   )) assign ((resid  57 and name HG1# ))   ( (resid  58 and name HB#  )) assign ((resid  57 and name HG1# ))   ( (resid  58 and name HG#  )) assign ((resid  57 and name HG2# ))   ( (resid  58 and name HG#  )) assign ((resid  57 and name HG1# ))   ( (resid  60 and name HN   )) assign ((resid  57 and name HG1# ))   ( (resid  60 and name HD#  )) assign ((resid  57 and name HG1# ))   ( (resid  60 and name HE#  )) assign ((resid  57 and name HG1# ))   ( (resid  60 and name HZ   )) assign ((resid  57 and name HG2# ))   ( (resid  60 and name HZ   )) assign ((resid  58 and name HN   ))   ( (resid  58 and name HG#  )) assign ((resid  58 and name HB#  ))   ( (resid  59 and name HN   )) assign ((resid  58 and name HB#  ))   ( (resid  60 and name HN   )) assign ((resid  58 and name HB#  ))   ( (resid  60 and name HD#  )) assign ((resid  58 and name HB#  ))   ( (resid  60 and name HE#  )) assign ((resid  58 and name HG#  ))   ( (resid  59 and name HB2  )) assign ((resid  58 and name HG#  ))   ( (resid  59 and name HB1  )) assign ((resid  59 and name HN   ))   ( (resid  60 and name HN   )) assign ((resid  59 and name HN   ))   ( (resid  60 and name HD#  )) assign ((resid  59 and name HN   ))   ( (resid  60 and name HE#  )) assign ((resid  59 and name HB#  ))   ( (resid  60 and name HN   )) assign ((resid  60 and name HA   ))   ( (resid  60 and name HD#  )) assign ((resid  60 and name HA   ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HA   ))   ( (resid  61 and name HG1# )) assign ((resid  60 and name HB2  ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HB1  ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HD#  ))   ( (resid  61 and name HN   )) assign ((resid  60 and name HD#  ))   ( (resid  61 and name HA   )) assign ((resid  60 and name HD#  ))   ( (resid  61 and name HG1# )) assign ((resid  60 and name HD#  ))   ( (resid  61 and name HG2# )) assign ((resid  60 and name HD#  ))   ( (resid  62 and name HN   )) assign ((resid  60 and name HD#  ))   ( (resid  62 and name HB#  )) assign ((resid  60 and name HE#  ))   ( (resid  62 and name HB#  )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HG12 )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HG11 )) assign ((resid  61 and name HN   ))   ( (resid  61 and name HD1# )) assign ((resid  61 and name HN   ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HA   ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HB   ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HB   ))   ( (resid  63 and name HG2# )) assign ((resid  61 and name HG12 ))   ( (resid  61 and name HG2# )) assign ((resid  61 and name HG11 ))   ( (resid  61 and name HG2# )) assign ((resid  61 and name HG1# ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HG2# ))   ( (resid  62 and name HN   )) assign ((resid  61 and name HG2# ))   ( (resid  63 and name HG2# )) assign ((resid  61 and name HD1# ))   ( (resid  82 and name HE#  )) assign ((resid  61 and name HD1# ))   ( (resid  82 and name HZ   )) assign ((resid  62 and name HN   ))   ( (resid  63 and name HG2# )) assign ((resid  62 and name HA   ))   ( (resid  63 and name HN   )) assign ((resid  62 and name HA   ))   ( (resid  63 and name HG2# )) assign ((resid  62 and name HB#  ))   ( (resid  63 and name HN   )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HB   )) assign ((resid  63 and name HN   ))   ( (resid  63 and name HG2# )) assign ((resid  63 and name HB   ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HB   ))   ( (resid  71 and name HZ2  )) assign ((resid  63 and name HB   ))   ( (resid  71 and name HH2  )) assign ((resid  63 and name HG1# ))   ( (resid  64 and name HN   )) assign ((resid  63 and name HG1# ))   ( (resid  64 and name HA   )) assign ((resid  63 and name HG1# ))   ( (resid  71 and name HZ2  )) assign ((resid  63 and name HG1# ))   ( (resid  71 and name HH2  )) assign ((resid  63 and name HG1# ))   ( (resid  71 and name HZ3  )) assign ((resid  64 and name HA   ))   ( (resid  65 and name HN   )) assign ((resid  64 and name HA   ))   ( (resid  71 and name HZ2  )) assign ((resid  64 and name HA   ))   ( (resid  71 and name HH2  )) assign ((resid  64 and name HB2  ))   ( (resid  65 and name HN   )) assign ((resid  64 and name HB1  ))   ( (resid  65 and name HN   )) assign ((resid  65 and name HN   ))   ( (resid  65 and name HG2  )) assign ((resid  65 and name HN   ))   ( (resid  65 and name HG1  )) assign ((resid  65 and name HN   ))   ( (resid  65 and name HD2  )) assign ((resid  65 and name HN   ))   ( (resid  65 and name HD1  )) assign ((resid  65 and name HN   ))   ( (resid  71 and name HZ2  )) assign ((resid  65 and name HN   ))   ( (resid  71 and name HH2  )) assign ((resid  65 and name HA   ))   ( (resid  69 and name HB#  )) assign ((resid  65 and name HB2  ))   ( (resid  65 and name HD2  )) assign ((resid  65 and name HB2  ))   ( (resid  65 and name HD1  )) assign ((resid  65 and name HB1  ))   ( (resid  65 and name HD2  )) assign ((resid  65 and name HB1  ))   ( (resid  65 and name HD1  )) assign ((resid  65 and name HB2  ))   ( (resid  66 and name HN   )) assign ((resid  65 and name HB1  ))   ( (resid  66 and name HN   )) assign ((resid  65 and name HB#  ))   ( (resid  69 and name HB#  )) assign ((resid  65 and name HB#  ))   ( (resid  71 and name HZ2  )) assign ((resid  65 and name HB#  ))   ( (resid  71 and name HH2  )) assign ((resid  65 and name HG2  ))   ( (resid  65 and name HE#  )) assign ((resid  65 and name HG1  ))   ( (resid  65 and name HE#  )) assign ((resid  65 and name HG2  ))   ( (resid  66 and name HN   )) assign ((resid  65 and name HG1  ))   ( (resid  66 and name HN   )) assign ((resid  65 and name HG#  ))   ( (resid  66 and name HA   )) assign ((resid  65 and name HG2  ))   ( (resid  71 and name HE1  )) assign ((resid  65 and name HG1  ))   ( (resid  71 and name HE1  )) assign ((resid  65 and name HG2  ))   ( (resid  71 and name HZ2  )) assign ((resid  65 and name HG1  ))   ( (resid  71 and name HZ2  )) assign ((resid  65 and name HG#  ))   ( (resid  71 and name HH2  )) assign ((resid  65 and name HD2  ))   ( (resid  66 and name HN   )) assign ((resid  65 and name HD1  ))   ( (resid  66 and name HN   )) assign ((resid  65 and name HD#  ))   ( (resid  69 and name HN   )) assign ((resid  65 and name HD2  ))   ( (resid  69 and name HB#  )) assign ((resid  65 and name HD1  ))   ( (resid  69 and name HB#  )) assign ((resid  65 and name HD#  ))   ( (resid  71 and name HN   )) assign ((resid  65 and name HD#  ))   ( (resid  71 and name HE1  )) assign ((resid  65 and name HE#  ))   ( (resid  71 and name HN   )) assign ((resid  65 and name HE#  ))   ( (resid  71 and name HD1  )) assign ((resid  65 and name HE#  ))   ( (resid  71 and name HE1  )) assign ((resid  65 and name HE#  ))   ( (resid  71 and name HZ2  )) assign ((resid  66 and name HN   ))   ( (resid  66 and name HG2  )) assign ((resid  66 and name HN   ))   ( (resid  66 and name HG1  )) assign ((resid  66 and name HN   ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HN   ))   ( (resid  69 and name HB#  )) assign ((resid  66 and name HA   ))   ( (resid  67 and name HB#  )) assign ((resid  66 and name HB#  ))   ( (resid  67 and name HN   )) assign ((resid  66 and name HB#  ))   ( (resid  67 and name HB#  )) assign ((resid  66 and name HB2  ))   ( (resid  68 and name HN   )) assign ((resid  66 and name HB1  ))   ( (resid  68 and name HN   )) assign ((resid  66 and name HB2  ))   ( (resid  69 and name HN   )) assign ((resid  66 and name HB1  ))   ( (resid  69 and name HN   )) assign ((resid  66 and name HB2  ))   ( (resid  69 and name HB#  )) assign ((resid  66 and name HB1  ))   ( (resid  69 and name HB#  )) assign ((resid  66 and name HG#  ))   ( (resid  69 and name HB#  )) assign ((resid  67 and name HN   ))   ( (resid  68 and name HN   )) assign ((resid  67 and name HB#  ))   ( (resid  68 and name HN   )) assign ((resid  68 and name HN   ))   ( (resid  69 and name HN   )) assign ((resid  68 and name HB#  ))   ( (resid  69 and name HN   )) assign ((resid  69 and name HB#  ))   ( (resid  70 and name HN   )) assign ((resid  69 and name HB#  ))   ( (resid  74 and name HG2# )) assign ((resid  70 and name HN   ))   ( (resid  74 and name HG2# )) assign ((resid  70 and name HA   ))   ( (resid  71 and name HN   )) assign ((resid  70 and name HB1  ))   ( (resid  70 and name HD22 )) assign ((resid  70 and name HB2  ))   ( (resid  71 and name HN   )) assign ((resid  70 and name HB1  ))   ( (resid  71 and name HN   )) assign ((resid  70 and name HB2  ))   ( (resid  72 and name HN   )) assign ((resid  70 and name HB1  ))   ( (resid  72 and name HN   )) assign ((resid  70 and name HB2  ))   ( (resid  73 and name HN   )) assign ((resid  70 and name HB1  ))   ( (resid  73 and name HN   )) assign ((resid  71 and name HN   ))   ( (resid  71 and name HD1  )) assign ((resid  71 and name HN   ))   ( (resid  72 and name HN   )) assign ((resid  71 and name HN   ))   ( (resid  73 and name HN   )) assign ((resid  71 and name HA   ))   ( (resid  73 and name HN   )) assign ((resid  71 and name HA   ))   ( (resid  74 and name HN   )) assign ((resid  71 and name HA   ))   ( (resid  75 and name HN   )) assign ((resid  71 and name HB2  ))   ( (resid  71 and name HD1  )) assign ((resid  71 and name HB1  ))   ( (resid  71 and name HD1  )) assign ((resid  71 and name HB#  ))   ( (resid  71 and name HE1  )) assign ((resid  71 and name HB#  ))   ( (resid  71 and name HE3  )) assign ((resid  71 and name HB#  ))   ( (resid  72 and name HN   )) assign ((resid  71 and name HB#  ))   ( (resid  75 and name HB#  )) assign ((resid  71 and name HB#  ))   ( (resid  75 and name HD1# )) assign ((resid  71 and name HH2  ))   ( (resid  74 and name HG1# )) assign ((resid  71 and name HZ3  ))   ( (resid  74 and name HB   )) assign ((resid  71 and name HZ3  ))   ( (resid  74 and name HG1# )) assign ((resid  71 and name HZ3  ))   ( (resid  78 and name HG2# )) assign ((resid  71 and name HE3  ))   ( (resid  74 and name HB   )) assign ((resid  71 and name HE3  ))   ( (resid  74 and name HG1# )) assign ((resid  71 and name HE3  ))   ( (resid  75 and name HN   )) assign ((resid  71 and name HE3  ))   ( (resid  75 and name HB#  )) assign ((resid  71 and name HE3  ))   ( (resid  75 and name HG   )) assign ((resid  71 and name HE3  ))   ( (resid  75 and name HD1# )) assign ((resid  72 and name HN   ))   ( (resid  72 and name HG#  )) assign ((resid  72 and name HN   ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HA   ))   ( (resid  74 and name HN   )) assign ((resid  72 and name HA   ))   ( (resid  75 and name HB#  )) assign ((resid  72 and name HB2  ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HB1  ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HG#  ))   ( (resid  73 and name HN   )) assign ((resid  72 and name HG#  ))   ( (resid  75 and name HB#  )) assign ((resid  73 and name HN   ))   ( (resid  74 and name HN   )) assign ((resid  73 and name HN   ))   ( (resid  74 and name HB   )) assign ((resid  73 and name HN   ))   ( (resid  74 and name HG1# )) assign ((resid  73 and name HN   ))   ( (resid  74 and name HG2# )) assign ((resid  73 and name HN   ))   ( (resid  75 and name HN   )) assign ((resid  73 and name HB   ))   ( (resid  74 and name HN   )) assign ((resid  73 and name HG2# ))   ( (resid  74 and name HN   )) assign ((resid  73 and name HG2# ))   ( (resid  74 and name HA   )) assign ((resid  73 and name HG2# ))   ( (resid  74 and name HG1# )) assign ((resid  73 and name HG2# ))   ( (resid  77 and name HD#  )) assign ((resid  73 and name HG2# ))   ( (resid  77 and name HE#  )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HB   )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG1# )) assign ((resid  74 and name HN   ))   ( (resid  74 and name HG2# )) assign ((resid  74 and name HN   ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HN   ))   ( (resid  76 and name HD#  )) assign ((resid  74 and name HA   ))   ( (resid  77 and name HN   )) assign ((resid  74 and name HA   ))   ( (resid  77 and name HB#  )) assign ((resid  74 and name HA   ))   ( (resid  77 and name HD2  )) assign ((resid  74 and name HA   ))   ( (resid  77 and name HD1  )) assign ((resid  74 and name HB   ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HG1# ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HG2# ))   ( (resid  75 and name HN   )) assign ((resid  74 and name HG1# ))   ( (resid  77 and name HN   )) assign ((resid  74 and name HG2# ))   ( (resid  77 and name HN   )) assign ((resid  74 and name HG2# ))   ( (resid  77 and name HD#  )) assign ((resid  74 and name HG1# ))   ( (resid  78 and name HN   )) assign ((resid  74 and name HG1# ))   ( (resid  78 and name HG2# )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HG   )) assign ((resid  75 and name HN   ))   ( (resid  75 and name HD1# )) assign ((resid  75 and name HN   ))   ( (resid  76 and name HD2  )) assign ((resid  75 and name HN   ))   ( (resid  76 and name HD1  )) assign ((resid  75 and name HN   ))   ( (resid  77 and name HN   )) assign ((resid  75 and name HA   ))   ( (resid  78 and name HB   )) assign ((resid  75 and name HA   ))   ( (resid  78 and name HG1# )) assign ((resid  75 and name HA   ))   ( (resid  78 and name HG2# )) assign ((resid  75 and name HA   ))   ( (resid  79 and name HN   )) assign ((resid  75 and name HB#  ))   ( (resid  75 and name HD1# )) assign ((resid  75 and name HB#  ))   ( (resid  75 and name HD2# )) assign ((resid  75 and name HB#  ))   ( (resid  76 and name HD2  )) assign ((resid  75 and name HB#  ))   ( (resid  76 and name HD1  )) assign ((resid  75 and name HG   ))   ( (resid  76 and name HD#  )) assign ((resid  75 and name HD1# ))   ( (resid  76 and name HD#  )) assign ((resid  75 and name HD2# ))   ( (resid  76 and name HD#  )) assign ((resid  75 and name HD1# ))   ( (resid  78 and name HB   )) assign ((resid  75 and name HD2# ))   ( (resid  78 and name HB   )) assign ((resid  76 and name HA   ))   ( (resid  79 and name HN   )) assign ((resid  76 and name HA   ))   ( (resid  80 and name HN   )) assign ((resid  76 and name HB2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HB1  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG#  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HG#  ))   ( (resid  77 and name HD#  )) assign ((resid  76 and name HD2  ))   ( (resid  77 and name HN   )) assign ((resid  76 and name HD1  ))   ( (resid  77 and name HN   )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HG2  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HG1  )) assign ((resid  77 and name HN   ))   ( (resid  77 and name HD#  )) assign ((resid  77 and name HN   ))   ( (resid  78 and name HN   )) assign ((resid  77 and name HN   ))   ( (resid  78 and name HG2# )) assign ((resid  77 and name HN   ))   ( (resid  79 and name HN   )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HD2  )) assign ((resid  77 and name HA   ))   ( (resid  77 and name HD1  )) assign ((resid  77 and name HA   ))   ( (resid  80 and name HN   )) assign ((resid  77 and name HA   ))   ( (resid  80 and name HB#  )) assign ((resid  77 and name HB#  ))   ( (resid  77 and name HD2  )) assign ((resid  77 and name HB#  ))   ( (resid  77 and name HD1  )) assign ((resid  77 and name HB2  ))   ( (resid  78 and name HN   )) assign ((resid  77 and name HB1  ))   ( (resid  78 and name HN   )) assign ((resid  77 and name HB#  ))   ( (resid  78 and name HA   )) assign ((resid  77 and name HB#  ))   ( (resid  78 and name HG2# )) assign ((resid  77 and name HG2  ))   ( (resid  77 and name HE#  )) assign ((resid  77 and name HG1  ))   ( (resid  77 and name HE#  )) assign ((resid  78 and name HN   ))   ( (resid  78 and name HB   )) assign ((resid  78 and name HN   ))   ( (resid  78 and name HG1# )) assign ((resid  78 and name HN   ))   ( (resid  78 and name HG2# )) assign ((resid  78 and name HN   ))   ( (resid  79 and name HN   )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HN   )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HB   )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HG1# )) assign ((resid  78 and name HA   ))   ( (resid  81 and name HG2# )) assign ((resid  78 and name HB   ))   ( (resid  79 and name HN   )) assign ((resid  78 and name HG1# ))   ( (resid  79 and name HN   )) assign ((resid  78 and name HG2# ))   ( (resid  79 and name HN   )) assign ((resid  78 and name HG1# ))   ( (resid  79 and name HA   )) assign ((resid  78 and name HG1# ))   ( (resid  81 and name HB   )) assign ((resid  78 and name HG1# ))   ( (resid  82 and name HD#  )) assign ((resid  78 and name HG1# ))   ( (resid  82 and name HE#  )) assign ((resid  78 and name HG1# ))   ( (resid  82 and name HZ   )) assign ((resid  79 and name HN   ))   ( (resid  79 and name HG#  )) assign ((resid  79 and name HN   ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HN   ))   ( (resid  80 and name HB#  )) assign ((resid  79 and name HA   ))   ( (resid  82 and name HN   )) assign ((resid  79 and name HA   ))   ( (resid  82 and name HD#  )) assign ((resid  79 and name HB#  ))   ( (resid  80 and name HN   )) assign ((resid  79 and name HG#  ))   ( (resid  82 and name HD#  )) assign ((resid  79 and name HG#  ))   ( (resid  83 and name HB2  )) assign ((resid  79 and name HG#  ))   ( (resid  83 and name HB1  )) assign ((resid  79 and name HG#  ))   ( (resid  83 and name HG#  )) assign ((resid  80 and name HN   ))   ( (resid  81 and name HN   )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HB2  )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HB1  )) assign ((resid  80 and name HA   ))   ( (resid  83 and name HG#  )) assign ((resid  80 and name HB#  ))   ( (resid  81 and name HN   )) assign ((resid  80 and name HB#  ))   ( (resid  81 and name HA   )) assign ((resid  80 and name HB#  ))   ( (resid  83 and name HN   )) assign ((resid  81 and name HN   ))   ( (resid  81 and name HB   )) assign ((resid  81 and name HN   ))   ( (resid  81 and name HG1# )) assign ((resid  81 and name HN   ))   ( (resid  81 and name HG2# )) assign ((resid  81 and name HN   ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HA   ))   ( (resid  84 and name HG   )) assign ((resid  81 and name HA   ))   ( (resid  84 and name HD1# )) assign ((resid  81 and name HA   ))   ( (resid  84 and name HD2# )) assign ((resid  81 and name HB   ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HB   ))   ( (resid  82 and name HD#  )) assign ((resid  81 and name HB   ))   ( (resid  82 and name HE#  )) assign ((resid  81 and name HG1# ))   ( (resid  82 and name HN   )) assign ((resid  81 and name HG2# ))   ( (resid  82 and name HN   )) assign ((resid  82 and name HN   ))   ( (resid  82 and name HZ   )) assign ((resid  82 and name HN   ))   ( (resid  83 and name HN   )) assign ((resid  82 and name HA   ))   ( (resid  82 and name HD#  )) assign ((resid  82 and name HB2  ))   ( (resid  83 and name HN   )) assign ((resid  82 and name HB1  ))   ( (resid  83 and name HN   )) 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 HN   ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HN   ))   ( (resid  84 and name HG   )) assign ((resid  83 and name HN   ))   ( (resid  84 and name HD2# )) assign ((resid  83 and name HA   ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HB2  ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HB1  ))   ( (resid  84 and name HN   )) assign ((resid  83 and name HB#  ))   ( (resid  84 and name HB#  )) assign ((resid  83 and name HG#  ))   ( (resid  84 and name HN   )) assign ((resid  84 and name HN   ))   ( (resid  84 and name HG   )) assign ((resid  84 and name HN   ))   ( (resid  84 and name HD2# )) assign ((resid  84 and name HN   ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HA   ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HB2  ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HB1  ))   ( (resid  85 and name HN   )) assign ((resid  84 and name HD2# ))   ( (resid  85 and name HN   )) assign ((resid  85 and name HN   ))   ( (resid  85 and name HG#  )) assign ((resid  85 and name HB#  ))   ( (resid  86 and name HN   )) assign ((resid  85 and name HG#  ))   ( (resid  86 and name HN   )) assign ((resid  86 and name HB#  ))   ( (resid  87 and name HN   )) assign ((resid  86 and name HB#  ))   ( (resid  87 and name HA   ))

3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 2.50 0.70 0.40 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 2.50 0.70 0.40 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 4.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 2.50 0.70 0.40 2.50 0.70 0.40 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.60 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 4.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 1.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 4.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 2.50 0.70 0.40 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 3.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 2.00 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 1.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 2.50 0.70 0.40 4.00 2.20 1.60 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 1.50 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 3.00 1.20 1.50 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 2.50 0.70 0.40 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 4.00 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 3.00 3.00 1.20 1.50 4.00 2.20 4.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 3.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 1.00 3.00 1.20 0.50 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 3.00 4.00 2.20 2.00 4.00 2.20 1.00 4.00 2.20 2.00 3.00 1.20 0.50 3.00 1.20 0.50 4.00 2.20 1.00 4.00 2.20 1.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00 4.00 2.20 2.00

list of removed NOE constraints

     1-> MET     1 HA   - MET      1 HG2   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
     2-> MET     1 HA   - MET      1 HG1   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
    12-> LYS     2 HN   - LYS      2 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
    24-> ILE     3 HN   - ILE      3 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
    28-> ILE     3 HN   - ILE      3 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
    33-> ILE     3 HA   - ILE      3 HG12  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
    34-> ILE     3 HA   - ILE      3 HG11  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
    35-> ILE     3 HA   - ILE      3 HG2#  1.80  5.60 	 # NoRestrctn I [2.63 3.78] -- intra 
    36-> ILE     3 HA   - ILE      3 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
    42-> ILE     3 HB   - ILE      3 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
    43-> ILE     3 HG1# - ILE      3 HG2#  1.80  7.00 	 # NoRestrctn I [2.00 5.00] -- intra 
    53-> ILE     3 HG2# - ILE      3 HD1#  1.80  7.00 	 # NoRestrctn I [2.92 5.00] -- intra 
    70-> ILE     4 HN   - ILE      4 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
    74-> ILE     4 HN   - ILE      4 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
    80-> ILE     4 HA   - ILE      4 HG12  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
    81-> ILE     4 HA   - ILE      4 HG11  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
    82-> ILE     4 HA   - ILE      4 HG2#  1.80  5.60 	 # NoRestrctn I [2.63 3.78] -- intra 
    83-> ILE     4 HA   - ILE      4 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
    84-> ILE     4 HA   - SER      5 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
    85-> ILE     4 HB   - ILE      4 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
    90-> ILE     4 HG1# - ILE      4 HG2#  1.80  7.00 	 # NoRestrctn I [2.00 5.00] -- intra 
   107-> SER     5 HN   - SER      5 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   108-> SER     5 HN   - SER      5 HB#   1.80  6.00 	 # NoRestrctn I [2.29 3.93] -- intra 
   114-> SER     5 HA   - ILE      6 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   117-> ILE     6 HN   - ILE      6 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   120-> ILE     6 HN   - ILE      6 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
   123-> ILE     6 HB   - ILE      6 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
   138-> SER     7 HN   - SER      7 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   139-> SER     7 HN   - SER      7 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   140-> SER     7 HN   - SER      7 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   149-> GLU     8 HN   - GLU      8 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   158-> THR     9 HN   - THR      9 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   159-> THR     9 HN   - THR      9 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 5.99] -- intra 
   160-> THR     9 HN   - PRO     10 HA    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   168-> PRO    10 HA   - ASN     11 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   175-> PRO    10 HD#  - ASN     11 HB#   1.80  7.00 	 # NoRestrctn S [2.00 5.99] -- sequential
   176-> ASN    11 HN   - ASN     11 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   179-> ASN    11 HB2  - ASN     11 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
   180-> ASN    11 HB1  - ASN     11 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
   185-> ASN    13 HN   - ASN     13 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   186-> ASN    13 HN   - ASN     13 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   187-> ASN    13 HN   - ASN     13 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   189-> ASN    13 HA   - THR     14 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   192-> ASN    13 HB2  - ASN     13 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
   194-> ASN    13 HB1  - ASN     13 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
   203-> THR    14 HN   - THR     14 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   204-> THR    14 HN   - THR     14 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   206-> THR    14 HA   - THR     14 HG2#  1.80  5.60 	 # NoRestrctn I [2.00 4.50] -- intra 
   222-> MET    15 HN   - MET     15 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   223-> MET    15 HN   - MET     15 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   224-> MET    15 HN   - MET     15 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   248-> LYS    16 HN   - LYS     16 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   249-> LYS    16 HN   - LYS     16 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   250-> LYS    16 HN   - LYS     16 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   254-> LYS    16 HA   - LYS     16 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
   255-> LYS    16 HA   - ILE     17 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   259-> LYS    16 HB2  - LYS     16 HD#   1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   260-> LYS    16 HB1  - LYS     16 HD#   1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   276-> ILE    17 HN   - ILE     17 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   288-> ILE    17 HB   - ILE     17 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
   292-> ILE    17 HG1# - ILE     17 HG2#  1.80  7.00 	 # NoRestrctn I [2.00 5.00] -- intra 
   306-> THR    18 HN   - THR     18 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   308-> THR    18 HN   - THR     18 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 5.99] -- intra 
   317-> LEU    19 HN   - LEU     19 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   318-> LEU    19 HN   - LEU     19 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   319-> LEU    19 HN   - LEU     19 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   326-> LEU    19 HA   - LEU     19 HD2#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
   328-> LEU    19 HB2  - LEU     19 HD1#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   329-> LEU    19 HB2  - LEU     19 HD2#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   330-> LEU    19 HB1  - LEU     19 HD1#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   331-> LEU    19 HB1  - LEU     19 HD2#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   351-> SER    20 HN   - SER     20 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   352-> SER    20 HN   - SER     20 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   353-> SER    20 HN   - SER     20 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   355-> SER    20 HN   - GLU     21 HA    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   356-> SER    20 HA   - GLU     21 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   358-> GLU    21 HN   - GLU     21 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   359-> GLU    21 HN   - GLU     21 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   360-> GLU    21 HN   - GLU     21 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   369-> SER    22 HN   - SER     22 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
   374-> ARG    23 HN   - ARG     23 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   375-> ARG    23 HN   - ARG     23 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   376-> ARG    23 HN   - ARG     23 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   380-> ARG    23 HA   - ARG     23 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
   382-> ARG    23 HB2  - ARG     23 HD#   1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   383-> ARG    23 HB1  - ARG     23 HD#   1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   389-> GLU    24 HN   - GLU     24 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   390-> GLU    24 HN   - GLU     24 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
   392-> GLU    24 HA   - GLU     24 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
   397-> GLY    25 HN   - GLY     25 HA#   1.80  5.60 	 # NoRestrctn I [2.00 2.99] -- intra 
   399-> GLY    25 HA#  - MET     26 HN    1.80  5.60 	 # NoRestrctn S [2.00 3.55] -- sequential
   401-> MET    26 HN   - MET     26 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   402-> MET    26 HN   - MET     26 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   403-> MET    26 HN   - MET     26 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   409-> THR    27 HN   - THR     27 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   410-> THR    27 HN   - THR     27 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   411-> THR    27 HN   - THR     27 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 5.99] -- intra 
   412-> THR    27 HA   - THR     27 HG2#  1.80  5.60 	 # NoRestrctn I [2.00 4.50] -- intra 
   416-> SER    28 HN   - SER     28 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   417-> SER    28 HN   - SER     28 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   418-> SER    28 HN   - SER     28 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   431-> ASP    29 HN   - ASP     29 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   432-> ASP    29 HN   - ASP     29 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   433-> ASP    29 HN   - ASP     29 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   449-> THR    30 HN   - THR     30 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   451-> THR    30 HN   - THR     30 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 5.99] -- intra 
   453-> THR    30 HA   - THR     30 HG2#  1.80  5.60 	 # NoRestrctn I [2.00 4.50] -- intra 
   462-> TYR    31 HN   - TYR     31 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   463-> TYR    31 HN   - TYR     31 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   464-> TYR    31 HN   - TYR     31 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   465-> TYR    31 HN   - TYR     31 HD#   1.80  7.00 	 # NoRestrctn I [2.29 6.01] -- intra 
   474-> TYR    31 HB2  - TYR     31 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
   475-> TYR    31 HB1  - TYR     31 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
   509-> THR    32 HN   - THR     32 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   510-> THR    32 HN   - THR     32 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   511-> THR    32 HN   - THR     32 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 5.99] -- intra 
   513-> THR    32 HN   - LYS     33 HA    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   516-> THR    32 HA   - LYS     33 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   523-> LYS    33 HN   - LYS     33 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   524-> LYS    33 HN   - LYS     33 HB#   1.80  6.00 	 # NoRestrctn I [2.29 3.93] -- intra 
   533-> LYS    33 HG#  - LYS     33 HE#   1.80  7.00 	 # NoRestrctn I [2.52 3.73] -- intra 
   534-> VAL    34 HN   - VAL     34 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   539-> VAL    34 HA   - VAL     34 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
   540-> VAL    34 HA   - VAL     34 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
   567-> ASP    35 HN   - ASP     35 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   568-> ASP    35 HN   - ASP     35 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   569-> ASP    35 HN   - ASP     35 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   578-> ASP    36 HN   - ASP     36 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   579-> ASP    36 HA   - SER     37 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   581-> SER    37 HN   - SER     37 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   582-> SER    37 HN   - SER     37 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   583-> SER    37 HN   - SER     37 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   587-> SER    37 HA   - GLN     38 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   589-> GLN    38 HN   - GLN     38 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   590-> GLN    38 HN   - GLN     38 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   591-> GLN    38 HN   - GLN     38 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   596-> GLN    38 HA   - PRO     39 HD#   1.80  6.00 	 # NoRestrctn S [2.00 3.95] -- sequential
   612-> GLN    38 HG#  - GLN     38 HE21  1.80  6.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   653-> ALA    40 HN   - ALA     40 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   654-> ALA    40 HN   - ALA     40 HB#   1.80  5.60 	 # NoRestrctn I [2.66 3.68] -- intra 
   656-> ALA    40 HA   - PHE     41 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   665-> ALA    40 HB#  - PHE     41 HD#   1.80  8.00 	 # NoRestrctn S [2.00 5.99] -- sequential
   667-> PHE    41 HN   - PHE     41 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   668-> PHE    41 HN   - PHE     41 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   669-> PHE    41 HN   - PHE     41 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   670-> PHE    41 HN   - PHE     41 HD#   1.80  7.00 	 # NoRestrctn I [2.29 6.01] -- intra 
   674-> PHE    41 HA   - ILE     42 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   676-> PHE    41 HB2  - PHE     41 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
   677-> PHE    41 HB1  - PHE     41 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
   686-> ILE    42 HN   - ILE     42 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   690-> ILE    42 HN   - ILE     42 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
   693-> ILE    42 HA   - ILE     42 HG12  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
   694-> ILE    42 HA   - ILE     42 HG11  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
   695-> ILE    42 HA   - ILE     42 HG2#  1.80  5.60 	 # NoRestrctn I [2.63 3.78] -- intra 
   696-> ILE    42 HA   - ILE     42 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
   697-> ILE    42 HA   - ASN     43 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   704-> ILE    42 HB   - ILE     42 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
   712-> ILE    42 HG2# - ILE     42 HD1#  1.80  7.00 	 # NoRestrctn I [2.92 5.00] -- intra 
   738-> ASN    43 HN   - ASN     43 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   745-> ASN    43 HA   - ASP     44 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   751-> ASN    43 HB2  - ASN     43 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
   753-> ASN    43 HB1  - ASN     43 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
   758-> ASP    44 HN   - ASP     44 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   763-> ASP    44 HA   - ILE     45 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   769-> ILE    45 HN   - ILE     45 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   773-> ILE    45 HN   - ILE     45 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
   780-> ILE    45 HA   - ILE     45 HG12  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
   781-> ILE    45 HA   - ILE     45 HG11  1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
   782-> ILE    45 HA   - ILE     45 HG2#  1.80  5.60 	 # NoRestrctn I [2.63 3.78] -- intra 
   783-> ILE    45 HA   - ILE     45 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
   784-> ILE    45 HA   - LEU     46 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   788-> ILE    45 HB   - ILE     45 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
   801-> ILE    45 HG2# - ILE     45 HD1#  1.80  7.00 	 # NoRestrctn I [2.92 5.00] -- intra 
   817-> LEU    46 HN   - LEU     46 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   818-> LEU    46 HN   - LEU     46 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   819-> LEU    46 HN   - LEU     46 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   825-> LEU    46 HA   - LEU     46 HG    1.80  5.00 	 # NoRestrctn I [2.06 4.26] -- intra 
   826-> LEU    46 HA   - LEU     46 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
   827-> LEU    46 HA   - LEU     46 HD2#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
   828-> LEU    46 HA   - LYS     47 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   832-> LEU    46 HB2  - LEU     46 HD1#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   833-> LEU    46 HB2  - LEU     46 HD2#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   834-> LEU    46 HB1  - LEU     46 HD1#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   835-> LEU    46 HB1  - LEU     46 HD2#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   838-> LEU    46 HB#  - LYS     47 HD#   1.80  7.00 	 # NoRestrctn S [2.00 5.99] -- sequential
   849-> LYS    47 HN   - LYS     47 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   850-> LYS    47 HN   - LYS     47 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   851-> LYS    47 HN   - LYS     47 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   857-> LYS    47 HA   - LYS     47 HG2   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
   858-> LYS    47 HA   - LYS     47 HG1   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
   860-> LYS    47 HA   - VAL     48 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   861-> LYS    47 HB2  - LYS     47 HD#   1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   862-> LYS    47 HB1  - LYS     47 HD#   1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
   869-> VAL    48 HN   - VAL     48 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   874-> VAL    48 HA   - VAL     48 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
   875-> VAL    48 HA   - VAL     48 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
   904-> GLU    49 HN   - GLU     49 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
   905-> GLU    49 HN   - GLU     49 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
   907-> GLU    49 HA   - GLU     49 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
   913-> GLY    50 HN   - GLY     50 HA2   1.80  5.00 	 # NoRestrctn I [2.00 2.99] -- intra 
   914-> GLY    50 HN   - GLY     50 HA1   1.80  5.00 	 # NoRestrctn I [2.00 2.99] -- intra 
   918-> GLY    50 HA2  - VAL     51 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   919-> GLY    50 HA1  - VAL     51 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   928-> VAL    51 HN   - VAL     51 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   932-> VAL    51 HA   - VAL     51 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
   933-> VAL    51 HA   - VAL     51 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
   946-> LYS    52 HN   - LYS     52 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   947-> LYS    52 HN   - LYS     52 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   948-> LYS    52 HN   - LYS     52 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   953-> LYS    52 HA   - SER     53 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
   966-> SER    53 HN   - SER     53 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   967-> SER    53 HN   - SER     53 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   968-> SER    53 HN   - SER     53 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   979-> ILE    54 HN   - ILE     54 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
   980-> ILE    54 HN   - ILE     54 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
   982-> ILE    54 HN   - ILE     54 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
   985-> ILE    54 HA   - ILE     54 HG2#  1.80  5.60 	 # NoRestrctn I [2.63 3.78] -- intra 
   988-> ILE    54 HB   - ILE     54 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
  1004-> PHE    55 HN   - PHE     55 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1005-> PHE    55 HN   - PHE     55 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1006-> PHE    55 HN   - PHE     55 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1013-> PHE    55 HB2  - PHE     55 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
  1014-> PHE    55 HB1  - PHE     55 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
  1028-> HIS    56 HN   - HIS     56 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1029-> HIS    56 HN   - HIS     56 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1030-> HIS    56 HN   - HIS     56 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1048-> VAL    57 HN   - VAL     57 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1049-> VAL    57 HN   - VAL     57 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1056-> VAL    57 HA   - VAL     57 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
  1057-> VAL    57 HA   - VAL     57 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
  1071-> MET    58 HN   - MET     58 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1072-> MET    58 HN   - MET     58 HB#   1.80  6.00 	 # NoRestrctn I [2.29 3.93] -- intra 
  1074-> MET    58 HA   - MET     58 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
  1075-> MET    58 HA   - ASP     59 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1082-> ASP    59 HN   - ASP     59 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1083-> ASP    59 HN   - ASP     59 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1084-> ASP    59 HN   - ASP     59 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1088-> ASP    59 HA   - PHE     60 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1090-> PHE    60 HN   - PHE     60 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1091-> PHE    60 HN   - PHE     60 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1092-> PHE    60 HN   - PHE     60 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1093-> PHE    60 HN   - PHE     60 HD#   1.80  7.00 	 # NoRestrctn I [2.29 6.01] -- intra 
  1097-> PHE    60 HB2  - PHE     60 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
  1098-> PHE    60 HB1  - PHE     60 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
  1108-> ILE    61 HN   - ILE     61 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1109-> ILE    61 HN   - ILE     61 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1112-> ILE    61 HN   - ILE     61 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 4.91] -- intra 
  1115-> ILE    61 HA   - ILE     61 HG2#  1.80  5.60 	 # NoRestrctn I [2.63 3.78] -- intra 
  1117-> ILE    61 HB   - ILE     61 HD1#  1.80  6.00 	 # NoRestrctn I [2.63 3.78] -- intra 
  1127-> SER    62 HN   - SER     62 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1128-> SER    62 HN   - SER     62 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
  1133-> VAL    63 HN   - VAL     63 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1144-> ASP    64 HN   - ASP     64 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1145-> ASP    64 HN   - ASP     64 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1146-> ASP    64 HN   - ASP     64 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1152-> LYS    65 HN   - LYS     65 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1153-> LYS    65 HN   - LYS     65 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1154-> LYS    65 HN   - LYS     65 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1161-> LYS    65 HA   - LYS     65 HG2   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1162-> LYS    65 HA   - LYS     65 HG1   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1163-> LYS    65 HA   - GLU     66 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1195-> GLU    66 HN   - GLU     66 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1196-> GLU    66 HN   - GLU     66 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1197-> GLU    66 HN   - GLU     66 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1202-> GLU    66 HA   - GLU     66 HG2   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1203-> GLU    66 HA   - GLU     66 HG1   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1204-> GLU    66 HA   - ASN     67 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1215-> ASN    67 HN   - ASN     67 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1216-> ASN    67 HN   - ASN     67 HB#   1.80  6.00 	 # NoRestrctn I [2.29 3.93] -- intra 
  1218-> ASN    67 HA   - ASP     68 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1219-> ASN    67 HB#  - ASN     67 HD21  1.80  6.00 	 # NoRestrctn I [2.38 3.90] -- intra 
  1220-> ASN    67 HB#  - ASN     67 HD22  1.80  6.00 	 # NoRestrctn I [2.38 3.90] -- intra 
  1222-> ASP    68 HN   - ASP     68 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1223-> ASP    68 HN   - ASP     68 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
  1226-> ALA    69 HN   - ALA     69 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1227-> ALA    69 HN   - ALA     69 HB#   1.80  5.60 	 # NoRestrctn I [2.66 3.68] -- intra 
  1228-> ALA    69 HA   - ASN     70 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1231-> ASN    70 HN   - ASN     70 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1232-> ASN    70 HN   - ASN     70 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1233-> ASN    70 HN   - ASN     70 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1236-> ASN    70 HB2  - ASN     70 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
  1237-> ASN    70 HB1  - ASN     70 HD21  1.80  5.00 	 # NoRestrctn I [2.10 3.57] -- intra 
  1245-> TRP    71 HN   - TRP     71 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1246-> TRP    71 HN   - TRP     71 HB#   1.80  6.00 	 # NoRestrctn I [2.29 3.93] -- intra 
  1270-> GLU    72 HN   - GLU     72 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1271-> GLU    72 HN   - GLU     72 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1272-> GLU    72 HN   - GLU     72 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1275-> GLU    72 HA   - GLU     72 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
  1276-> GLU    72 HA   - THR     73 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1283-> THR    73 HN   - THR     73 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1284-> THR    73 HN   - THR     73 HB    1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1285-> THR    73 HN   - THR     73 HG2#  1.80  6.00 	 # NoRestrctn I [2.04 5.99] -- intra 
  1287-> THR    73 HN   - VAL     74 HA    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1292-> THR    73 HA   - THR     73 HG2#  1.80  5.60 	 # NoRestrctn I [2.00 4.50] -- intra 
  1293-> THR    73 HA   - VAL     74 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1300-> VAL    74 HN   - VAL     74 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1306-> VAL    74 HA   - VAL     74 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
  1307-> VAL    74 HA   - VAL     74 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
  1308-> VAL    74 HA   - LEU     75 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1321-> LEU    75 HN   - LEU     75 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1322-> LEU    75 HN   - LEU     75 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
  1328-> LEU    75 HA   - LEU     75 HG    1.80  5.00 	 # NoRestrctn I [2.06 4.26] -- intra 
  1329-> LEU    75 HA   - LEU     75 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
  1343-> PRO    76 HA   - LYS     77 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1352-> LYS    77 HN   - LYS     77 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1353-> LYS    77 HN   - LYS     77 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1354-> LYS    77 HN   - LYS     77 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1361-> LYS    77 HA   - LYS     77 HG2   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1362-> LYS    77 HA   - LYS     77 HG1   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1365-> LYS    77 HA   - VAL     78 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1376-> VAL    78 HN   - VAL     78 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1381-> VAL    78 HA   - VAL     78 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
  1382-> VAL    78 HA   - VAL     78 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
  1383-> VAL    78 HA   - GLU     79 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1396-> GLU    79 HN   - GLU     79 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1397-> GLU    79 HN   - GLU     79 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
  1401-> GLU    79 HA   - GLU     79 HG2   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1402-> GLU    79 HA   - GLU     79 HG1   1.80  5.00 	 # NoRestrctn I [2.06 4.60] -- intra 
  1403-> GLU    79 HA   - ALA     80 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1411-> ALA    80 HN   - ALA     80 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1412-> ALA    80 HN   - ALA     80 HB#   1.80  5.60 	 # NoRestrctn I [2.66 3.68] -- intra 
  1414-> ALA    80 HA   - VAL     81 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1421-> VAL    81 HN   - VAL     81 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1426-> VAL    81 HA   - VAL     81 HG1#  1.80  6.00 	 # NoRestrctn I [2.23 4.90] -- intra 
  1427-> VAL    81 HA   - VAL     81 HG2#  1.80  6.00 	 # NoRestrctn I [2.00 4.50] -- intra 
  1428-> VAL    81 HA   - PHE     82 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1437-> PHE    82 HN   - PHE     82 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1438-> PHE    82 HN   - PHE     82 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1439-> PHE    82 HN   - PHE     82 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1440-> PHE    82 HN   - PHE     82 HD#   1.80  7.00 	 # NoRestrctn I [2.29 6.01] -- intra 
  1444-> PHE    82 HA   - GLU     83 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1445-> PHE    82 HB2  - PHE     82 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
  1446-> PHE    82 HB1  - PHE     82 HD#   1.80  7.00 	 # FixedDistn I [0.00 0.00] -- intra 
  1450-> GLU    83 HN   - GLU     83 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1451-> GLU    83 HN   - GLU     83 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1452-> GLU    83 HN   - GLU     83 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1457-> GLU    83 HA   - GLU     83 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
  1463-> LEU    84 HN   - LEU     84 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1464-> LEU    84 HN   - LEU     84 HB2   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1465-> LEU    84 HN   - LEU     84 HB1   1.80  5.00 	 # NoRestrctn I [2.00 4.30] -- intra 
  1469-> LEU    84 HA   - LEU     84 HG    1.80  5.00 	 # NoRestrctn I [2.06 4.26] -- intra 
  1470-> LEU    84 HA   - LEU     84 HD1#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
  1471-> LEU    84 HA   - LEU     84 HD2#  1.80  6.00 	 # NoRestrctn I [2.11 5.99] -- intra 
  1473-> LEU    84 HB2  - LEU     84 HD1#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
  1474-> LEU    84 HB2  - LEU     84 HD2#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
  1475-> LEU    84 HB1  - LEU     84 HD1#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
  1476-> LEU    84 HB1  - LEU     84 HD2#  1.80  6.00 	 # NoRestrctn I [2.00 4.90] -- intra 
  1480-> GLU    85 HN   - GLU     85 HA    1.80  3.50 	 # NoRestrctn I [2.22 2.95] -- intra 
  1481-> GLU    85 HN   - GLU     85 HB#   1.80  4.50 	 # NoRestrctn I [2.29 3.93] -- intra 
  1483-> GLU    85 HA   - GLU     85 HG#   1.80  6.00 	 # NoRestrctn I [2.23 4.01] -- intra 
  1484-> GLU    85 HA   - HIS     86 HN    1.80  5.00 	 # NoRestrctn S [2.00 3.99] -- sequential
  1487-> HIS    86 HN   - HIS     86 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
  1490-> HIS    87 HN   - HIS     87 HA    1.80  5.00 	 # NoRestrctn I [2.22 2.95] -- intra 
 ====== TOTAL ======:  353

table of distance constraints violations


  Residual Violations greater than 0.10 

   91-> ILE      4 HG12 - SER      5 HN   [ 1.80  5.00]  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.11 ..  0.11]
  122-> ILE      6 HA   - SER      7 HN   [ 1.80  2.90]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.54 -   1 [ 0.54 ..  0.54]
  129-> ILE      6 HG2* - SER      7 HN   [ 1.80  6.00]  0.08  0.15  0.00  0.00  0.00  0.16  0.00  0.16  0.00  0.00 -   4 [ 0.08 ..  0.16]
  151-> GLU      8 HN   - GLU      8 HB3  [ 1.80  3.50]  0.05  0.00  0.07  0.00  0.18  0.00  0.08  0.00  0.00  0.00 -   5 [ 0.00 ..  0.18]
  154-> GLU      8 HA   - THR      9 HN   [ 1.80  2.90]  0.00  0.36  0.00  0.31  0.17  0.32  0.33  0.00  0.00  0.00 -   5 [ 0.17 ..  0.36]
  155-> GLU      8 HB2  - THR      9 HN   [ 1.80  3.50]  0.02  0.09  0.04  0.10  0.00  0.09  0.15  0.00  0.03  0.03 -   8 [ 0.02 ..  0.15]
  156-> GLU      8 HB3  - THR      9 HN   [ 1.80  3.50]  0.00  0.00  0.00  0.06  0.07  0.12  0.03  0.01  0.04  0.00 -   6 [ 0.01 ..  0.12]
  160-> THR      9 HN   - PRO     10 HA   [ 1.80  5.00]  0.03  0.00  0.00  0.00  0.00  0.00  0.16  0.01  0.02  0.00 -   4 [ 0.01 ..  0.16]
  172-> PRO     10 HG3  - ASN     11 HN   [ 1.80  5.00]  0.00  0.00  0.02  0.11  0.00  0.00  0.01  0.00  0.00  0.00 -   3 [ 0.01 ..  0.11]
  177-> ASN     11 HN   - ASN     11 HB2  [ 1.80  3.50]  0.00  0.00  0.00  0.00  0.05  0.14  0.00  0.07  0.00  0.07 -   4 [ 0.05 ..  0.14]
  197-> ASN     13 HB2  - LYS     65 HN   [ 1.80  5.00]  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.10  0.03  0.03 -   4 [ 0.03 ..  0.10]
  213-> THR     14 HB   - ASP     64 HB2  [ 1.80  3.50]  0.10  0.00  0.14  0.00  0.00  0.12  0.23  0.00  0.20  0.00 -   5 [ 0.10 ..  0.23]
  355-> SER     20 HN   - GLU     21 HA   [ 1.80  5.00]  0.12  0.00  0.00  0.11  0.12  0.05  0.10  0.00  0.13  0.00 -   6 [ 0.05 ..  0.13]
  370-> SER     22 HA   - ARG     23 HN   [ 1.80  2.90]  0.00  0.00  0.00  0.00  0.00  0.46  0.00  0.00  0.00  0.00 -   1 [ 0.46 ..  0.46]
  415-> THR     27 HG2* - SER     28 HN   [ 1.80  6.00]  0.00  0.00  0.00  0.11  0.00  0.00  0.00  0.07  0.07  0.00 -   3 [ 0.07 ..  0.11]
  512-> THR     32 HN   - LYS     33 HN   [ 1.80  2.90]  0.00  0.12  0.00  0.00  0.00  0.00  0.00  0.00  0.02  0.00 -   3 [ 0.00 ..  0.12]
  530-> LYS     33 HA   - VAL     34 HN   [ 1.80  2.90]  0.00  0.00  0.01  0.00  0.00  0.08  0.08  0.44  0.00  0.00 -   4 [ 0.01 ..  0.44]
  535-> VAL     34 HN   - VAL     34 HB   [ 1.80  3.50]  0.08  0.06  0.13  0.00  0.05  0.01  0.08  0.00  0.05  0.00 -   7 [ 0.01 ..  0.13]
  547-> VAL     34 HG1* - ASP     35 HN   [ 1.80  6.00]  0.14  0.00  0.06  0.00  0.07  0.12  0.14  0.00  0.09  0.00 -   6 [ 0.06 ..  0.14]
  619-> GLN     38 HE22 - LEU     46 HD1* [ 1.80  6.00]  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.10 -   1 [ 0.10 ..  0.10]
  930-> VAL     51 HN   - VAL     51 HG2* [ 1.80  6.00]  0.00  0.00  0.33  0.00  0.00  0.00  0.00  0.00  0.00  0.00 -   1 [ 0.33 ..  0.33]
  949-> LYS     52 HN   - SER     53 HN   [ 1.80  3.50]  0.00  0.00  0.24  0.00  0.00  0.00  0.27  0.00  0.24  0.00 -   3 [ 0.24 ..  0.27]
 1062-> VAL     57 HG2* - MET     58 HN   [ 1.80  6.00]  0.00  0.07  0.00  0.00  0.00  0.00  0.00  0.00  0.00  0.11 -   2 [ 0.07 ..  0.11]
 1537-> ASP     64 O    - SER     53 N    [ 2.40  3.30]  0.00  0.02  0.24  0.00  0.00  0.00  0.15  0.01  0.12  0.00 -   5 [ 0.01 ..  0.24]
 1538-> ASP     64 O    - SER     53 HN   [ 1.50  2.30]  0.03  0.08  0.25  0.05  0.02  0.00  0.17  0.05  0.18  0.05 -  10 [ 0.00 ..  0.25]
   -------------------------------------------  
       Number of Violations greater than 0.10               2     3     6     5     3     7     9     3     5     3
   -------------------------------------------  

        ----  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       Averages   
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~     ~~~~~~~~~~~  
      0.1 - 0.2  ang:      2      2      2      4      3      5      6      2      3      2         3.10
      0.2 - 0.5  ang:      0      1      4      1      0      2      3      1      2      0         1.40
        > 0.5    ang:      0      0      0      0      0      0      0      0      0      1         0.10
        Total       :     34     31     40     33     36     38     35     36     30     37        35.00
 Minimum Violation  :  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000  0.000        0.000
 Maximum Violation  :  0.143  0.363  0.326  0.314  0.184  0.458  0.325  0.438  0.236  0.538        0.538
    Max  Intra Viol :  0.089  0.093  0.326  0.094  0.184  0.137  0.096  0.091  0.093  0.090        0.326
    Max  Seque Viol :  0.143  0.363  0.243  0.314  0.173  0.458  0.325  0.438  0.236  0.538        0.538
    Max Medium Viol :  0.020  0.045  0.073  0.049  0.068  0.021  0.084  0.044  0.044  0.043        0.084
    Max   Long Viol :  0.097  0.082  0.249  0.067  0.096  0.118  0.227  0.105  0.205  0.103        0.249
 Average Violation  :  0.001  0.001  0.002  0.001  0.001  0.002  0.002  0.001  0.001  0.001      0.00130
    Avge Intra Viol :  0.001  0.001  0.001  0.000  0.001  0.001  0.001  0.001  0.000  0.001      0.00083
    Avge Seque Viol :  0.000  0.000  0.001  0.000  0.000  0.000  0.000  0.000  0.000  0.000      0.00027
    Avge Mediu Viol :  0.002  0.005  0.003  0.005  0.004  0.007  0.006  0.004  0.003  0.004      0.00428
    Avge  Long Viol :  0.001  0.001  0.002  0.001  0.001  0.001  0.002  0.001  0.001  0.001      0.00110
 RMS     Violation  :  0.009  0.013  0.016  0.012  0.010  0.017  0.017  0.013  0.012  0.016      0.01358
   RMS   Intra      :  0.009  0.007  0.017  0.005  0.010  0.009  0.008  0.006  0.006  0.008      0.00904
   RMS   Sequential :  0.001  0.003  0.005  0.004  0.004  0.001  0.004  0.003  0.003  0.002      0.00333
   RMS Medium range :  0.014  0.029  0.019  0.027  0.018  0.041  0.034  0.031  0.020  0.036      0.02827
   RMS  Long range  :  0.008  0.005  0.018  0.006  0.006  0.008  0.016  0.007  0.014  0.009      0.01064


 Final --global-- Summary for 10 models, 1544 NOEs/model, 15440 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
     Summ of viol :     20.117
    Summ sq. viol :      2.847
     Maximum viol :      0.538
     Average viol :    0.00130
        RMSD viol :    0.01358
   Std. Dev. viol :    0.01352
      RMS   Intra :    0.00904 
      RMS   Seque :    0.00333 
      RMS   Medi  :    0.02827 
      RMS   Long  :    0.01064

table of dihedral angle constraints violations

   54-> [SER  A  53] PSI     60.0  180.0    0.0    3.1    0.0    0.0    0.0    0.5    0.0    0.0    0.0    0.0 -   2 [   0.0 ..    3.1] 
  115-> [SER  A  22] PSI     69.4  -35.8    0.0    0.0    0.0    0.0    0.0    5.9    0.0    0.0    0.0    0.0 -   1 [   0.0 ..    5.9] 
  130-> [LEU  A  46] PSI    -64.3  -37.8    0.5    0.4    4.9    0.9    0.0    1.0    2.3    0.0    2.6    1.6 -   8 [   0.0 ..    4.9] 
  134-> [VAL  A  51] PSI     76.6  -28.4    0.0    0.0    6.8    0.0    0.0    0.0    9.1    0.0    7.2    0.0 -   3 [   0.0 ..    9.1] 
  156-> [ASP  A  68] PSI    -52.9  -34.3    1.1    1.3    1.3    0.0    0.0    0.0    0.0    1.0    0.0    0.2 -   5 [   0.0 ..    1.3] 
  160-> [GLU  A  72] PSI    -81.3  -22.7    0.8    1.6    0.0    1.4    0.4    0.7    1.3    0.2    2.2    1.9 -   9 [   0.0 ..    2.2] 
  162-> [THR  A  73] PSI    -59.8  -46.4    2.6    0.7    0.6    1.8    2.2    2.3    1.3    1.0    1.5    0.9 -  10 [   0.6 ..    2.6] 
  164-> [VAL  A  74] PSI    -68.9  -39.5    1.7    1.1    0.0    2.0    1.8    0.7    0.5    0.9    0.6    2.3 -  10 [   0.0 ..    2.3] 
  165-> [LEU  A  75] PHI    -84.5  -49.5    1.9    2.0    0.3    1.0    1.1    1.0    0.3    1.0    0.4    1.4 -  10 [   0.3 ..    2.0] 
  169-> [LYS  A  77] PSI    -69.4  -41.5    0.3    0.0    0.0    0.0    0.4    0.0    0.1    0.0    1.3    0.0 -   4 [   0.0 ..    1.3] 
  175-> [ALA  A  80] PSI    -72.7  -34.5    1.7    2.1    0.5    1.7    1.5    1.8    1.8    1.5    2.0    0.0 -   9 [   0.0 ..    2.1] 

    ----  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        Averages  
                      ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~      ~~~~~~~~~~~ 
 1 - 10.  degrees   :      5      6      3      4      4      3      5      3      6      4          4.30
   > 10.  degrees   :      0      0      0      0      0      0      0      0      0      0          0.00
        Total       :      8      8      8      7      7      8      8      7      8      6          7.50
 Minimum Violation  :    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0    0.0          0.00
 Maximum Violation  :    2.6    3.1    6.8    2.0    2.2    5.9    9.1    1.5    7.2    2.3          9.14
     Max   PHI Viol :    1.9    2.0    0.3    1.0    1.1    1.0    0.3    1.0    0.4    1.4          1.95
     Max   PSI Viol :    2.6    3.1    6.8    2.0    2.2    5.9    9.1    1.5    7.2    2.3          9.14
 Average Violation  :    0.1    0.1    0.1    0.0    0.0    0.1    0.1    0.0    0.1    0.0         0.065
     Avge  PHI Viol :  0.132  0.135  0.051  0.095  0.102  0.094  0.051  0.096  0.060  0.112         0.097
     Avge  PSI Viol :  0.347  0.379  0.447  0.333  0.306  0.428  0.483  0.271  0.494  0.311         0.387
 RMS     Violation  :  0.319  0.362  0.635  0.276  0.258  0.509  0.731  0.191  0.633  0.280         0.457
      RMS  PHI Viol :  0.182  0.188  0.027  0.095  0.107  0.092  0.027  0.097  0.038  0.131         0.113
      RMS  PSI Viol :  0.454  0.527  1.008  0.423  0.387  0.800  1.161  0.279  1.004  0.414         0.712


 Final --global-- Summary for 10 models, 179 ACOs/model, 1790 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 
      Summ. Viol. :     116.66
  Summ. Sq. Viol. :     373.97
      Max.  Viol. :      9.135
      Avg.  Viol. :    0.06517
      RMS   Viol. :    0.45708
  Std. Dev. Viol. :    0.45241

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           0.843   0.897   0.714   0.623                                
   LYS  A   2   0.971   0.691   0.376   0.667   0.381   0.352                        
   ILE  A   3   0.666   0.983   0.995   0.985                                        
   ILE  A   4   0.999   0.949   0.945   0.581                               4        4 
   SER  A   5   0.897   0.974   0.221                                                5 
   ILE  A   6   0.963   0.701   0.974   0.446                                        
   SER  A   7   0.156   0.722   0.367                                                
   GLU  A   8   0.767   0.124   0.560   0.530   0.708                                
   THR  A   9   0.963   0.396   0.178                                                
   PRO  A  10   0.984   0.948   1.000   0.983                              10       10 
   ASN  A  11   0.928   0.436   0.234   0.513                                        
   HIS  A  12   0.416   0.122   0.306   0.244                                        
   ASN  A  13   0.130   0.974   0.651   0.545                                        
   THR  A  14   0.998   0.988   0.987                                      14       14 
   MET  A  15   0.989   0.986   0.512   0.885   0.117                      15       15 
   LYS  A  16   0.998   0.961   0.514   0.796   0.333   0.019              16       16 
   ILE  A  17   0.952   0.994   0.991   0.996                              17       17 
   THR  A  18   1.000   0.991   0.987                                      18       18 
   LEU  A  19   0.995   0.765   0.994   0.993                                        
   SER  A  20   0.807   0.980   0.359                                               20 
   GLU  A  21   0.400   0.817   0.813   0.380   0.483                                
   SER  A  22   0.891   0.566   0.399                                                
   ARG  A  23   0.295   0.275   0.522   0.573   0.415   0.364   0.747                
   GLU  A  24   0.783   0.394   0.712   0.457   0.629                                
   GLY  A  25   0.774   0.109                                                        
   MET  A  26   0.599   0.211   0.626   0.429   0.580                                
   THR  A  27   0.155   0.912   0.369                                                
   SER  A  28   1.000   0.980   0.983                                      28       28 
   ASP  A  29   0.998   0.982   0.977   0.966                              29       29 
   THR  A  30   0.966   0.976   0.238                                      30       30 
   TYR  A  31   0.983   0.992   0.992   0.979                              31       31 
   THR  A  32   0.997   0.945   0.869                                      32       32 
   LYS  A  33   0.863   0.742   0.509   0.885   0.359   0.539                        
   VAL  A  34   0.778   0.815   0.982                                                
   ASP  A  35   0.415   0.480   0.521   0.584                                        
   ASP  A  36   0.552   0.608   0.797   0.664                                        
   SER  A  37   0.134   0.825   0.458                                                
   GLN  A  38   0.970   0.979   0.718   0.562   0.102                      38       38 
   PRO  A  39   0.991   0.997   1.000   0.991                              39       39 
   ALA  A  40   1.000   0.999                                              40       40 
   PHE  A  41   1.000   0.997   0.998   0.997                              41       41 
   ILE  A  42   0.994   0.999   0.998   0.999                              42       42 
   ASN  A  43   1.000   0.999   0.998   0.976                              43       43 
   ASP  A  44   1.000   0.996   0.521   0.695                              44       44 
   ILE  A  45   0.996   0.997   0.993   0.990                              45       45 
   LEU  A  46   0.990   1.000   0.995   0.990                              46       46 
   LYS  A  47   1.000   0.999   0.949   0.784   0.899   0.624              47       47 
   VAL  A  48   1.000   0.994   0.992                                      48       48 
   GLU  A  49   0.999   0.969   0.662   0.497   0.614                      49       49 
   GLY  A  50   0.946   0.950                                              50       50 
   VAL  A  51   1.000   0.413   0.907                                                
   LYS  A  52   0.432   0.972   0.981   0.931   0.225   0.221                        
   SER  A  53   0.996   0.997   0.434                                      53       53 
   ILE  A  54   0.999   0.997   0.996   0.998                              54       54 
   PHE  A  55   0.998   0.998   0.985   0.985                              55       55 
   HIS  A  56   0.999   0.997   0.970   0.740                              56       56 
   VAL  A  57   1.000   0.987   0.990                                      57       57 
   MET  A  58   0.994   0.944   0.631   0.713   0.425                      58       58 
   ASP  A  59   0.945   0.979   0.987   0.600                              59       59 
   PHE  A  60   0.971   0.993   0.994   0.599                              60       60 
   ILE  A  61   0.993   0.997   0.991   0.906                              61       61 
   SER  A  62   0.997   0.974   0.458                                      62       62 
   VAL  A  63   0.976   0.997   0.998                                      63       63 
   ASP  A  64   0.996   0.989   0.626   0.681                              64       64 
   LYS  A  65   0.989   0.984   0.993   0.984   0.821   0.209              65       65 
   GLU  A  66   0.953   0.853   0.935   0.576   0.578                               66 
   ASN  A  67   0.967   0.982   0.327   0.338                              67       67 
   ASP  A  68   0.780   0.989   0.176   0.453                                        
   ALA  A  69   0.416   0.934                                                        
   ASN  A  70   0.972   0.915   0.616   0.402                              70       70 
   TRP  A  71   0.985   0.997   0.997   0.999                              71       71 
   GLU  A  72   0.999   1.000   0.148   0.401   0.447                      72       72 
   THR  A  73   1.000   1.000   0.701                                      73       73 
   VAL  A  74   0.997   1.000   0.999                                      74       74 
   LEU  A  75   1.000   0.999   0.920   0.459                              75       75 
   PRO  A  76   0.999   1.000   1.000   1.000                              76       76 
   LYS  A  77   1.000   0.997   0.975   0.685   0.887   0.431              77       77 
   VAL  A  78   0.995   0.995   0.995                                      78       78 
   GLU  A  79   1.000   0.998   0.749   0.871   0.621                      79       79 
   ALA  A  80   1.000   1.000                                              80       80 
   VAL  A  81   0.999   0.998   1.000                                      81       81 
   PHE  A  82   1.000   0.890   0.999   0.426                                       82 
   GLU  A  83   0.857   0.488   0.835   0.542   0.547                                
   LEU  A  84   0.236   0.630   0.673   0.540                                        
   GLU  A  85   0.510   0.726   0.448   0.189   0.399                                
   HIS  A  86   0.923   0.431   0.441   0.323                                        
   HIS  A  87   0.648   0.144   0.288   0.647                                        
   HIS  A  88   0.639   0.577   0.239   0.437                                        
   HIS  A  89   0.867   0.297   0.572   0.278                                        
   HIS  A  90   0.564   0.306   0.212   0.531                                        
   HIS  A  91   0.188           0.513   0.456

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 `ZR18_NMR_em_bcr3.pdb' 
 > 
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  1 is: 0.284
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  2 is: 0.407
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  3 is: 0.527
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  4 is: 0.369
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  5 is: 0.269
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  6 is: 0.304
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  7 is: 0.304
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  8 is: 0.334
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  9 is: 0.408
 > Kabsch RMSD of backbone atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model 10 is: 0.264 (*)
 >
 > Kabsch RMSD statistics for 10 structures: 
 > Mean RMSD using as refer. str. `average' for res.[14..18],[28..32],[38..50],[53..65],[70..81], is: 0.347 
 > Range of RMSD values to reference struct. is 0.264 to 0.527 


 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  1 is: 0.639
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  2 is: 0.772
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  3 is: 0.857
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  4 is: 0.730
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  5 is: 0.600 (*)
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  6 is: 0.760
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  7 is: 0.712
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  8 is: 0.660
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model  9 is: 0.794
 > Kabsch RMSD of heavy atoms in res. A[14..18],A[28..32],A[38..50],A[53..65],A[70..81],for model 10 is: 0.676
 >
 > Kabsch RMSD statistics for 10 structures: 
 > Mean RMSD using as refer. str. `average' for res.[14..18],[28..32],[38..50],[53..65],[70..81], is: 0.720 
 > Range of RMSD values to reference struct. is 0.600 to 0.857

Text report of backbone RMSD for entire protein

 > Kabsch RMSD of backb atoms in res. *[1..91],for model  1 is: 2.950
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  2 is: 1.407 (*)
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  3 is: 1.839
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  4 is: 2.126
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  5 is: 1.611
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  6 is: 1.757
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  7 is: 1.839
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  8 is: 3.033
 > Kabsch RMSD of backb atoms in res. *[1..91],for model  9 is: 2.464
 > Kabsch RMSD of backb atoms in res. *[1..91],for model 10 is: 2.023
 >
 > Kabsch RMSD statistics for 10 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..91], is: 2.105 
 > Range of RMSD values to reference struct. is 1.407 to 3.033

Text report of heavy atom RMSD for entire protein

 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  1 is: 3.563
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  2 is: 2.232 (*)
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  3 is: 2.562
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  4 is: 2.690
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  5 is: 2.324
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  6 is: 2.432
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  7 is: 2.588
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  8 is: 3.601
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model  9 is: 3.160
 > Kabsch RMSD of heavy atoms in res. *[1..91],for model 10 is: 2.677
 >
 > Kabsch RMSD statistics for 10 structures: 
 > Mean RMSD using as refer. str. `average' for res.[1..91], is: 2.783 
 > Range of RMSD values to reference struct. is 2.232 to 3.601

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	2.1	0.4	0.4
All heavy atoms	2.8	0.8	0.8

Contact Map (constraints list and 3D Coordinates)

JPEG image of Contact Map for Constraints

ZR18_NMR_em_bcr3.upl.jpg

JPEG image of Contact Map for Coordinates

ZR18_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  >>>----------+
 |                                                                            |
 | ZR18_NMR_em_bcr3_010.rin   0.0                                510 residues |
 |                                                                            |
*| Ramachandran plot:   87.1% core   10.6% allow    1.7% gener    0.6% disall |
 |                                                                            |
*| All Ramachandrans:   20 labelled residues (out of 510)                     |
*| Chi1-chi2 plots:     12 labelled residues (out of 320)                     |

JPEG image for all model Ramachandran Plot

Residue Properties for all models

JPEG for all model Residue Properties

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
14	-1.24
15	-0.83
16	-0.48
17	-0.47
18	-0.15
28	-1.00
29	-1.21
30	-0.32
31	-0.26
32	-1.13
38	-0.98
39	0.09
40	0.03
41	0.61
42	-0.70
43	1.37
44	0.78
45	-0.29
46	0.53
47	-0.23
48	-0.73
49	-1.27
50	-1.18
53	-1.91
54	-0.62
55	-1.11
56	-0.52
57	-3.59
58	-2.67
59	-1.56
60	-0.55
61	-0.04
62	-1.10
63	-0.33
64	-0.58
65	-2.32
66	-1.71
67	-0.76
70	-1.11
71	-0.80
72	-0.16
73	-1.15
74	0.13
75	-0.65
76	-0.71
77	-0.08
78	0.27
79	0.73
80	0.21
81	-0.72
82	-1.85
#Reported_Model_Average	-0.673
#Overall_Average_Reported	-0.673

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
14	-0.97
15	-1.00
16	-0.46
17	0.10
18	-0.14
28	-0.37
29	-1.27
30	-0.43
31	-0.41
32	-0.74
38	-1.40
39	0.09
40	0.03
41	-0.22
42	-1.37
43	0.33
44	-0.16
45	-0.03
46	0.46
47	0.02
48	-0.51
49	-0.64
50	-1.18
53	-1.17
54	0.07
55	-0.75
56	-1.25
57	-2.31
58	-1.98
59	-1.41
60	-0.70
61	-0.10
62	-0.82
63	-0.22
64	-1.25
65	-1.66
66	-1.02
67	-1.20
70	-0.91
71	-0.62
72	-0.41
73	-1.02
74	-0.48
75	-1.71
76	-0.71
77	-0.26
78	0.37
79	0.47
80	0.21
81	-0.61
82	-2.09
#Reported_Model_Average	-0.663
#Overall_Average_Reported	-0.663

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
14	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79
15	0.51	0.51	0.49	0.51	0.51	0.51	0.51	0.49	0.51	0.51
16	0.55	0.55	0.35	0.55	0.55	0.55	0.35	0.55	0.35	0.55
17	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
18	0.79	0.95	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79
28	0.34	0.34	0.17	0.34	0.17	0.17	0.34	0.17	0.34	0.17
29	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03
30	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79
31	1.30	1.30	1.30	1.09	1.30	1.09	1.30	1.30	1.09	1.09
32	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
38	-0.87	-0.87	-0.84	-0.84	-0.84	-0.87	-0.84	-0.87	-0.84	-0.87
39	0.64	0.44	0.44	0.64	0.44	0.64	0.44	0.64	0.44	0.44
40	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
41	-1.35	-0.85	-1.35	-0.85	-0.85	-0.85	-1.35	-1.35	-1.35	-1.35
42	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
43	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58
44	0.44	0.29	-0.28	0.29	0.29	0.44	0.29	0.29	0.44	0.29
45	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
46	0.71	0.71	0.71	0.71	0.71	0.71	1.30	0.71	0.71	0.71
47	0.07	0.66	0.07	0.66	0.07	0.66	0.07	0.66	0.66	0.07
48	-0.09	-0.09	0.66	-0.09	-0.40	0.66	0.66	-0.40	-0.09	-0.09
49	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
50	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
53	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
54	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
55	0.37	-0.56	0.37	-0.56	-0.56	-0.56	-0.56	-0.61	0.37	-0.61
56	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05
57	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
58	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83
59	0.34	0.34	0.34	0.51	0.34	0.34	0.51	0.34	0.51	0.34
60	0.37	1.32	0.37	1.32	0.37	0.37	0.37	1.32	0.37	0.37
61	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50
62	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
63	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
64	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03
65	0.35	-0.83	0.35	-0.83	-0.83	-0.83	0.35	-0.83	0.35	-0.83
66	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
67	0.41	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.51	0.41
70	0.51	0.41	0.51	0.51	0.51	0.51	0.41	0.51	0.51	0.51
71	1.62	1.62	1.62	1.62	0.96	1.62	1.62	1.62	0.96	1.62
72	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
73	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
74	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
75	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30
76	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
77	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
78	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
79	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
80	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
81	0.74	0.74	0.41	0.74	0.74	0.74	0.74	0.74	0.41	0.74
82	1.04	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.04
#Reported_Model_Average	0.454	0.433	0.433	0.448	0.403	0.448	0.460	0.436	0.447	0.397
#Overall_Average_Reported	0.436

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
14	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79
15	0.51	0.51	0.49	0.51	0.51	0.51	0.51	0.49	0.51	0.51
16	0.55	0.55	0.35	0.55	0.55	0.55	0.35	0.55	0.35	0.55
17	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
18	0.79	0.95	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79
28	0.34	0.34	0.17	0.34	0.17	0.17	0.34	0.17	0.34	0.17
29	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03
30	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79	0.79
31	1.30	1.30	1.30	1.09	1.30	1.09	1.30	1.30	1.09	1.09
32	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
38	-0.87	-0.87	-0.84	-0.84	-0.84	-0.87	-0.84	-0.87	-0.84	-0.87
39	0.64	0.44	0.44	0.64	0.44	0.64	0.44	0.64	0.44	0.44
40	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
41	-1.35	-0.85	-1.35	-0.85	-0.85	-0.85	-1.35	-1.35	-1.35	-1.35
42	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
43	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58	-0.58
44	0.44	0.29	-0.28	0.29	0.29	0.44	0.29	0.29	0.44	0.29
45	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11	1.11
46	0.71	0.71	0.71	0.71	0.71	0.71	1.30	0.71	0.71	0.71
47	0.07	0.66	0.07	0.66	0.07	0.66	0.07	0.66	0.66	0.07
48	-0.09	-0.09	0.66	-0.09	-0.40	0.66	0.66	-0.40	-0.09	-0.09
49	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
50	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10	1.10
53	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
54	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50	1.50
55	0.37	-0.56	0.37	-0.56	-0.56	-0.56	-0.56	-0.61	0.37	-0.61
56	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05	-0.05
57	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
58	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83	-0.83
59	0.34	0.34	0.34	0.51	0.34	0.34	0.51	0.34	0.51	0.34
60	0.37	1.32	0.37	1.32	0.37	0.37	0.37	1.32	0.37	0.37
61	1.50	1.50	1.50	1.07	1.50	1.50	1.50	1.50	1.50	1.50
62	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49	0.49
63	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18	1.18
64	-0.03	-0.03	-0.61	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03	-0.03
65	0.35	-0.83	0.35	-0.83	-0.83	-0.83	0.35	-0.83	0.35	-0.83
66	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28	0.28
67	0.41	0.41	0.41	0.41	0.51	0.41	0.41	0.41	0.51	0.41
70	0.51	0.41	0.51	0.51	0.51	0.51	0.41	0.51	0.51	0.51
71	1.62	1.62	1.62	1.62	0.96	1.62	1.62	1.62	0.96	1.62
72	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04	0.04
73	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08	0.08
74	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
75	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30	-0.30
76	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25	-0.25
77	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66	0.66
78	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74	0.74
79	0.62	-0.43	0.62	0.62	0.62	0.62	0.62	0.62	0.62	0.62
80	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44	0.44
81	0.74	0.74	0.41	0.74	0.74	0.74	0.74	0.74	0.41	0.74
82	1.04	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.40	1.04
#Reported_Model_Average	0.454	0.433	0.433	0.448	0.403	0.448	0.460	0.436	0.447	0.397
#Overall_Average_Reported	0.436

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
14.000	2	3	5	2	2	0	3	4	4	4
15.000	0	2	0	1	2	0	0	0	1	1
16.000	0	0	0	0	2	1	1	0	0	1
17.000	0	0	0	0	0	1	0	0	0	0
18.000	0	0	0	0	0	0	0	0	0	3
28.000	0	0	0	2	0	1	0	1	2	0
29.000	1	0	0	0	0	0	0	0	0	0
30.000	0	0	0	0	0	0	0	0	0	0
31.000	0	0	3	2	0	0	3	0	0	2
32.000	0	2	0	0	0	0	0	0	0	0
38.000	1	1	3	2	4	1	3	3	2	4
39.000	1	0	0	2	0	1	0	2	0	0
40.000	0	0	0	1	0	0	0	0	0	0
41.000	2	2	2	2	2	2	2	2	2	2
42.000	1	2	2	2	1	1	3	3	2	1
43.000	2	2	0	2	2	4	5	4	0	1
44.000	2	2	1	2	2	2	1	2	0	4
45.000	3	6	5	4	4	4	7	6	6	4
46.000	0	0	3	0	0	0	2	0	0	2
47.000	0	0	0	0	0	0	0	0	0	0
48.000	2	2	1	2	2	2	1	2	0	2
49.000	2	0	0	0	2	2	0	0	0	0
50.000	0	0	0	0	0	0	0	0	0	0
53.000	0	0	1	1	0	0	1	0	2	1
54.000	0	2	0	2	0	1	0	1	1	1
55.000	1	0	0	1	0	2	0	1	0	1
56.000	2	0	0	0	0	0	0	1	0	0
57.000	2	5	3	3	2	2	1	6	1	6
58.000	0	4	0	3	1	2	1	5	1	5
59.000	0	0	0	1	0	1	1	1	1	0
60.000	1	3	3	1	3	0	2	3	3	0
61.000	1	0	0	3	0	0	0	0	0	0
62.000	0	0	0	0	0	0	0	0	0	0
63.000	0	0	1	0	0	0	0	0	0	0
64.000	2	0	3	0	0	0	4	0	5	0
65.000	0	1	1	1	0	1	0	5	1	0
66.000	0	0	2	0	1	0	1	1	0	0
67.000	0	2	1	0	0	2	1	1	0	0
70.000	0	1	0	0	0	3	0	0	0	0
71.000	0	2	0	2	2	0	0	1	1	1
72.000	2	0	0	1	0	1	1	2	0	0
73.000	1	1	0	2	2	2	0	0	0	1
74.000	1	0	0	2	2	2	0	0	0	0
75.000	2	1	2	2	2	2	2	4	2	2
76.000	2	1	2	3	2	3	3	4	2	2
77.000	0	1	0	1	1	2	0	1	0	0
78.000	0	0	0	1	0	0	1	0	1	1
79.000	0	0	0	0	0	0	1	0	0	0
80.000	0	1	0	1	1	0	0	1	0	2
81.000	4	3	7	6	5	5	6	5	6	6
82.000	0	0	0	2	0	0	0	0	2	0
#Reported_Model_Average	0.784	1.020	1.000	1.275	0.961	1.039	1.118	1.412	0.941	1.176
#Overall_Average_Reported	1.073

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -1.078:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.697:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.558:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.519:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.409:        0

:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.792:        0
:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.445:        0

:  1436:A  35 ASP  H   :A  34 VAL 2HG1 :   -0.762:        0
:  1436:A  35 ASP  N   :A  34 VAL 2HG1 :   -0.664:        0
:  1436:A  35 ASP  H   :A  34 VAL  CG1 :   -0.509:        0
:  1436:A  35 ASP  N   :A  34 VAL  CG1 :   -0.483:        0

:  1436:A   6 ILE 2HG2 :A   7 SER  H   :   -0.677:        0
:  1436:A   7 SER  N   :A   6 ILE 2HG2 :   -0.568:        0

:  1436:A  72 GLU  CD  :A  72 GLU  H   :   -0.627:        0

:  1436:A  61 ILE 1HD1 :A  56 HIS  CE1 :   -0.575:        0
:  1436:A  29 ASP  H   :A  56 HIS 2HB  :   -0.433:        0

:  1436:A  43 ASN  N   :A  43 ASN 2HD2 :   -0.569:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.539:        0
:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.424:        0

:  1436:A  84 LEU  O   :A  85 GLU  CB  :   -0.504:        0
:  1436:A  84 LEU  C   :A  84 LEU 2HD1 :   -0.494:        0
:  1436:A  84 LEU  C   :A  84 LEU  CD1 :   -0.438:        0

:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.498:        0
:  1436:A  57 VAL  HB  :A  55 PHE  CZ  :   -0.419:        0

:  1436:A  73 THR 3HG2 :A  74 VAL  N   :   -0.483:        0

:  1436:A  11 ASN  O   :A   9 THR 3HG2 :   -0.463:        0

:  1436:A  39 PRO  CD  :A  38 GLN  CB  :   -0.453:        0

:  1436:A  24 GLU  C   :A  23 ARG  O   :   -0.442:        0

:  1436:A   8 GLU  CD  :A   8 GLU  N   :   -0.411:        0

:  1436:A  64 ASP  OD1 :A  64 ASP  N   :   -0.404:        0

:  1436:A  14 THR  O   :A  14 THR 3HG2 :   -0.403:        0

:  1436:A  49 GLU 2HG  :A  49 GLU  H   :   -0.401:        0
#sum2 ::22.28 clashscore : 22.28 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161611 potential dots:10100.0 A^2:32 bumps:32 bumps B<40:280.9 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -0.938:        0
:  1436:A  54 ILE 1HD1 :A  45 ILE 1HG2 :   -0.618:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.596:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.541:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.528:        0
:  1436:A  45 ILE  CG2 :A  54 ILE 1HD1 :   -0.524:        0
:  1436:A  42 ILE 3HD1 :A  45 ILE  CD1 :   -0.426:        0
:  1436:A  41 PHE  CD1 :A  84 LEU 1HD2 :   -0.425:        0

:  1436:A   6 ILE 2HG2 :A   7 SER  H   :   -0.784:        0
:  1436:A   7 SER  N   :A   6 ILE 2HG2 :   -0.661:        0
:  1436:A   7 SER  H   :A   6 ILE  CG2 :   -0.553:        0
:  1436:A  15 MET  SD  :A   7 SER  O   :   -0.490:        0
:  1436:A  15 MET 2HG  :A  71 TRP  CZ2 :   -0.451:        0
:  1436:A   6 ILE  CG2 :A   7 SER  N   :   -0.426:        0
:  1436:A  71 TRP  C   :A  73 THR  N   :   -0.425:        0

:  1436:A   9 THR  H   :A  10 PRO  CD  :   -0.681:        0
:  1436:A   9 THR  N   :A  10 PRO  CD  :   -0.627:        0
:  1436:A  10 PRO 2HD  :A   9 THR  H   :   -0.503:        0

:  1436:A  35 ASP  H   :A  38 GLN  NE2 :   -0.644:        0

:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.624:        0
:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.551:        0

:  1436:A  57 VAL 2HG2 :A  58 MET  N   :   -0.621:        0
:  1436:A  57 VAL 2HG2 :A  58 MET  H   :   -0.514:        0
:  1436:A  58 MET  N   :A  57 VAL  CG2 :   -0.458:        0
:  1436:A  60 PHE  CD1 :A  60 PHE  C   :   -0.428:        0
:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.420:        0
:  1436:A  57 VAL  CG2 :A  58 MET  H   :   -0.405:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.583:        0

:  1436:A  33 LYS  CG  :A  33 LYS  O   :   -0.534:        0
:  1436:A  33 LYS 2HG  :A  33 LYS  O   :   -0.521:        0
:  1436:A  34 VAL  C   :A  33 LYS  O   :   -0.492:        0
:  1436:A  33 LYS  C   :A  33 LYS  CD  :   -0.474:        0
:  1436:A  32 THR  O   :A  33 LYS  CB  :   -0.469:        0
:  1436:A  33 LYS  O   :A  34 VAL  O   :   -0.435:        0
:  1436:A  33 LYS  CD  :A  33 LYS  O   :   -0.415:        0
:  1436:A  32 THR  O   :A  33 LYS  CG  :   -0.407:        0

:  1436:A  80 ALA 3HB  :A  77 LYS  O   :   -0.523:        0

:  1436:A  12 HIS  C   :A  14 THR  H   :   -0.500:        0
:  1436:A  14 THR  O   :A  14 THR 3HG2 :   -0.407:        0

:  1436:A  70 ASN  C   :A  65 LYS 2HZ  :   -0.490:        0

:  1436:A  67 ASN  N   :A  67 ASN  OD1 :   -0.485:        0

:  1436:A  90 HIS  N   :A  89 HIS  CG  :   -0.466:        0
:  1436:A  89 HIS  O   :A  90 HIS  ND1 :   -0.433:        0

:  1436:A  19 LEU  C   :A  21 GLU  H   :   -0.448:        0

:  1436:A  43 ASN  N   :A  43 ASN 2HD2 :   -0.422:        0

:  1436:A  24 GLU  C   :A  23 ARG  O   :   -0.418:        0
#sum2 ::32.03 clashscore : 32.03 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161886 potential dots:10120.0 A^2:46 bumps:46 bumps B<40:240.4 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -1.006:        0
:  1436:A  48 VAL  O   :A  51 VAL 2HG2 :   -0.947:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.866:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.829:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.809:        0
:  1436:A  53 SER  N   :A  51 VAL  O   :   -0.757:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.754:        0
:  1436:A  64 ASP  O   :A  51 VAL  O   :   -0.682:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.665:        0
:  1436:A  51 VAL 1HG2 :A  46 LEU  O   :   -0.624:        0
:  1436:A  31 TYR  CZ  :A  38 GLN 2HB  :   -0.551:        0
:  1436:A  38 GLN  NE2 :A  31 TYR  CG  :   -0.521:        0
:  1436:A  64 ASP  HA  :A  14 THR  HB  :   -0.520:        0
:  1436:A  64 ASP  HA  :A  14 THR  CB  :   -0.519:        0
:  1436:A  46 LEU 1HD1 :A  31 TYR 2HB  :   -0.478:        0
:  1436:A  51 VAL 1HG2 :A  46 LEU  C   :   -0.459:        0
:  1436:A  44 ASP  OD2 :A  81 VAL 2HG2 :   -0.421:        0
:  1436:A  14 THR  O   :A  14 THR 3HG2 :   -0.416:        0
:  1436:A  42 ILE 1HG2 :A  38 GLN 2HE2 :   -0.413:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HG1 :   -0.411:        0
:  1436:A  14 THR  HA  :A  63 VAL  O   :   -0.409:        0

:  1436:A  66 GLU 1HB  :A  69 ALA 2HB  :   -0.724:        0
:  1436:A  69 ALA 3HB  :A  65 LYS 1HD  :   -0.602:        0
:  1436:A  67 ASN  C   :A  66 GLU  O   :   -0.429:        0

:  1436:A  84 LEU  H   :A  84 LEU 2HD1 :   -0.653:        0
:  1436:A  84 LEU  H   :A  84 LEU  CD1 :   -0.526:        0

:  1436:A  35 ASP  N   :A  34 VAL 2HG1 :   -0.613:        0
:  1436:A  35 ASP  N   :A  34 VAL  CG1 :   -0.501:        0
:  1436:A  34 VAL  HB  :A  33 LYS  O   :   -0.490:        0
:  1436:A  35 ASP  H   :A  34 VAL  CG1 :   -0.402:        0

:  1436:A   9 THR  N   :A  10 PRO 2HD  :   -0.557:        0

:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.548:        0
:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.442:        0

:  1436:A   3 ILE  C   :A   4 ILE 2HD1 :   -0.542:        0
:  1436:A   4 ILE 2HD1 :A   4 ILE  N   :   -0.508:        0

:  1436:A  57 VAL 3HG1 :A  60 PHE  CZ  :   -0.496:        0
:  1436:A  60 PHE  CE2 :A  57 VAL 3HG1 :   -0.450:        0
:  1436:A  57 VAL  CG1 :A  60 PHE  CE2 :   -0.446:        0
#sum2 ::26.46 clashscore : 26.46 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161927 potential dots:10120.0 A^2:38 bumps:38 bumps B<40:252.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -0.951:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.723:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.582:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.582:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.508:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.480:        0
:  1436:A  39 PRO  O   :A  42 ILE  N   :   -0.462:        0
:  1436:A  39 PRO  O   :A  40 ALA  C   :   -0.455:        0
:  1436:A  78 VAL  O   :A  81 VAL 3HG2 :   -0.413:        0

:  1436:A   9 THR 3HG2 :A   9 THR  O   :   -0.825:        0
:  1436:A   9 THR  O   :A   9 THR  CG2 :   -0.605:        0
:  1436:A  11 ASN  H   :A   9 THR  C   :   -0.530:        0
:  1436:A   9 THR  H   :A   8 GLU  H   :   -0.404:        0

:  1436:A   4 ILE 2HD1 :A   4 ILE  N   :   -0.726:        0
:  1436:A   3 ILE  C   :A   4 ILE 2HD1 :   -0.700:        0
:  1436:A   4 ILE  CD1 :A   4 ILE  N   :   -0.576:        0
:  1436:A   4 ILE  CD1 :A   2 LYS  O   :   -0.435:        0

:  1436:A  27 THR 2HG2 :A  28 SER  H   :   -0.637:        0
:  1436:A  27 THR  CG2 :A  28 SER  H   :   -0.500:        0
:  1436:A  27 THR  HG1 :A  26 MET  C   :   -0.431:        0

:  1436:A  19 LEU 1HD1 :A  61 ILE 1HD1 :   -0.590:        0
:  1436:A  61 ILE 2HD1 :A  61 ILE  N   :   -0.452:        0

:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.560:        0
:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.497:        0

:  1436:A  43 ASN  N   :A  43 ASN 2HD2 :   -0.538:        0

:  1436:A  73 THR 3HG2 :A  74 VAL  N   :   -0.525:        0
:  1436:A  73 THR  CG2 :A  74 VAL  N   :   -0.473:        0

:  1436:A  80 ALA 3HB  :A  77 LYS  O   :   -0.504:        0

:  1436:A  85 GLU  C   :A  84 LEU  O   :   -0.490:        0
:  1436:A  84 LEU  C   :A  84 LEU 2HD1 :   -0.487:        0
:  1436:A  84 LEU  C   :A  84 LEU  CD1 :   -0.428:        0

:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.481:        0
:  1436:A  72 GLU  O   :A  76 PRO  CD  :   -0.465:        0
:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.451:        0

:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.472:        0
:  1436:A  57 VAL  O   :A  58 MET  C   :   -0.443:        0
:  1436:A  58 MET  CG  :A  59 ASP  H   :   -0.437:        0
:  1436:A  57 VAL 2HG2 :A  58 MET  N   :   -0.428:        0

:  1436:A  34 VAL  C   :A  33 LYS  O   :   -0.470:        0
:  1436:A  33 LYS  O   :A  34 VAL  O   :   -0.421:        0

:  1436:A  54 ILE  N   :A  53 SER  OG  :   -0.469:        0
:  1436:A  55 PHE  N   :A  54 ILE  CG2 :   -0.421:        0

:  1436:A  82 PHE  CD1 :A  82 PHE  N   :   -0.452:        0

:  1436:A  14 THR  O   :A  14 THR  CG2 :   -0.446:        0

:  1436:A  31 TYR  CG  :A  38 GLN  CD  :   -0.428:        0
:  1436:A  38 GLN  OE1 :A  31 TYR  CD1 :   -0.401:        0

:  1436:A  15 MET 1HG  :A  71 TRP  CH2 :   -0.426:        0
:  1436:A  71 TRP  CD1 :A  65 LYS  NZ  :   -0.403:        0
#sum2 ::33.43 clashscore : 33.43 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161704 potential dots:10110.0 A^2:48 bumps:48 bumps B<40:227.1 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -0.994:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.656:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.515:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.498:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.469:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.424:        0

:  1436:A   9 THR  H   :A  10 PRO  CD  :   -0.781:        0
:  1436:A   9 THR  N   :A  10 PRO  CD  :   -0.600:        0
:  1436:A   9 THR  H   :A  10 PRO 2HD  :   -0.500:        0
:  1436:A   9 THR  H   :A  10 PRO 1HD  :   -0.473:        0
:  1436:A  11 ASN  H   :A   9 THR  C   :   -0.427:        0

:  1436:A   6 ILE 2HD1 :A   6 ILE  N   :   -0.717:        0
:  1436:A   6 ILE  CD1 :A   6 ILE  N   :   -0.545:        0

:  1436:A  15 MET  SD  :A  71 TRP  CE2 :   -0.652:        0
:  1436:A  71 TRP  CD2 :A  15 MET  SD  :   -0.624:        0

:  1436:A  35 ASP  N   :A  34 VAL 2HG1 :   -0.623:        0
:  1436:A  35 ASP  N   :A  34 VAL  CG1 :   -0.492:        0
:  1436:A  34 VAL 2HG1 :A  35 ASP  H   :   -0.400:        0

:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.585:        0
:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.470:        0

:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.557:        0
:  1436:A  60 PHE  CD1 :A  60 PHE  C   :   -0.501:        0
:  1436:A  57 VAL  O   :A  58 MET  C   :   -0.418:        0

:  1436:A  85 GLU  H   :A  84 LEU 3HD1 :   -0.526:        0
:  1436:A  84 LEU  CD1 :A  85 GLU  H   :   -0.513:        0
:  1436:A  85 GLU  N   :A  84 LEU  CD1 :   -0.471:        0

:  1436:A  73 THR  CG2 :A  74 VAL  N   :   -0.523:        0
:  1436:A  73 THR 3HG2 :A  74 VAL  N   :   -0.459:        0

:  1436:A   7 SER  CB  :A  16 LYS  H   :   -0.511:        0
:  1436:A  16 LYS  O   :A   7 SER  N   :   -0.439:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.500:        0
:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.491:        0

:  1436:A  38 GLN  CG  :A  43 ASN 1HD2 :   -0.487:        0
:  1436:A  38 GLN  CG  :A  43 ASN  ND2 :   -0.465:        0
:  1436:A  38 GLN  N   :A  36 ASP  C   :   -0.446:        0
:  1436:A  36 ASP  C   :A  38 GLN  H   :   -0.417:        0

:  1436:A  87 HIS  ND1 :A  87 HIS  C   :   -0.447:        0

:  1436:A  14 THR  O   :A  14 THR 3HG2 :   -0.445:        0

:  1436:A  23 ARG  O   :A  24 GLU  C   :   -0.438:        0
:  1436:A  22 SER  O   :A  23 ARG  C   :   -0.426:        0
:  1436:A  23 ARG  O   :A  25 GLY  N   :   -0.415:        0

:  1436:A  49 GLU  CD  :A  49 GLU  H   :   -0.433:        0

:  1436:A  66 GLU  C   :A  68 ASP  N   :   -0.411:        0

:  1436:A  80 ALA 3HB  :A  77 LYS  O   :   -0.409:        0

:  1436:A  19 LEU  C   :A  21 GLU  H   :   -0.404:        0
#sum2 ::31.34 clashscore : 31.34 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161798 potential dots:10110.0 A^2:45 bumps:45 bumps B<40:201.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -0.968:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.680:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.629:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.595:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.535:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.489:        0

:  1436:A   6 ILE 2HG2 :A   7 SER  H   :   -0.797:        0
:  1436:A   7 SER  N   :A   6 ILE 2HG2 :   -0.690:        0
:  1436:A   7 SER  H   :A   6 ILE  CG2 :   -0.526:        0
:  1436:A   7 SER  N   :A   6 ILE  CG2 :   -0.496:        0

:  1436:A   3 ILE  C   :A   4 ILE 2HD1 :   -0.649:        0
:  1436:A   4 ILE 2HD1 :A   4 ILE  N   :   -0.546:        0
:  1436:A   4 ILE  CD1 :A   4 ILE  N   :   -0.470:        0

:  1436:A  35 ASP  N   :A  34 VAL 2HG1 :   -0.647:        0
:  1436:A  35 ASP  N   :A  34 VAL  CG1 :   -0.534:        0
:  1436:A  34 VAL  CG1 :A  35 ASP  H   :   -0.478:        0
:  1436:A  34 VAL 2HG1 :A  35 ASP  H   :   -0.405:        0

:  1436:A  23 ARG  CB  :A  22 SER  O   :   -0.616:        0
:  1436:A  24 GLU  CB  :A  23 ARG  O   :   -0.518:        0
:  1436:A  23 ARG 1HG  :A  24 GLU  N   :   -0.417:        0

:  1436:A   9 THR 3HG2 :A   9 THR  O   :   -0.615:        0
:  1436:A  11 ASN  H   :A   9 THR  C   :   -0.477:        0
:  1436:A   9 THR  N   :A  10 PRO  CD  :   -0.468:        0
:  1436:A  11 ASN  OD1 :A  11 ASN  N   :   -0.456:        0
:  1436:A  12 HIS  N   :A  12 HIS  CD2 :   -0.449:        0
:  1436:A  12 HIS  CB  :A  11 ASN  O   :   -0.432:        0
:  1436:A   9 THR  O   :A   9 THR  CG2 :   -0.408:        0

:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.611:        0
:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.411:        0

:  1436:A  19 LEU  C   :A  21 GLU  H   :   -0.581:        0
:  1436:A  19 LEU  C   :A  21 GLU  N   :   -0.412:        0

:  1436:A  70 ASN  C   :A  65 LYS 1HZ  :   -0.541:        0
:  1436:A  70 ASN  OD1 :A  70 ASN  N   :   -0.425:        0

:  1436:A  49 GLU  CD  :A  49 GLU  H   :   -0.518:        0

:  1436:A  43 ASN  N   :A  43 ASN 2HD2 :   -0.512:        0
:  1436:A  43 ASN  N   :A  43 ASN  ND2 :   -0.403:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.508:        0
:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.461:        0
:  1436:A  72 GLU  O   :A  76 PRO  CD  :   -0.409:        0

:  1436:A  73 THR  CG2 :A  74 VAL  N   :   -0.502:        0
:  1436:A  73 THR 3HG2 :A  74 VAL  N   :   -0.460:        0

:  1436:A  27 THR 3HG2 :A  28 SER  N   :   -0.497:        0

:  1436:A  39 PRO  CD  :A  38 GLN  CB  :   -0.480:        0

:  1436:A  57 VAL 2HG2 :A  58 MET  N   :   -0.435:        0
:  1436:A  57 VAL  HB  :A  55 PHE  CZ  :   -0.414:        0
:  1436:A  58 MET  CG  :A  59 ASP  H   :   -0.411:        0
:  1436:A  55 PHE  N   :A  54 ILE 2HG2 :   -0.404:        0

:  1436:A  77 LYS  CD  :A  77 LYS  N   :   -0.433:        0

:  1436:A  67 ASN  ND2 :A  67 ASN  H   :   -0.423:        0

:  1436:A  17 ILE  H   :A  16 LYS 1HG  :   -0.415:        0

:  1436:A  37 SER  CB  :A  36 ASP  O   :   -0.400:        0
#sum2 ::35.52 clashscore : 35.52 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:162128 potential dots:10130.0 A^2:51 bumps:51 bumps B<40:245.8 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -1.002:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.830:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.696:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.686:        0
:  1436:A  53 SER  N   :A  51 VAL  O   :   -0.666:        0
:  1436:A  64 ASP  O   :A  51 VAL  O   :   -0.633:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.601:        0
:  1436:A  45 ILE  O   :A  51 VAL 1HG2 :   -0.567:        0
:  1436:A  45 ILE 2HD1 :A  42 ILE  CD1 :   -0.556:        0
:  1436:A  43 ASN  N   :A  43 ASN 2HD2 :   -0.546:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.537:        0
:  1436:A  64 ASP  HA  :A  14 THR  HB  :   -0.514:        0
:  1436:A  51 VAL 1HG1 :A  46 LEU  HA  :   -0.483:        0
:  1436:A  64 ASP  CG  :A  14 THR  HB  :   -0.457:        0
:  1436:A  64 ASP  HA  :A  14 THR  CB  :   -0.447:        0
:  1436:A  46 LEU 1HD1 :A  31 TYR 2HB  :   -0.444:        0
:  1436:A  38 GLN 1HG  :A  43 ASN 1HD2 :   -0.435:        0
:  1436:A  38 GLN  NE2 :A  31 TYR  CD1 :   -0.423:        0
:  1436:A  43 ASN  N   :A  43 ASN  ND2 :   -0.420:        0
:  1436:A  42 ILE 3HD1 :A  45 ILE  CD1 :   -0.416:        0
:  1436:A  31 TYR  CZ  :A  38 GLN 2HB  :   -0.409:        0
:  1436:A  51 VAL  O   :A  51 VAL  CG1 :   -0.404:        0
:  1436:A  81 VAL 3HG2 :A  78 VAL  O   :   -0.402:        0

:  1436:A  35 ASP  H   :A  34 VAL 2HG1 :   -0.763:        0
:  1436:A  35 ASP  N   :A  34 VAL 2HG1 :   -0.678:        0
:  1436:A  35 ASP  H   :A  34 VAL  CG1 :   -0.539:        0
:  1436:A  35 ASP  N   :A  34 VAL  CG1 :   -0.485:        0

:  1436:A  11 ASN  H   :A   9 THR  C   :   -0.519:        0

:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.516:        0

:  1436:A   7 SER  N   :A   6 ILE  CG2 :   -0.503:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.503:        0
:  1436:A  75 LEU  CB  :A  76 PRO  CD  :   -0.429:        0
:  1436:A  72 GLU  O   :A  76 PRO  CD  :   -0.428:        0

:  1436:A   1 MET  N   :A  20 SER  H   :   -0.489:        0

:  1436:A  85 GLU  H   :A  83 GLU  C   :   -0.482:        0
:  1436:A  85 GLU  C   :A  84 LEU  O   :   -0.435:        0
:  1436:A  84 LEU  C   :A  85 GLU  CG  :   -0.423:        0
:  1436:A  79 GLU  O   :A  83 GLU  CB  :   -0.415:        0

:  1436:A  67 ASN  C   :A  66 GLU  O   :   -0.481:        0

:  1436:A  23 ARG  O   :A  25 GLY  N   :   -0.459:        0
:  1436:A  23 ARG  O   :A  24 GLU  C   :   -0.411:        0

:  1436:A  16 LYS 2HZ  :A  60 PHE  CB  :   -0.426:        0
:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.413:        0

:  1436:A  36 ASP  O   :A  37 SER  CB  :   -0.424:        0

:  1436:A  58 MET  CG  :A  59 ASP  H   :   -0.412:        0

:  1436:A  69 ALA  N   :A  68 ASP  CG  :   -0.401:        0
#sum2 ::32.03 clashscore : 32.03 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161715 potential dots:10110.0 A^2:46 bumps:46 bumps B<40:288.6 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -0.904:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.562:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.552:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.543:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.518:        0
:  1436:A  45 ILE 2HD1 :A  42 ILE  CD1 :   -0.512:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.458:        0
:  1436:A  42 ILE 3HD1 :A  45 ILE  CD1 :   -0.409:        0

:  1436:A   6 ILE 2HG2 :A   7 SER  H   :   -0.783:        0
:  1436:A   7 SER  N   :A   6 ILE 2HG2 :   -0.654:        0
:  1436:A   7 SER  H   :A   6 ILE  CG2 :   -0.500:        0

:  1436:A  34 VAL 3HG2 :A  33 LYS  O   :   -0.688:        0
:  1436:A  38 GLN 2HE2 :A  43 ASN  ND2 :   -0.557:        0
:  1436:A  34 VAL  CG2 :A  33 LYS  O   :   -0.529:        0
:  1436:A  39 PRO  CD  :A  38 GLN 1HB  :   -0.480:        0
:  1436:A  39 PRO  CD  :A  38 GLN  CB  :   -0.470:        0
:  1436:A  34 VAL 3HG2 :A  33 LYS  C   :   -0.466:        0
:  1436:A  43 ASN  N   :A  43 ASN 2HD2 :   -0.466:        0
:  1436:A  34 VAL 3HG1 :A  43 ASN  CG  :   -0.401:        0
:  1436:A  34 VAL  N   :A  33 LYS 1HG  :   -0.400:        0

:  1436:A  27 THR 2HG2 :A  28 SER  H   :   -0.669:        0
:  1436:A  25 GLY  C   :A  27 THR  H   :   -0.518:        0
:  1436:A  25 GLY  C   :A  27 THR  N   :   -0.496:        0
:  1436:A  27 THR  N   :A  25 GLY  O   :   -0.457:        0

:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.584:        0
:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.538:        0

:  1436:A  72 GLU  CD  :A  72 GLU  H   :   -0.571:        0

:  1436:A  58 MET  CG  :A  59 ASP  H   :   -0.570:        0
:  1436:A  57 VAL 2HG2 :A  58 MET  N   :   -0.548:        0
:  1436:A  60 PHE  CD1 :A  60 PHE  C   :   -0.526:        0
:  1436:A  58 MET 1HG  :A  57 VAL  C   :   -0.460:        0
:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.443:        0
:  1436:A  57 VAL  O   :A  58 MET  C   :   -0.432:        0
:  1436:A  57 VAL  N   :A  56 HIS  CD2 :   -0.424:        0
:  1436:A  58 MET  N   :A  57 VAL  CG2 :   -0.420:        0

:  1436:A  65 LYS 3HZ  :A  13 ASN  CA  :   -0.557:        0
:  1436:A  65 LYS 3HZ  :A  13 ASN  C   :   -0.522:        0
:  1436:A  71 TRP  HE1 :A  65 LYS  NZ  :   -0.500:        0
:  1436:A  65 LYS  NZ  :A  13 ASN  CA  :   -0.483:        0
:  1436:A  65 LYS  O   :A  52 LYS  NZ  :   -0.457:        0
:  1436:A  66 GLU  O   :A  13 ASN  ND2 :   -0.429:        0

:  1436:A  85 GLU  H   :A  83 GLU  C   :   -0.552:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.540:        0
:  1436:A  76 PRO  CD  :A  75 LEU 2HB  :   -0.511:        0
:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.433:        0
:  1436:A  75 LEU 3HD2 :A  76 PRO  N   :   -0.430:        0

:  1436:A  12 HIS  O   :A  12 HIS  CG  :   -0.534:        0

:  1436:A  24 GLU  C   :A  23 ARG  O   :   -0.467:        0

:  1436:A   9 THR  CB  :A  10 PRO  CD  :   -0.457:        0

:  1436:A  86 HIS  ND1 :A  86 HIS  C   :   -0.455:        0

:  1436:A  87 HIS  O   :A  87 HIS  CG  :   -0.443:        0

:  1436:A  80 ALA 3HB  :A  77 LYS  O   :   -0.430:        0

:  1436:A  19 LEU  C   :A  21 GLU  H   :   -0.424:        0

:  1436:A  14 THR  O   :A  14 THR  CG2 :   -0.423:        0
:  1436:A  14 THR  O   :A  14 THR 3HG2 :   -0.403:        0

:  1436:A  67 ASN  OD1 :A  68 ASP  N   :   -0.421:        0

:  1436:A   5 SER  HG  :A   4 ILE  C   :   -0.417:        0

:  1436:A  35 ASP  C   :A  37 SER  H   :   -0.410:        0

:  1436:A  55 PHE  N   :A  54 ILE  CG2 :   -0.407:        0
#sum2 ::41.09 clashscore : 41.09 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161853 potential dots:10120.0 A^2:59 bumps:59 bumps B<40:214.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -0.894:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.887:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.794:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.734:        0
:  1436:A  53 SER  N   :A  51 VAL  O   :   -0.632:        0
:  1436:A  64 ASP  O   :A  51 VAL  O   :   -0.617:        0
:  1436:A  45 ILE 2HD1 :A  42 ILE  CD1 :   -0.559:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.524:        0
:  1436:A  64 ASP  O   :A  52 LYS 2HB  :   -0.478:        0
:  1436:A  64 ASP  HA  :A  14 THR  CB  :   -0.473:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.472:        0
:  1436:A  12 HIS  C   :A  14 THR  H   :   -0.463:        0
:  1436:A  45 ILE  O   :A  51 VAL 1HG2 :   -0.457:        0
:  1436:A  78 VAL  O   :A  81 VAL 3HG2 :   -0.449:        0
:  1436:A  64 ASP  CG  :A  14 THR  HB  :   -0.423:        0
:  1436:A  54 ILE  N   :A  53 SER  OG  :   -0.415:        0
:  1436:A  64 ASP  HA  :A  14 THR  HB  :   -0.401:        0

:  1436:A  35 ASP  N   :A  34 VAL 2HG1 :   -0.629:        0
:  1436:A  35 ASP  N   :A  34 VAL  CG1 :   -0.497:        0
:  1436:A  35 ASP  N   :A  38 GLN  OE1 :   -0.470:        0
:  1436:A  34 VAL 2HG1 :A  35 ASP  H   :   -0.441:        0
:  1436:A  34 VAL  CG1 :A  35 ASP  H   :   -0.437:        0
:  1436:A  36 ASP  C   :A  38 GLN  N   :   -0.409:        0

:  1436:A   8 GLU  CD  :A   8 GLU  H   :   -0.583:        0

:  1436:A  60 PHE  CZ  :A  57 VAL  CG1 :   -0.575:        0
:  1436:A  60 PHE  CD1 :A  60 PHE  C   :   -0.537:        0

:  1436:A  33 LYS  CG  :A  33 LYS  O   :   -0.573:        0

:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.557:        0
:  1436:A  75 LEU  CB  :A  76 PRO  CD  :   -0.447:        0

:  1436:A   6 ILE 2HG2 :A   7 SER  H   :   -0.487:        0
:  1436:A   6 ILE 3HD1 :A   6 ILE  N   :   -0.415:        0

:  1436:A  24 GLU  C   :A  23 ARG  O   :   -0.482:        0
:  1436:A  22 SER  O   :A  23 ARG  C   :   -0.468:        0

:  1436:A  91 HIS  N   :A  91 HIS  ND1 :   -0.476:        0

:  1436:A  13 ASN  O   :A  65 LYS  N   :   -0.476:        0

:  1436:A  91 HIS  N   :A  90 HIS  CD2 :   -0.439:        0

:  1436:A  13 ASN  ND2 :A  13 ASN  N   :   -0.438:        0

:  1436:A  27 THR 2HG2 :A  28 SER  H   :   -0.474:        0
:  1436:A  27 THR  CG2 :A  28 SER  H   :   -0.406:        0
:  1436:A  27 THR  HG1 :A  26 MET  C   :   -0.405:        0

:  1436:A  88 HIS  ND1 :A  89 HIS  N   :   -0.457:        0

:  1436:A  15 MET 1HG  :A  71 TRP  CZ2 :   -0.446:        0

:  1436:A  82 PHE  CD1 :A  82 PHE  N   :   -0.426:        0

:  1436:A  11 ASN  N   :A   9 THR  C   :   -0.421:        0
:  1436:A  11 ASN  H   :A   9 THR  C   :   -0.406:        0

:  1436:A  59 ASP  N   :A  58 MET 2HG  :   -0.405:        0
#sum2 ::32.03 clashscore : 32.03 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161828 potential dots:10110.0 A^2:46 bumps:46 bumps B<40:214.3 score

List of bad contacts calculated by MAGE for model $num_n

/farm/software/bin/probe

:  1436:A  42 ILE 3HD1 :A  45 ILE 2HD1 :   -1.001:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE 1HD1 :   -0.714:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE  CB  :   -0.679:        0
:  1436:A  81 VAL 3HG1 :A  41 PHE 2HB  :   -0.633:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CD1 :   -0.606:        0
:  1436:A  81 VAL 1HG2 :A  45 ILE  CG1 :   -0.578:        0
:  1436:A  78 VAL  O   :A  81 VAL 3HG2 :   -0.490:        0

:  1436:A  57 VAL 2HG2 :A  58 MET  H   :   -0.741:        0
:  1436:A  57 VAL 2HG2 :A  58 MET  N   :   -0.636:        0
:  1436:A  58 MET  H   :A  57 VAL  CG2 :   -0.499:        0
:  1436:A  58 MET  N   :A  57 VAL  CG2 :   -0.460:        0
:  1436:A  57 VAL  O   :A  58 MET  C   :   -0.435:        0
:  1436:A  57 VAL  HB  :A  55 PHE  CZ  :   -0.419:        0

:  1436:A  46 LEU  CD1 :A  38 GLN 1HE2 :   -0.568:        0
:  1436:A  38 GLN  OE1 :A  31 TYR  CG  :   -0.471:        0
:  1436:A  31 TYR  CD1 :A  38 GLN  CD  :   -0.455:        0
:  1436:A  46 LEU  CD1 :A  38 GLN  NE2 :   -0.405:        0

:  1436:A  48 VAL 3HG2 :A  44 ASP  O   :   -0.549:        0
:  1436:A  48 VAL  N   :A  44 ASP  O   :   -0.425:        0
:  1436:A  44 ASP  OD1 :A  44 ASP  N   :   -0.411:        0

:  1436:A  76 PRO  CD  :A  75 LEU  CB  :   -0.544:        0
:  1436:A  75 LEU  N   :A  76 PRO 1HD  :   -0.469:        0

:  1436:A  19 LEU  O   :A  20 SER  CB  :   -0.540:        0
:  1436:A   5 SER  H   :A  18 THR  HB  :   -0.463:        0
:  1436:A  20 SER  H   :A  18 THR 2HG2 :   -0.440:        0
:  1436:A  20 SER  H   :A  18 THR  CG2 :   -0.414:        0

:  1436:A  88 HIS  O   :A  88 HIS  ND1 :   -0.505:        0

:  1436:A  84 LEU 2HD2 :A  80 ALA  O   :   -0.492:        0
:  1436:A  80 ALA  O   :A  84 LEU  CD2 :   -0.467:        0

:  1436:A  34 VAL  C   :A  33 LYS  O   :   -0.491:        0
:  1436:A  34 VAL 3HG1 :A  43 ASN  ND2 :   -0.410:        0

:  1436:A  13 ASN  OD1 :A  11 ASN  ND2 :   -0.462:        0
:  1436:A  11 ASN  OD1 :A  11 ASN  N   :   -0.442:        0
:  1436:A  12 HIS  O   :A  13 ASN  ND2 :   -0.417:        0

:  1436:A   8 GLU  CD  :A   8 GLU  N   :   -0.460:        0

:  1436:A  54 ILE  N   :A  53 SER  OG  :   -0.456:        0

:  1436:A  23 ARG  O   :A  24 GLU  C   :   -0.451:        0

:  1436:A  15 MET  SD  :A   6 ILE 3HG2 :   -0.436:        0
:  1436:A   6 ILE  O   :A  16 LYS  N   :   -0.427:        0

:  1436:A  26 MET  O   :A  27 THR  CB  :   -0.433:        0

:  1436:A  85 GLU  H   :A  83 GLU  C   :   -0.420:        0

:  1436:A  14 THR  O   :A  14 THR  CG2 :   -0.416:        0
:  1436:A  14 THR  O   :A  14 THR 3HG2 :   -0.413:        0

:  1436:A  71 TRP  C   :A  73 THR  N   :   -0.415:        0
#sum2 ::30.64 clashscore : 30.64 clashscore B<40 
#summary::1436 atoms:1436 atoms B<40:161641 potential dots:10100.0 A^2:44 bumps:44 bumps B<40:234.6 score

Output from PDB validation software

Summary from PDB validation

                                                       May. 14, 15:15:43 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  HD1    HIS   88 -     A  HD1    HIS   90        9            Dist = 1.38
       A  O      VAL   51 -     A  H      SER   53        3            Dist = 1.45
       A  O      TRP   71 -     A  H      LEU   75       10            Dist = 1.46
       A  HG1    THR    9 -     A  H      ASN   11        9            Dist = 1.47
       A  O      TRP   71 -     A  H      LEU   75        2            Dist = 1.48
       A 2H      MET    1 -     A  H      SER   20        7            Dist = 1.49
       A  O      TRP   71 -     A  H      LEU   75        5            Dist = 1.49
       A  O      TRP   71 -     A  H      LEU   75        8            Dist = 1.50
       A  O      TRP   71 -     A  H      LEU   75        9            Dist = 1.50
       A  O      TRP   71 -     A  H      LEU   75        1            Dist = 1.54
       A  O      TRP   71 -     A  H      LEU   75        4            Dist = 1.55
       A  O      VAL   51 -     A  H      SER   53        9            Dist = 1.56
       A  HG1    THR    9 -     A  HD1    HIS   12        6            Dist = 1.56
       A 3HZ     LYS   65 -     A  HE1    TRP   71        8            Dist = 1.58
       A  O      ASN   13 -     A  H      LYS   65        9            Dist = 1.58
       A  O      LEU   75 -     A  H      GLU   79        7            Dist = 1.58
       A  O      TRP   71 -     A  H      LEU   75        7            Dist = 1.59
       A  O      VAL   51 -     A  H      SER   53        7            Dist = 1.60
       A  O      GLU   79 -     A  H      GLU   83        7            Dist = 1.60
       A  O      VAL   51 -     A  O      ASP   64        3            Dist = 2.11
       A  O      VAL   51 -     A  O      ASP   64        7            Dist = 2.16
       A  O      VAL   51 -     A  O      ASP   64        9            Dist = 2.18
       A  O      VAL   51 -     A  N      SER   53        3            Dist = 2.18


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   0.011 Angstroms

All covalent bonds lie within a 6.0*RMSD range about the 
standard dictionary values.

    *** Covalent Angle Values:


The RMS deviation for covalent angles relative to the standard 
dictionary is    1.4 degrees.


All covalent bond angles lie within a 6.0*RMSD range about the 
standard dictionary values.


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       ASN       11      1HD2
  1    A       ASN       11      2HD2
  1    A       ASN       13      1HD2
  1    A       ASN       13      2HD2
  1    A       GLN       38      1HE2
  1    A       GLN       38      2HE2
  1    A       ASN       43      1HD2
  1    A       ASN       43      2HD2
  1    A       ASN       67      1HD2
  1    A       ASN       67      2HD2
  1    A       ASN       70      1HD2
  1    A       ASN       70      2HD2
  2    A       ASN       11      1HD2
  2    A       ASN       11      2HD2
  2    A       ASN       13      1HD2
  2    A       ASN       13      2HD2
  2    A       GLN       38      1HE2
  2    A       GLN       38      2HE2
  2    A       ASN       43      1HD2
  2    A       ASN       43      2HD2
  2    A       ASN       67      1HD2
  2    A       ASN       67      2HD2
  2    A       ASN       70      1HD2
  2    A       ASN       70      2HD2
  3    A       ASN       11      1HD2
  3    A       ASN       11      2HD2
  3    A       ASN       13      1HD2
  3    A       ASN       13      2HD2
  3    A       GLN       38      1HE2
  3    A       GLN       38      2HE2
  3    A       ASN       43      1HD2
  3    A       ASN       43      2HD2
  3    A       ASN       67      1HD2
  3    A       ASN       67      2HD2
  3    A       ASN       70      1HD2
  3    A       ASN       70      2HD2
  4    A       ASN       11      1HD2
  4    A       ASN       11      2HD2
  4    A       ASN       13      1HD2
  4    A       ASN       13      2HD2
  4    A       GLN       38      1HE2
  4    A       GLN       38      2HE2
  4    A       ASN       43      1HD2
  4    A       ASN       43      2HD2
  4    A       ASN       67      1HD2
  4    A       ASN       67      2HD2
  4    A       ASN       70      1HD2
  4    A       ASN       70      2HD2
  5    A       ASN       11      1HD2
  5    A       ASN       11      2HD2
  5    A       ASN       13      1HD2
  5    A       ASN       13      2HD2
  5    A       GLN       38      1HE2
  5    A       GLN       38      2HE2
  5    A       ASN       43      1HD2
  5    A       ASN       43      2HD2
  5    A       ASN       67      1HD2
  5    A       ASN       67      2HD2
  5    A       ASN       70      1HD2
  5    A       ASN       70      2HD2
  6    A       ASN       11      1HD2
  6    A       ASN       11      2HD2
  6    A       ASN       13      1HD2
  6    A       ASN       13      2HD2
  6    A       GLN       38      1HE2
  6    A       GLN       38      2HE2
  6    A       ASN       43      1HD2
  6    A       ASN       43      2HD2
  6    A       ASN       67      1HD2
  6    A       ASN       67      2HD2
  6    A       ASN       70      1HD2
  6    A       ASN       70      2HD2
  7    A       ASN       11      1HD2
  7    A       ASN       11      2HD2
  7    A       ASN       13      1HD2
  7    A       ASN       13      2HD2
  7    A       GLN       38      1HE2
  7    A       GLN       38      2HE2
  7    A       ASN       43      1HD2
  7    A       ASN       43      2HD2
  7    A       ASN       67      1HD2
  7    A       ASN       67      2HD2
  7    A       ASN       70      1HD2
  7    A       ASN       70      2HD2
  8    A       ASN       11      1HD2
  8    A       ASN       11      2HD2
  8    A       ASN       13      1HD2
  8    A       ASN       13      2HD2
  8    A       GLN       38      1HE2
  8    A       GLN       38      2HE2
  8    A       ASN       43      1HD2
  8    A       ASN       43      2HD2
  8    A       ASN       67      1HD2
  8    A       ASN       67      2HD2
  8    A       ASN       70      1HD2
  8    A       ASN       70      2HD2
  9    A       ASN       11      1HD2
  9    A       ASN       11      2HD2
  9    A       ASN       13      1HD2
  9    A       ASN       13      2HD2
  9    A       GLN       38      1HE2
  9    A       GLN       38      2HE2
  9    A       ASN       43      1HD2
  9    A       ASN       43      2HD2
  9    A       ASN       67      1HD2
  9    A       ASN       67      2HD2
  9    A       ASN       70      1HD2
  9    A       ASN       70      2HD2
 10    A       ASN       11      1HD2
 10    A       ASN       11      2HD2
 10    A       ASN       13      1HD2
 10    A       ASN       13      2HD2
 10    A       GLN       38      1HE2
 10    A       GLN       38      2HE2
 10    A       ASN       43      1HD2
 10    A       ASN       43      2HD2
 10    A       ASN       67      1HD2
 10    A       ASN       67      2HD2
 10    A       ASN       70      1HD2
 10    A       ASN       70      2HD2

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 -90 )
     LYS(  1 A -89 )
     ILE(  1 A -88 )
     ILE(  1 A -87 )
     SER(  1 A -86 )
     ILE(  1 A -85 )
     SER(  1 A -84 )
     GLU(  1 A -83 )
     THR(  1 A -82 )
     PRO(  1 A -81 )
     ASN(  1 A -80 )
     HIS(  1 A -79 )
     ASN(  1 A -78 )
     THR(  1 A -77 )
     MET(  1 A -76 )
     LYS(  1 A -75 )
     ILE(  1 A -74 )
     THR(  1 A -73 )
     LEU(  1 A -72 )
     SER(  1 A -71 )
     GLU(  1 A -70 )
     SER(  1 A -69 )
     ARG(  1 A -68 )
     GLU(  1 A -67 )
     GLY(  1 A -66 )
     MET(  1 A -65 )
     THR(  1 A -64 )
     SER(  1 A -63 )
     ASP(  1 A -62 )
     THR(  1 A -61 )
     TYR(  1 A -60 )
     THR(  1 A -59 )
     LYS(  1 A -58 )
     VAL(  1 A -57 )
     ASP(  1 A -56 )
     ASP(  1 A -55 )
     SER(  1 A -54 )
     GLN(  1 A -53 )
     PRO(  1 A -52 )
     ALA(  1 A -51 )
     PHE(  1 A -50 )
     ILE(  1 A -49 )
     ASN(  1 A -48 )
     ASP(  1 A -47 )
     ILE(  1 A -46 )
     LEU(  1 A -45 )
     LYS(  1 A -44 )
     VAL(  1 A -43 )
     GLU(  1 A -42 )
     GLY(  1 A -41 )
     VAL(  1 A -40 )
     LYS(  1 A -39 )
     SER(  1 A -38 )
     ILE(  1 A -37 )
     PHE(  1 A -36 )
     HIS(  1 A -35 )
     VAL(  1 A -34 )
     MET(  1 A -33 )
     ASP(  1 A -32 )
     PHE(  1 A -31 )
     ILE(  1 A -30 )
     SER(  1 A -29 )
     VAL(  1 A -28 )
     ASP(  1 A -27 )
     LYS(  1 A -26 )
     GLU(  1 A -25 )
     ASN(  1 A -24 )
     ASP(  1 A -23 )
     ALA(  1 A -22 )
     ASN(  1 A -21 )
     TRP(  1 A -20 )
     GLU(  1 A -19 )
     THR(  1 A -18 )
     VAL(  1 A -17 )
     LEU(  1 A -16 )
     PRO(  1 A -15 )
     LYS(  1 A -14 )
     VAL(  1 A -13 )
     GLU(  1 A -12 )
     ALA(  1 A -11 )
     VAL(  1 A -10 )
     PHE(  1 A  -9 )
     GLU(  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 -90 )
     LYS(  2 A -89 )
     ILE(  2 A -88 )
     ILE(  2 A -87 )
     SER(  2 A -86 )
     ILE(  2 A -85 )
     SER(  2 A -84 )
     GLU(  2 A -83 )
     THR(  2 A -82 )
     PRO(  2 A -81 )
     ASN(  2 A -80 )
     HIS(  2 A -79 )
     ASN(  2 A -78 )
     THR(  2 A -77 )
     MET(  2 A -76 )
     LYS(  2 A -75 )
     ILE(  2 A -74 )
     THR(  2 A -73 )
     LEU(  2 A -72 )
     SER(  2 A -71 )
     GLU(  2 A -70 )
     SER(  2 A -69 )
     ARG(  2 A -68 )
     GLU(  2 A -67 )
     GLY(  2 A -66 )
     MET(  2 A -65 )
     THR(  2 A -64 )
     SER(  2 A -63 )
     ASP(  2 A -62 )
     THR(  2 A -61 )
     TYR(  2 A -60 )
     THR(  2 A -59 )
     LYS(  2 A -58 )
     VAL(  2 A -57 )
     ASP(  2 A -56 )
     ASP(  2 A -55 )
     SER(  2 A -54 )
     GLN(  2 A -53 )
     PRO(  2 A -52 )
     ALA(  2 A -51 )
     PHE(  2 A -50 )
     ILE(  2 A -49 )
     ASN(  2 A -48 )
     ASP(  2 A -47 )
     ILE(  2 A -46 )
     LEU(  2 A -45 )
     LYS(  2 A -44 )
     VAL(  2 A -43 )
     GLU(  2 A -42 )
     GLY(  2 A -41 )
     VAL(  2 A -40 )
     LYS(  2 A -39 )
     SER(  2 A -38 )
     ILE(  2 A -37 )
     PHE(  2 A -36 )
     HIS(  2 A -35 )
     VAL(  2 A -34 )
     MET(  2 A -33 )
     ASP(  2 A -32 )
     PHE(  2 A -31 )
     ILE(  2 A -30 )
     SER(  2 A -29 )
     VAL(  2 A -28 )
     ASP(  2 A -27 )
     LYS(  2 A -26 )
     GLU(  2 A -25 )
     ASN(  2 A -24 )
     ASP(  2 A -23 )
     ALA(  2 A -22 )
     ASN(  2 A -21 )
     TRP(  2 A -20 )
     GLU(  2 A -19 )
     THR(  2 A -18 )
     VAL(  2 A -17 )
     LEU(  2 A -16 )
     PRO(  2 A -15 )
     LYS(  2 A -14 )
     VAL(  2 A -13 )
     GLU(  2 A -12 )
     ALA(  2 A -11 )
     VAL(  2 A -10 )
     PHE(  2 A  -9 )
     GLU(  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 -90 )
     LYS(  3 A -89 )
     ILE(  3 A -88 )
     ILE(  3 A -87 )
     SER(  3 A -86 )
     ILE(  3 A -85 )
     SER(  3 A -84 )
     GLU(  3 A -83 )
     THR(  3 A -82 )
     PRO(  3 A -81 )
     ASN(  3 A -80 )
     HIS(  3 A -79 )
     ASN(  3 A -78 )
     THR(  3 A -77 )
     MET(  3 A -76 )
     LYS(  3 A -75 )
     ILE(  3 A -74 )
     THR(  3 A -73 )
     LEU(  3 A -72 )
     SER(  3 A -71 )
     GLU(  3 A -70 )
     SER(  3 A -69 )
     ARG(  3 A -68 )
     GLU(  3 A -67 )
     GLY(  3 A -66 )
     MET(  3 A -65 )
     THR(  3 A -64 )
     SER(  3 A -63 )
     ASP(  3 A -62 )
     THR(  3 A -61 )
     TYR(  3 A -60 )
     THR(  3 A -59 )
     LYS(  3 A -58 )
     VAL(  3 A -57 )
     ASP(  3 A -56 )
     ASP(  3 A -55 )
     SER(  3 A -54 )
     GLN(  3 A -53 )
     PRO(  3 A -52 )
     ALA(  3 A -51 )
     PHE(  3 A -50 )
     ILE(  3 A -49 )
     ASN(  3 A -48 )
     ASP(  3 A -47 )
     ILE(  3 A -46 )
     LEU(  3 A -45 )
     LYS(  3 A -44 )
     VAL(  3 A -43 )
     GLU(  3 A -42 )
     GLY(  3 A -41 )
     VAL(  3 A -40 )
     LYS(  3 A -39 )
     SER(  3 A -38 )
     ILE(  3 A -37 )
     PHE(  3 A -36 )
     HIS(  3 A -35 )
     VAL(  3 A -34 )
     MET(  3 A -33 )
     ASP(  3 A -32 )
     PHE(  3 A -31 )
     ILE(  3 A -30 )
     SER(  3 A -29 )
     VAL(  3 A -28 )
     ASP(  3 A -27 )
     LYS(  3 A -26 )
     GLU(  3 A -25 )
     ASN(  3 A -24 )
     ASP(  3 A -23 )
     ALA(  3 A -22 )
     ASN(  3 A -21 )
     TRP(  3 A -20 )
     GLU(  3 A -19 )
     THR(  3 A -18 )
     VAL(  3 A -17 )
     LEU(  3 A -16 )
     PRO(  3 A -15 )
     LYS(  3 A -14 )
     VAL(  3 A -13 )
     GLU(  3 A -12 )
     ALA(  3 A -11 )
     VAL(  3 A -10 )
     PHE(  3 A  -9 )
     GLU(  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 -90 )
     LYS(  4 A -89 )
     ILE(  4 A -88 )
     ILE(  4 A -87 )
     SER(  4 A -86 )
     ILE(  4 A -85 )
     SER(  4 A -84 )
     GLU(  4 A -83 )
     THR(  4 A -82 )
     PRO(  4 A -81 )
     ASN(  4 A -80 )
     HIS(  4 A -79 )
     ASN(  4 A -78 )
     THR(  4 A -77 )
     MET(  4 A -76 )
     LYS(  4 A -75 )
     ILE(  4 A -74 )
     THR(  4 A -73 )
     LEU(  4 A -72 )
     SER(  4 A -71 )
     GLU(  4 A -70 )
     SER(  4 A -69 )
     ARG(  4 A -68 )
     GLU(  4 A -67 )
     GLY(  4 A -66 )
     MET(  4 A -65 )
     THR(  4 A -64 )
     SER(  4 A -63 )
     ASP(  4 A -62 )
     THR(  4 A -61 )
     TYR(  4 A -60 )
     THR(  4 A -59 )
     LYS(  4 A -58 )
     VAL(  4 A -57 )
     ASP(  4 A -56 )
     ASP(  4 A -55 )
     SER(  4 A -54 )
     GLN(  4 A -53 )
     PRO(  4 A -52 )
     ALA(  4 A -51 )
     PHE(  4 A -50 )
     ILE(  4 A -49 )
     ASN(  4 A -48 )
     ASP(  4 A -47 )
     ILE(  4 A -46 )
     LEU(  4 A -45 )
     LYS(  4 A -44 )
     VAL(  4 A -43 )
     GLU(  4 A -42 )
     GLY(  4 A -41 )
     VAL(  4 A -40 )
     LYS(  4 A -39 )
     SER(  4 A -38 )
     ILE(  4 A -37 )
     PHE(  4 A -36 )
     HIS(  4 A -35 )
     VAL(  4 A -34 )
     MET(  4 A -33 )
     ASP(  4 A -32 )
     PHE(  4 A -31 )
     ILE(  4 A -30 )
     SER(  4 A -29 )
     VAL(  4 A -28 )
     ASP(  4 A -27 )
     LYS(  4 A -26 )
     GLU(  4 A -25 )
     ASN(  4 A -24 )
     ASP(  4 A -23 )
     ALA(  4 A -22 )
     ASN(  4 A -21 )
     TRP(  4 A -20 )
     GLU(  4 A -19 )
     THR(  4 A -18 )
     VAL(  4 A -17 )
     LEU(  4 A -16 )
     PRO(  4 A -15 )
     LYS(  4 A -14 )
     VAL(  4 A -13 )
     GLU(  4 A -12 )
     ALA(  4 A -11 )
     VAL(  4 A -10 )
     PHE(  4 A  -9 )
     GLU(  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 -90 )
     LYS(  5 A -89 )
     ILE(  5 A -88 )
     ILE(  5 A -87 )
     SER(  5 A -86 )
     ILE(  5 A -85 )
     SER(  5 A -84 )
     GLU(  5 A -83 )
     THR(  5 A -82 )
     PRO(  5 A -81 )
     ASN(  5 A -80 )
     HIS(  5 A -79 )
     ASN(  5 A -78 )
     THR(  5 A -77 )
     MET(  5 A -76 )
     LYS(  5 A -75 )
     ILE(  5 A -74 )
     THR(  5 A -73 )
     LEU(  5 A -72 )
     SER(  5 A -71 )
     GLU(  5 A -70 )
     SER(  5 A -69 )
     ARG(  5 A -68 )
     GLU(  5 A -67 )
     GLY(  5 A -66 )
     MET(  5 A -65 )
     THR(  5 A -64 )
     SER(  5 A -63 )
     ASP(  5 A -62 )
     THR(  5 A -61 )
     TYR(  5 A -60 )
     THR(  5 A -59 )
     LYS(  5 A -58 )
     VAL(  5 A -57 )
     ASP(  5 A -56 )
     ASP(  5 A -55 )
     SER(  5 A -54 )
     GLN(  5 A -53 )
     PRO(  5 A -52 )
     ALA(  5 A -51 )
     PHE(  5 A -50 )
     ILE(  5 A -49 )
     ASN(  5 A -48 )
     ASP(  5 A -47 )
     ILE(  5 A -46 )
     LEU(  5 A -45 )
     LYS(  5 A -44 )
     VAL(  5 A -43 )
     GLU(  5 A -42 )
     GLY(  5 A -41 )
     VAL(  5 A -40 )
     LYS(  5 A -39 )
     SER(  5 A -38 )
     ILE(  5 A -37 )
     PHE(  5 A -36 )
     HIS(  5 A -35 )
     VAL(  5 A -34 )
     MET(  5 A -33 )
     ASP(  5 A -32 )
     PHE(  5 A -31 )
     ILE(  5 A -30 )
     SER(  5 A -29 )
     VAL(  5 A -28 )
     ASP(  5 A -27 )
     LYS(  5 A -26 )
     GLU(  5 A -25 )
     ASN(  5 A -24 )
     ASP(  5 A -23 )
     ALA(  5 A -22 )
     ASN(  5 A -21 )
     TRP(  5 A -20 )
     GLU(  5 A -19 )
     THR(  5 A -18 )
     VAL(  5 A -17 )
     LEU(  5 A -16 )
     PRO(  5 A -15 )
     LYS(  5 A -14 )
     VAL(  5 A -13 )
     GLU(  5 A -12 )
     ALA(  5 A -11 )
     VAL(  5 A -10 )
     PHE(  5 A  -9 )
     GLU(  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 -90 )
     LYS(  6 A -89 )
     ILE(  6 A -88 )
     ILE(  6 A -87 )
     SER(  6 A -86 )
     ILE(  6 A -85 )
     SER(  6 A -84 )
     GLU(  6 A -83 )
     THR(  6 A -82 )
     PRO(  6 A -81 )
     ASN(  6 A -80 )
     HIS(  6 A -79 )
     ASN(  6 A -78 )
     THR(  6 A -77 )
     MET(  6 A -76 )
     LYS(  6 A -75 )
     ILE(  6 A -74 )
     THR(  6 A -73 )
     LEU(  6 A -72 )
     SER(  6 A -71 )
     GLU(  6 A -70 )
     SER(  6 A -69 )
     ARG(  6 A -68 )
     GLU(  6 A -67 )
     GLY(  6 A -66 )
     MET(  6 A -65 )
     THR(  6 A -64 )
     SER(  6 A -63 )
     ASP(  6 A -62 )
     THR(  6 A -61 )
     TYR(  6 A -60 )
     THR(  6 A -59 )
     LYS(  6 A -58 )
     VAL(  6 A -57 )
     ASP(  6 A -56 )
     ASP(  6 A -55 )
     SER(  6 A -54 )
     GLN(  6 A -53 )
     PRO(  6 A -52 )
     ALA(  6 A -51 )
     PHE(  6 A -50 )
     ILE(  6 A -49 )
     ASN(  6 A -48 )
     ASP(  6 A -47 )
     ILE(  6 A -46 )
     LEU(  6 A -45 )
     LYS(  6 A -44 )
     VAL(  6 A -43 )
     GLU(  6 A -42 )
     GLY(  6 A -41 )
     VAL(  6 A -40 )
     LYS(  6 A -39 )
     SER(  6 A -38 )
     ILE(  6 A -37 )
     PHE(  6 A -36 )
     HIS(  6 A -35 )
     VAL(  6 A -34 )
     MET(  6 A -33 )
     ASP(  6 A -32 )
     PHE(  6 A -31 )
     ILE(  6 A -30 )
     SER(  6 A -29 )
     VAL(  6 A -28 )
     ASP(  6 A -27 )
     LYS(  6 A -26 )
     GLU(  6 A -25 )
     ASN(  6 A -24 )
     ASP(  6 A -23 )
     ALA(  6 A -22 )
     ASN(  6 A -21 )
     TRP(  6 A -20 )
     GLU(  6 A -19 )
     THR(  6 A -18 )
     VAL(  6 A -17 )
     LEU(  6 A -16 )
     PRO(  6 A -15 )
     LYS(  6 A -14 )
     VAL(  6 A -13 )
     GLU(  6 A -12 )
     ALA(  6 A -11 )
     VAL(  6 A -10 )
     PHE(  6 A  -9 )
     GLU(  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 -90 )
     LYS(  7 A -89 )
     ILE(  7 A -88 )
     ILE(  7 A -87 )
     SER(  7 A -86 )
     ILE(  7 A -85 )
     SER(  7 A -84 )
     GLU(  7 A -83 )
     THR(  7 A -82 )
     PRO(  7 A -81 )
     ASN(  7 A -80 )
     HIS(  7 A -79 )
     ASN(  7 A -78 )
     THR(  7 A -77 )
     MET(  7 A -76 )
     LYS(  7 A -75 )
     ILE(  7 A -74 )
     THR(  7 A -73 )
     LEU(  7 A -72 )
     SER(  7 A -71 )
     GLU(  7 A -70 )
     SER(  7 A -69 )
     ARG(  7 A -68 )
     GLU(  7 A -67 )
     GLY(  7 A -66 )
     MET(  7 A -65 )
     THR(  7 A -64 )
     SER(  7 A -63 )
     ASP(  7 A -62 )
     THR(  7 A -61 )
     TYR(  7 A -60 )
     THR(  7 A -59 )
     LYS(  7 A -58 )
     VAL(  7 A -57 )
     ASP(  7 A -56 )
     ASP(  7 A -55 )
     SER(  7 A -54 )
     GLN(  7 A -53 )
     PRO(  7 A -52 )
     ALA(  7 A -51 )
     PHE(  7 A -50 )
     ILE(  7 A -49 )
     ASN(  7 A -48 )
     ASP(  7 A -47 )
     ILE(  7 A -46 )
     LEU(  7 A -45 )
     LYS(  7 A -44 )
     VAL(  7 A -43 )
     GLU(  7 A -42 )
     GLY(  7 A -41 )
     VAL(  7 A -40 )
     LYS(  7 A -39 )
     SER(  7 A -38 )
     ILE(  7 A -37 )
     PHE(  7 A -36 )
     HIS(  7 A -35 )
     VAL(  7 A -34 )
     MET(  7 A -33 )
     ASP(  7 A -32 )
     PHE(  7 A -31 )
     ILE(  7 A -30 )
     SER(  7 A -29 )
     VAL(  7 A -28 )
     ASP(  7 A -27 )
     LYS(  7 A -26 )
     GLU(  7 A -25 )
     ASN(  7 A -24 )
     ASP(  7 A -23 )
     ALA(  7 A -22 )
     ASN(  7 A -21 )
     TRP(  7 A -20 )
     GLU(  7 A -19 )
     THR(  7 A -18 )
     VAL(  7 A -17 )
     LEU(  7 A -16 )
     PRO(  7 A -15 )
     LYS(  7 A -14 )
     VAL(  7 A -13 )
     GLU(  7 A -12 )
     ALA(  7 A -11 )
     VAL(  7 A -10 )
     PHE(  7 A  -9 )
     GLU(  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 -90 )
     LYS(  8 A -89 )
     ILE(  8 A -88 )
     ILE(  8 A -87 )
     SER(  8 A -86 )
     ILE(  8 A -85 )
     SER(  8 A -84 )
     GLU(  8 A -83 )
     THR(  8 A -82 )
     PRO(  8 A -81 )
     ASN(  8 A -80 )
     HIS(  8 A -79 )
     ASN(  8 A -78 )
     THR(  8 A -77 )
     MET(  8 A -76 )
     LYS(  8 A -75 )
     ILE(  8 A -74 )
     THR(  8 A -73 )
     LEU(  8 A -72 )
     SER(  8 A -71 )
     GLU(  8 A -70 )
     SER(  8 A -69 )
     ARG(  8 A -68 )
     GLU(  8 A -67 )
     GLY(  8 A -66 )
     MET(  8 A -65 )
     THR(  8 A -64 )
     SER(  8 A -63 )
     ASP(  8 A -62 )
     THR(  8 A -61 )
     TYR(  8 A -60 )
     THR(  8 A -59 )
     LYS(  8 A -58 )
     VAL(  8 A -57 )
     ASP(  8 A -56 )
     ASP(  8 A -55 )
     SER(  8 A -54 )
     GLN(  8 A -53 )
     PRO(  8 A -52 )
     ALA(  8 A -51 )
     PHE(  8 A -50 )
     ILE(  8 A -49 )
     ASN(  8 A -48 )
     ASP(  8 A -47 )
     ILE(  8 A -46 )
     LEU(  8 A -45 )
     LYS(  8 A -44 )
     VAL(  8 A -43 )
     GLU(  8 A -42 )
     GLY(  8 A -41 )
     VAL(  8 A -40 )
     LYS(  8 A -39 )
     SER(  8 A -38 )
     ILE(  8 A -37 )
     PHE(  8 A -36 )
     HIS(  8 A -35 )
     VAL(  8 A -34 )
     MET(  8 A -33 )
     ASP(  8 A -32 )
     PHE(  8 A -31 )
     ILE(  8 A -30 )
     SER(  8 A -29 )
     VAL(  8 A -28 )
     ASP(  8 A -27 )
     LYS(  8 A -26 )
     GLU(  8 A -25 )
     ASN(  8 A -24 )
     ASP(  8 A -23 )
     ALA(  8 A -22 )
     ASN(  8 A -21 )
     TRP(  8 A -20 )
     GLU(  8 A -19 )
     THR(  8 A -18 )
     VAL(  8 A -17 )
     LEU(  8 A -16 )
     PRO(  8 A -15 )
     LYS(  8 A -14 )
     VAL(  8 A -13 )
     GLU(  8 A -12 )
     ALA(  8 A -11 )
     VAL(  8 A -10 )
     PHE(  8 A  -9 )
     GLU(  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 -90 )
     LYS(  9 A -89 )
     ILE(  9 A -88 )
     ILE(  9 A -87 )
     SER(  9 A -86 )
     ILE(  9 A -85 )
     SER(  9 A -84 )
     GLU(  9 A -83 )
     THR(  9 A -82 )
     PRO(  9 A -81 )
     ASN(  9 A -80 )
     HIS(  9 A -79 )
     ASN(  9 A -78 )
     THR(  9 A -77 )
     MET(  9 A -76 )
     LYS(  9 A -75 )
     ILE(  9 A -74 )
     THR(  9 A -73 )
     LEU(  9 A -72 )
     SER(  9 A -71 )
     GLU(  9 A -70 )
     SER(  9 A -69 )
     ARG(  9 A -68 )
     GLU(  9 A -67 )
     GLY(  9 A -66 )
     MET(  9 A -65 )
     THR(  9 A -64 )
     SER(  9 A -63 )
     ASP(  9 A -62 )
     THR(  9 A -61 )
     TYR(  9 A -60 )
     THR(  9 A -59 )
     LYS(  9 A -58 )
     VAL(  9 A -57 )
     ASP(  9 A -56 )
     ASP(  9 A -55 )
     SER(  9 A -54 )
     GLN(  9 A -53 )
     PRO(  9 A -52 )
     ALA(  9 A -51 )
     PHE(  9 A -50 )
     ILE(  9 A -49 )
     ASN(  9 A -48 )
     ASP(  9 A -47 )
     ILE(  9 A -46 )
     LEU(  9 A -45 )
     LYS(  9 A -44 )
     VAL(  9 A -43 )
     GLU(  9 A -42 )
     GLY(  9 A -41 )
     VAL(  9 A -40 )
     LYS(  9 A -39 )
     SER(  9 A -38 )
     ILE(  9 A -37 )
     PHE(  9 A -36 )
     HIS(  9 A -35 )
     VAL(  9 A -34 )
     MET(  9 A -33 )
     ASP(  9 A -32 )
     PHE(  9 A -31 )
     ILE(  9 A -30 )
     SER(  9 A -29 )
     VAL(  9 A -28 )
     ASP(  9 A -27 )
     LYS(  9 A -26 )
     GLU(  9 A -25 )
     ASN(  9 A -24 )
     ASP(  9 A -23 )
     ALA(  9 A -22 )
     ASN(  9 A -21 )
     TRP(  9 A -20 )
     GLU(  9 A -19 )
     THR(  9 A -18 )
     VAL(  9 A -17 )
     LEU(  9 A -16 )
     PRO(  9 A -15 )
     LYS(  9 A -14 )
     VAL(  9 A -13 )
     GLU(  9 A -12 )
     ALA(  9 A -11 )
     VAL(  9 A -10 )
     PHE(  9 A  -9 )
     GLU(  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 -90 )
     LYS( 10 A -89 )
     ILE( 10 A -88 )
     ILE( 10 A -87 )
     SER( 10 A -86 )
     ILE( 10 A -85 )
     SER( 10 A -84 )
     GLU( 10 A -83 )
     THR( 10 A -82 )
     PRO( 10 A -81 )
     ASN( 10 A -80 )
     HIS( 10 A -79 )
     ASN( 10 A -78 )
     THR( 10 A -77 )
     MET( 10 A -76 )
     LYS( 10 A -75 )
     ILE( 10 A -74 )
     THR( 10 A -73 )
     LEU( 10 A -72 )
     SER( 10 A -71 )
     GLU( 10 A -70 )
     SER( 10 A -69 )
     ARG( 10 A -68 )
     GLU( 10 A -67 )
     GLY( 10 A -66 )
     MET( 10 A -65 )
     THR( 10 A -64 )
     SER( 10 A -63 )
     ASP( 10 A -62 )
     THR( 10 A -61 )
     TYR( 10 A -60 )
     THR( 10 A -59 )
     LYS( 10 A -58 )
     VAL( 10 A -57 )
     ASP( 10 A -56 )
     ASP( 10 A -55 )
     SER( 10 A -54 )
     GLN( 10 A -53 )
     PRO( 10 A -52 )
     ALA( 10 A -51 )
     PHE( 10 A -50 )
     ILE( 10 A -49 )
     ASN( 10 A -48 )
     ASP( 10 A -47 )
     ILE( 10 A -46 )
     LEU( 10 A -45 )
     LYS( 10 A -44 )
     VAL( 10 A -43 )
     GLU( 10 A -42 )
     GLY( 10 A -41 )
     VAL( 10 A -40 )
     LYS( 10 A -39 )
     SER( 10 A -38 )
     ILE( 10 A -37 )
     PHE( 10 A -36 )
     HIS( 10 A -35 )
     VAL( 10 A -34 )
     MET( 10 A -33 )
     ASP( 10 A -32 )
     PHE( 10 A -31 )
     ILE( 10 A -30 )
     SER( 10 A -29 )
     VAL( 10 A -28 )
     ASP( 10 A -27 )
     LYS( 10 A -26 )
     GLU( 10 A -25 )
     ASN( 10 A -24 )
     ASP( 10 A -23 )
     ALA( 10 A -22 )
     ASN( 10 A -21 )
     TRP( 10 A -20 )
     GLU( 10 A -19 )
     THR( 10 A -18 )
     VAL( 10 A -17 )
     LEU( 10 A -16 )
     PRO( 10 A -15 )
     LYS( 10 A -14 )
     VAL( 10 A -13 )
     GLU( 10 A -12 )
     ALA( 10 A -11 )
     VAL( 10 A -10 )
     PHE( 10 A  -9 )
     GLU( 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 )


   PDB Chain_ID: A

           1                                                        15
   SEQRES: MET LYS ILE ILE SER ILE SER GLU THR PRO ASN HIS ASN THR MET 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           16                                                       30
   SEQRES: LYS ILE THR LEU SER GLU SER ARG GLU GLY MET THR SER ASP THR 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

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

           46                                                       60
   SEQRES: LEU LYS VAL GLU GLY VAL LYS SER ILE PHE HIS VAL MET ASP PHE 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           61                                                       75
   SEQRES: ILE SER VAL ASP LYS GLU ASN ASP ALA ASN TRP GLU THR VAL LEU 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           76                                                       90
   SEQRES: PRO LYS VAL GLU ALA VAL PHE GLU LEU GLU HIS HIS HIS HIS HIS 
   COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ... 
                                                                       

           91                                                      105
   SEQRES: HIS MET LYS ILE ILE SER ILE SER GLU THR PRO ASN HIS ASN THR 
   COORDS: ... MET LYS ILE ILE SER ILE SER GLU THR PRO ASN HIS ASN THR 
               1                                                    14

           106                                                     120
   SEQRES: MET LYS ILE THR LEU SER GLU SER ARG GLU GLY MET THR SER ASP 
   COORDS: MET LYS ILE THR LEU SER GLU SER ARG GLU GLY MET THR SER ASP 
           15                                                       29

           121                                                     135
   SEQRES: THR TYR THR LYS VAL ASP ASP SER GLN PRO ALA PHE ILE ASN ASP 
   COORDS: THR TYR THR LYS VAL ASP ASP SER GLN PRO ALA PHE ILE ASN ASP 
           30                                                       44

           136                                                     150
   SEQRES: ILE LEU LYS VAL GLU GLY VAL LYS SER ILE PHE HIS VAL MET ASP 
   COORDS: ILE LEU LYS VAL GLU GLY VAL LYS SER ILE PHE HIS VAL MET ASP 
           45                                                       59

           151                                                     165
   SEQRES: PHE ILE SER VAL ASP LYS GLU ASN ASP ALA ASN TRP GLU THR VAL 
   COORDS: PHE ILE SER VAL ASP LYS GLU ASN ASP ALA ASN TRP GLU THR VAL 
           60                                                       74

           166                                                     180
   SEQRES: LEU PRO LYS VAL GLU ALA VAL PHE GLU LEU GLU HIS HIS HIS HIS 
   COORDS: LEU PRO LYS VAL GLU ALA VAL PHE GLU LEU GLU HIS HIS HIS HIS 
           75                                                       89

           181  182
   SEQRES: HIS HIS 
   COORDS: HIS HIS 
           90    91


==> The following residues have missing atoms:                        

     RES MOD#C SEQ          ATOMS

     GLU(  1 A   8)         HE2 
     HIS(  1 A  12)         HE2 
     GLU(  1 A  21)         HE2 
     GLU(  1 A  24)         HE2 
     ASP(  1 A  29)         HD2 
     ASP(  1 A  35)         HD2 
     ASP(  1 A  36)         HD2 
     ASP(  1 A  44)         HD2 
     GLU(  1 A  49)         HE2 
     HIS(  1 A  56)         HE2 
     ASP(  1 A  59)         HD2 
     ASP(  1 A  64)         HD2 
     GLU(  1 A  66)         HE2 
     ASP(  1 A  68)         HD2 
     GLU(  1 A  72)         HE2 
     GLU(  1 A  79)         HE2 
     GLU(  1 A  83)         HE2 
     GLU(  1 A  85)         HE2 
     HIS(  1 A  86)         HE2 
     HIS(  1 A  87)         HE2 
     HIS(  1 A  88)         HE2 
     HIS(  1 A  89)         HE2 
     HIS(  1 A  90)         HE2 
     HIS(  1 A  91)         HE2 
     GLU(  2 A   8)         HE2 
     HIS(  2 A  12)         HE2 
     GLU(  2 A  21)         HE2 
     GLU(  2 A  24)         HE2 
     ASP(  2 A  29)         HD2 
     ASP(  2 A  35)         HD2 
     ASP(  2 A  36)         HD2 
     ASP(  2 A  44)         HD2 
     GLU(  2 A  49)         HE2 
     HIS(  2 A  56)         HE2 
     ASP(  2 A  59)         HD2 
     ASP(  2 A  64)         HD2 
     GLU(  2 A  66)         HE2 
     ASP(  2 A  68)         HD2 
     GLU(  2 A  72)         HE2 
     GLU(  2 A  79)         HE2 
     GLU(  2 A  83)         HE2 
     GLU(  2 A  85)         HE2 
     HIS(  2 A  86)         HE2 
     HIS(  2 A  87)         HE2 
     HIS(  2 A  88)         HE2 
     HIS(  2 A  89)         HE2 
     HIS(  2 A  90)         HE2 
     HIS(  2 A  91)         HE2 
     GLU(  3 A   8)         HE2 
     HIS(  3 A  12)         HE2 
     GLU(  3 A  21)         HE2 
     GLU(  3 A  24)         HE2 
     ASP(  3 A  29)         HD2 
     ASP(  3 A  35)         HD2 
     ASP(  3 A  36)         HD2 
     ASP(  3 A  44)         HD2 
     GLU(  3 A  49)         HE2 
     HIS(  3 A  56)         HE2 
     ASP(  3 A  59)         HD2 
     ASP(  3 A  64)         HD2 
     GLU(  3 A  66)         HE2 
     ASP(  3 A  68)         HD2 
     GLU(  3 A  72)         HE2 
     GLU(  3 A  79)         HE2 
     GLU(  3 A  83)         HE2 
     GLU(  3 A  85)         HE2 
     HIS(  3 A  86)         HE2 
     HIS(  3 A  87)         HE2 
     HIS(  3 A  88)         HE2 
     HIS(  3 A  89)         HE2 
     HIS(  3 A  90)         HE2 
     HIS(  3 A  91)         HE2 
     GLU(  4 A   8)         HE2 
     HIS(  4 A  12)         HE2 
     GLU(  4 A  21)         HE2 
     GLU(  4 A  24)         HE2 
     ASP(  4 A  29)         HD2 
     ASP(  4 A  35)         HD2 
     ASP(  4 A  36)         HD2 
     ASP(  4 A  44)         HD2 
     GLU(  4 A  49)         HE2 
     HIS(  4 A  56)         HE2 
     ASP(  4 A  59)         HD2 
     ASP(  4 A  64)         HD2 
     GLU(  4 A  66)         HE2 
     ASP(  4 A  68)         HD2 
     GLU(  4 A  72)         HE2 
     GLU(  4 A  79)         HE2 
     GLU(  4 A  83)         HE2 
     GLU(  4 A  85)         HE2 
     HIS(  4 A  86)         HE2 
     HIS(  4 A  87)         HE2 
     HIS(  4 A  88)         HE2 
     HIS(  4 A  89)         HE2 
     HIS(  4 A  90)         HE2 
     HIS(  4 A  91)         HE2 
     GLU(  5 A   8)         HE2 
     HIS(  5 A  12)         HE2 
     GLU(  5 A  21)         HE2 
     GLU(  5 A  24)         HE2 
     ASP(  5 A  29)         HD2 
     ASP(  5 A  35)         HD2 
     ASP(  5 A  36)         HD2 
     ASP(  5 A  44)         HD2 
     GLU(  5 A  49)         HE2 
     HIS(  5 A  56)         HE2 
     ASP(  5 A  59)         HD2 
     ASP(  5 A  64)         HD2 
     GLU(  5 A  66)         HE2 
     ASP(  5 A  68)         HD2 
     GLU(  5 A  72)         HE2 
     GLU(  5 A  79)         HE2 
     GLU(  5 A  83)         HE2 
     GLU(  5 A  85)         HE2 
     HIS(  5 A  86)         HE2 
     HIS(  5 A  87)         HE2 
     HIS(  5 A  88)         HE2 
     HIS(  5 A  89)         HE2 
     HIS(  5 A  90)         HE2 
     HIS(  5 A  91)         HE2 
     GLU(  6 A   8)         HE2 
     HIS(  6 A  12)         HE2 
     GLU(  6 A  21)         HE2 
     GLU(  6 A  24)         HE2 
     ASP(  6 A  29)         HD2 
     ASP(  6 A  35)         HD2 
     ASP(  6 A  36)         HD2 
     ASP(  6 A  44)         HD2 
     GLU(  6 A  49)         HE2 
     HIS(  6 A  56)         HE2 
     ASP(  6 A  59)         HD2 
     ASP(  6 A  64)         HD2 
     GLU(  6 A  66)         HE2 
     ASP(  6 A  68)         HD2 
     GLU(  6 A  72)         HE2 
     GLU(  6 A  79)         HE2 
     GLU(  6 A  83)         HE2 
     GLU(  6 A  85)         HE2 
     HIS(  6 A  86)         HE2 
     HIS(  6 A  87)         HE2 
     HIS(  6 A  88)         HE2 
     HIS(  6 A  89)         HE2 
     HIS(  6 A  90)         HE2 
     HIS(  6 A  91)         HE2 
     GLU(  7 A   8)         HE2 
     HIS(  7 A  12)         HE2 
     GLU(  7 A  21)         HE2 
     GLU(  7 A  24)         HE2 
     ASP(  7 A  29)         HD2 
     ASP(  7 A  35)         HD2 
     ASP(  7 A  36)         HD2 
     ASP(  7 A  44)         HD2 
     GLU(  7 A  49)         HE2 
     HIS(  7 A  56)         HE2 
     ASP(  7 A  59)         HD2 
     ASP(  7 A  64)         HD2 
     GLU(  7 A  66)         HE2 
     ASP(  7 A  68)         HD2 
     GLU(  7 A  72)         HE2 
     GLU(  7 A  79)         HE2 
     GLU(  7 A  83)         HE2 
     GLU(  7 A  85)         HE2 
     HIS(  7 A  86)         HE2 
     HIS(  7 A  87)         HE2 
     HIS(  7 A  88)         HE2 
     HIS(  7 A  89)         HE2 
     HIS(  7 A  90)         HE2 
     HIS(  7 A  91)         HE2 
     GLU(  8 A   8)         HE2 
     HIS(  8 A  12)         HE2 
     GLU(  8 A  21)         HE2 
     GLU(  8 A  24)         HE2 
     ASP(  8 A  29)         HD2 
     ASP(  8 A  35)         HD2 
     ASP(  8 A  36)         HD2 
     ASP(  8 A  44)         HD2 
     GLU(  8 A  49)         HE2 
     HIS(  8 A  56)         HE2 
     ASP(  8 A  59)         HD2 
     ASP(  8 A  64)         HD2 
     GLU(  8 A  66)         HE2 
     ASP(  8 A  68)         HD2 
     GLU(  8 A  72)         HE2 
     GLU(  8 A  79)         HE2 
     GLU(  8 A  83)         HE2 
     GLU(  8 A  85)         HE2 
     HIS(  8 A  86)         HE2 
     HIS(  8 A  87)         HE2 
     HIS(  8 A  88)         HE2 
     HIS(  8 A  89)         HE2 
     HIS(  8 A  90)         HE2 
     HIS(  8 A  91)         HE2 
     GLU(  9 A   8)         HE2 
     HIS(  9 A  12)         HE2 
     GLU(  9 A  21)         HE2 
     GLU(  9 A  24)         HE2 
     ASP(  9 A  29)         HD2 
     ASP(  9 A  35)         HD2 
     ASP(  9 A  36)         HD2 
     ASP(  9 A  44)         HD2 
     GLU(  9 A  49)         HE2 
     HIS(  9 A  56)         HE2 
     ASP(  9 A  59)         HD2 
     ASP(  9 A  64)         HD2 
     GLU(  9 A  66)         HE2 
     ASP(  9 A  68)         HD2 
     GLU(  9 A  72)         HE2 
     GLU(  9 A  79)         HE2 
     GLU(  9 A  83)         HE2 
     GLU(  9 A  85)         HE2 
     HIS(  9 A  86)         HE2 
     HIS(  9 A  87)         HE2 
     HIS(  9 A  88)         HE2 
     HIS(  9 A  89)         HE2 
     HIS(  9 A  90)         HE2 
     HIS(  9 A  91)         HE2 
     GLU( 10 A   8)         HE2 
     HIS( 10 A  12)         HE2 
     GLU( 10 A  21)         HE2 
     GLU( 10 A  24)         HE2 
     ASP( 10 A  29)         HD2 
     ASP( 10 A  35)         HD2 
     ASP( 10 A  36)         HD2 
     ASP( 10 A  44)         HD2 
     GLU( 10 A  49)         HE2 
     HIS( 10 A  56)         HE2 
     ASP( 10 A  59)         HD2 
     ASP( 10 A  64)         HD2 
     GLU( 10 A  66)         HE2 
     ASP( 10 A  68)         HD2 
     GLU( 10 A  72)         HE2 
     GLU( 10 A  79)         HE2 
     GLU( 10 A  83)         HE2 
     GLU( 10 A  85)         HE2 
     HIS( 10 A  86)         HE2 
     HIS( 10 A  87)         HE2 
     HIS( 10 A  88)         HE2 
     HIS( 10 A  89)         HE2 
     HIS( 10 A  90)         HE2 
     HIS( 10 A  91)         HE2 
==> The following residues have extra atoms:                         
    
     RES MOD#C SEQ          ATOMS
    
     HIS(  1 A  91)          O2 
     HIS(  2 A  91)          O2 
     HIS(  3 A  91)          O2 
     HIS(  4 A  91)          O2 
     HIS(  5 A  91)          O2 
     HIS(  6 A  91)          O2 
     HIS(  7 A  91)          O2 
     HIS(  8 A  91)          O2 
     HIS(  9 A  91)          O2 
     HIS( 10 A  91)          O2 



    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