
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  177 ( 1394),  selected  169 , name one
# Molecule2: number of CA atoms  169 ( 1322),  selected  169 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   169       9_B - 177_B       1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   169       9_B - 177_B       1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   161      17_B - 177_B       0.94     2.18
  LCS_AVERAGE:     90.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  169
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     9_B     G     9_B      5  169  169      4    5    6    6    9   10  158  162  162  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    10_B     L    10_B      5  169  169      4    5   18   67  117  157  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    11_B     V    11_B      5  169  169      4    5    6    6   36   47   89  161  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    12_B     P    12_B      5  169  169      4    5   13   45  107  141  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     R    13_B     R    13_B      5  169  169      3    5    6    8   12   20   27   45   57   88  150  164  168  168  168  169  169  169  169  169 
LCS_GDT     G    14_B     G    14_B      4  169  169      3    4    5    8    9   13   16   21   25   36   55   63  106  134  167  169  169  169  169  169 
LCS_GDT     S    15_B     S    15_B      3  169  169      3    4    6    8    9   13   20   36  114  136  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     H    16_B     H    16_B      3  169  169      3    3    5    5   69   83   99  157  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     M    17_B     M    17_B    161  169  169      3    4    6    8   21   37   56   80  114  162  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    18_B     T    18_B    161  169  169      3    3    5   68   92  134  160  160  160  163  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    19_B     L    19_B    161  169  169      4  134  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     D    20_B     D    20_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G    21_B     G    21_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    22_B     P    22_B    161  169  169    108  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y    23_B     Y    23_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Q    24_B     Q    24_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    25_B     P    25_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    26_B     T    26_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S    27_B     S    27_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     F    28_B     F    28_B    161  169  169    107  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    29_B     N    29_B    161  169  169    108  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    30_B     P    30_B    161  169  169    112  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    31_B     P    31_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    32_B     V    32_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    33_B     N    33_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y    34_B     Y    34_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     W    35_B     W    35_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     M    36_B     M    36_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    37_B     L    37_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    38_B     L    38_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     A    39_B     A    39_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    40_B     P    40_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    41_B     L    41_B    161  169  169     85  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    42_B     N    42_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     A    43_B     A    43_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G    44_B     G    44_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    45_B     V    45_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    46_B     V    46_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    47_B     V    47_B    161  169  169     77  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E    48_B     E    48_B    161  169  169     61  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G    49_B     G    49_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    50_B     T    50_B    161  169  169    110  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    51_B     N    51_B    161  169  169     56  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    52_B     N    52_B    161  169  169     56  150  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    53_B     T    53_B    161  169  169     13  124  157  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    54_B     N    54_B    161  169  169     44  149  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     R    55_B     R    55_B    161  169  169     56  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     W    56_B     W    56_B    161  169  169    110  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    57_B     L    57_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     A    58_B     A    58_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    59_B     T    59_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I    60_B     I    60_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    61_B     L    61_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    62_B     V    62_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E    63_B     E    63_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P    64_B     P    64_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G    65_B     G    65_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    66_B     V    66_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     A    67_B     A    67_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S    68_B     S    68_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    69_B     T    69_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    70_B     T    70_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     R    71_B     R    71_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    72_B     T    72_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y    73_B     Y    73_B    161  169  169     99  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    74_B     T    74_B    161  169  169     99  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    75_B     L    75_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     F    76_B     F    76_B    161  169  169     68  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G    77_B     G    77_B    161  169  169     43  143  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I    78_B     I    78_B    161  169  169     67  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Q    79_B     Q    79_B    161  169  169     79  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E    80_B     E    80_B    161  169  169     83  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Q    81_B     Q    81_B    161  169  169    100  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I    82_B     I    82_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    83_B     T    83_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V    84_B     V    84_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E    85_B     E    85_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    86_B     N    86_B    161  169  169    112  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S    87_B     S    87_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S    88_B     S    88_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N    89_B     N    89_B    161  169  169    102  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T    90_B     T    90_B    161  169  169      8  145  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     K    91_B     K    91_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     W    92_B     W    92_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     K    93_B     K    93_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     F    94_B     F    94_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I    95_B     I    95_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     D    96_B     D    96_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L    97_B     L    97_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     M    98_B     M    98_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     K    99_B     K    99_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   100_B     T   100_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   101_B     T   101_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   102_B     S   102_B    161  169  169     85  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   103_B     S   103_B    161  169  169      5  140  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   104_B     G   104_B    161  169  169     54  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   105_B     T   105_B    161  169  169     79  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   106_B     Y   106_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   107_B     T   107_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Q   108_B     Q   108_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     H   109_B     H   109_B    161  169  169     75  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   110_B     S   110_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P   111_B     P   111_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L   112_B     L   112_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L   113_B     L   113_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   114_B     S   114_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E   115_B     E   115_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P   116_B     P   116_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     K   117_B     K   117_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L   118_B     L   118_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   119_B     Y   119_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   120_B     G   120_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I   121_B     I   121_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     M   122_B     M   122_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     K   123_B     K   123_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     H   124_B     H   124_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   125_B     G   125_B    161  169  169    112  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   126_B     G   126_B    161  169  169    110  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Q   127_B     Q   127_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     L   128_B     L   128_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     W   129_B     W   129_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   130_B     T   130_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   131_B     Y   131_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     D   132_B     D   132_B    161  169  169    110  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   133_B     G   133_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E   134_B     E   134_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   135_B     T   135_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P   136_B     P   136_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N   137_B     N   137_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     A   138_B     A   138_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I   139_B     I   139_B    161  169  169    100  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   140_B     T   140_B    161  169  169     36  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N   141_B     N   141_B    161  169  169     34  103  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   142_B     G   142_B    161  169  169     36  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   143_B     Y   143_B    161  169  169     68  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   144_B     S   144_B    161  169  169    110  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   145_B     T   145_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   146_B     T   146_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N   147_B     N   147_B    161  169  169    108  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   148_B     Y   148_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     D   149_B     D   149_B    161  169  169     87  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   150_B     S   150_B    161  169  169     63  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V   151_B     V   151_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N   152_B     N   152_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     M   153_B     M   153_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   154_B     T   154_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   155_B     S   155_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     F   156_B     F   156_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     C   157_B     C   157_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     D   158_B     D   158_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     F   159_B     F   159_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   160_B     Y   160_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I   161_B     I   161_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I   162_B     I   162_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     P   163_B     P   163_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     R   164_B     R   164_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   165_B     S   165_B    161  169  169    110  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Q   166_B     Q   166_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E   167_B     E   167_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     S   168_B     S   168_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     V   169_B     V   169_B    161  169  169    108  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     C   170_B     C   170_B    161  169  169    111  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     T   171_B     T   171_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     E   172_B     E   172_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     Y   173_B     Y   173_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     I   174_B     I   174_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N   175_B     N   175_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     N   176_B     N   176_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_GDT     G   177_B     G   177_B    161  169  169    113  151  158  159  159  159  161  162  163  164  165  167  168  168  168  169  169  169  169  169 
LCS_AVERAGE  LCS_A:  96.96  (  90.88  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT    113    151    158    159    159    159    161    162    163    164    165    167    168    168    168    169    169    169    169    169 
GDT PERCENT_AT  66.86  89.35  93.49  94.08  94.08  94.08  95.27  95.86  96.45  97.04  97.63  98.82  99.41  99.41  99.41 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.46   0.53   0.55   0.55   0.55   0.92   0.98   1.24   1.27   1.40   1.59   1.77   1.77   1.77   1.98   1.98   1.98   1.98   1.98
GDT RMS_ALL_AT   2.24   2.21   2.21   2.22   2.22   2.22   2.11   2.09   2.04   2.03   2.02   2.00   1.99   1.99   1.99   1.98   1.98   1.98   1.98   1.98

# Checking swapping
#   possible swapping detected:  Y    23_B      Y    23_B
#   possible swapping detected:  Y    34_B      Y    34_B
#   possible swapping detected:  Y    73_B      Y    73_B
#   possible swapping detected:  E    85_B      E    85_B
#   possible swapping detected:  F    94_B      F    94_B
#   possible swapping detected:  Y   106_B      Y   106_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     9_B      G     9_B     4.417     0    0.695   0.695     7.067   27.619   27.619
LGA    L    10_B      L    10_B     6.222     0    0.051   0.101     9.234   22.976   14.405
LGA    V    11_B      V    11_B     8.101     0    0.205   1.170    12.951    5.476    3.129
LGA    P    12_B      P    12_B     6.136     0    0.041   0.257     9.928    8.929   15.102
LGA    R    13_B      R    13_B    11.246     0    0.127   1.361    22.100    0.714    0.260
LGA    G    14_B      G    14_B    12.866     0    0.120   0.120    12.889    0.000    0.000
LGA    S    15_B      S    15_B     8.907     0    0.663   0.987    10.632    6.786    5.476
LGA    H    16_B      H    16_B     7.233     0    0.672   1.194     9.042   10.357    9.381
LGA    M    17_B      M    17_B     7.944     0    0.326   0.820    13.398    9.167    4.643
LGA    T    18_B      T    18_B     5.273     0    0.599   0.512     7.171   34.524   30.408
LGA    L    19_B      L    19_B     1.730     0    0.157   1.025     3.113   71.429   70.238
LGA    D    20_B      D    20_B     0.450     0    0.120   0.158     0.988   95.238   94.048
LGA    G    21_B      G    21_B     0.466     0    0.059   0.059     0.686   95.238   95.238
LGA    P    22_B      P    22_B     0.588     0    0.038   0.168     0.842   90.476   90.476
LGA    Y    23_B      Y    23_B     0.540     0    0.052   0.190     2.008   92.857   83.968
LGA    Q    24_B      Q    24_B     0.589     0    0.030   1.160     3.785   90.476   75.820
LGA    P    25_B      P    25_B     0.629     0    0.059   0.072     0.917   90.476   90.476
LGA    T    26_B      T    26_B     0.624     0    0.056   1.007     2.806   90.476   80.952
LGA    S    27_B      S    27_B     0.705     0    0.047   0.055     1.015   88.214   88.968
LGA    F    28_B      F    28_B     1.050     0    0.058   0.389     2.011   83.690   79.177
LGA    N    29_B      N    29_B     0.893     0    0.058   0.128     1.330   90.476   87.083
LGA    P    30_B      P    30_B     0.814     0    0.025   0.278     1.219   90.476   89.184
LGA    P    31_B      P    31_B     0.663     0    0.051   0.392     1.040   90.476   90.544
LGA    V    32_B      V    32_B     0.549     0    0.038   1.140     2.968   90.476   83.401
LGA    N    33_B      N    33_B     0.590     0    0.030   0.355     1.244   90.476   92.917
LGA    Y    34_B      Y    34_B     0.608     0    0.013   0.075     0.860   90.476   90.476
LGA    W    35_B      W    35_B     0.656     0    0.027   0.062     0.737   90.476   90.476
LGA    M    36_B      M    36_B     0.653     0    0.024   1.150     4.888   95.238   80.417
LGA    L    37_B      L    37_B     0.322     0    0.063   0.090     0.530  100.000   98.810
LGA    L    38_B      L    38_B     0.477     0    0.048   0.404     1.069   97.619   92.976
LGA    A    39_B      A    39_B     0.335     0    0.140   0.137     0.455  100.000  100.000
LGA    P    40_B      P    40_B     0.282     0    0.041   0.103     0.480  100.000  100.000
LGA    L    41_B      L    41_B     0.483     0    0.192   1.438     4.721   97.619   78.333
LGA    N    42_B      N    42_B     0.196     0    0.046   1.116     2.646  100.000   91.250
LGA    A    43_B      A    43_B     0.182     0    0.035   0.050     0.222  100.000  100.000
LGA    G    44_B      G    44_B     0.400     0    0.025   0.025     0.400  100.000  100.000
LGA    V    45_B      V    45_B     0.230     0    0.043   0.146     0.505   97.619   98.639
LGA    V    46_B      V    46_B     0.338     0    0.054   0.109     0.540  100.000   98.639
LGA    V    47_B      V    47_B     0.589     0    0.016   0.084     0.822   90.476   90.476
LGA    E    48_B      E    48_B     0.809     0    0.034   0.304     1.739   92.857   85.556
LGA    G    49_B      G    49_B     0.524     0    0.016   0.016     0.622   90.476   90.476
LGA    T    50_B      T    50_B     0.782     0    0.025   1.067     2.544   90.476   83.197
LGA    N    51_B      N    51_B     1.131     0    0.098   0.116     1.812   79.286   83.750
LGA    N    52_B      N    52_B     1.330     0    0.046   1.039     2.962   79.286   76.250
LGA    T    53_B      T    53_B     1.829     0    0.021   0.051     2.028   72.857   72.925
LGA    N    54_B      N    54_B     1.427     0    0.120   0.314     1.637   81.429   82.679
LGA    R    55_B      R    55_B     1.065     0    0.032   0.458     1.675   85.952   82.294
LGA    W    56_B      W    56_B     0.785     0    0.072   0.093     1.005   88.214   89.830
LGA    L    57_B      L    57_B     0.486     0    0.070   0.404     1.596   97.619   93.036
LGA    A    58_B      A    58_B     0.378     0    0.143   0.171     1.082   92.976   94.381
LGA    T    59_B      T    59_B     0.393     0    0.032   0.046     0.579  100.000   95.918
LGA    I    60_B      I    60_B     0.177     0    0.055   0.136     0.369  100.000  100.000
LGA    L    61_B      L    61_B     0.277     0    0.021   0.047     0.355  100.000  100.000
LGA    V    62_B      V    62_B     0.231     0    0.016   0.066     0.405  100.000  100.000
LGA    E    63_B      E    63_B     0.299     0    0.032   0.623     1.816  100.000   93.862
LGA    P    64_B      P    64_B     0.372     0    0.031   0.252     0.616  100.000   97.279
LGA    G    65_B      G    65_B     0.328     0    0.052   0.052     0.515   97.619   97.619
LGA    V    66_B      V    66_B     0.254     0    0.069   0.118     0.546  100.000   98.639
LGA    A    67_B      A    67_B     0.482     0    0.035   0.045     0.685  100.000   98.095
LGA    S    68_B      S    68_B     0.258     0    0.036   0.068     0.648  100.000   98.413
LGA    T    69_B      T    69_B     0.206     0    0.068   0.072     0.894  100.000   95.918
LGA    T    70_B      T    70_B     0.336     0    0.018   0.962     2.305   97.619   88.367
LGA    R    71_B      R    71_B     0.212     0    0.039   0.115     0.495  100.000  100.000
LGA    T    72_B      T    72_B     0.282     0    0.053   0.990     2.246  100.000   91.088
LGA    Y    73_B      Y    73_B     0.392     0    0.035   0.136     0.487  100.000  100.000
LGA    T    74_B      T    74_B     0.373     0    0.061   0.073     0.430  100.000  100.000
LGA    L    75_B      L    75_B     0.423     0    0.018   0.090     0.840  100.000   96.429
LGA    F    76_B      F    76_B     0.633     0    0.069   0.104     0.709   90.476   93.074
LGA    G    77_B      G    77_B     1.087     0    0.053   0.053     1.355   83.690   83.690
LGA    I    78_B      I    78_B     0.718     0    0.046   0.705     1.439   92.857   89.405
LGA    Q    79_B      Q    79_B     0.557     0    0.044   0.903     3.789   90.476   79.418
LGA    E    80_B      E    80_B     0.457     0    0.059   0.597     2.025  100.000   91.852
LGA    Q    81_B      Q    81_B     0.302     0    0.038   1.334     4.127  100.000   82.804
LGA    I    82_B      I    82_B     0.257     0    0.054   0.085     0.500  100.000   98.810
LGA    T    83_B      T    83_B     0.250     0    0.040   0.079     0.615  100.000   98.639
LGA    V    84_B      V    84_B     0.024     0    0.016   0.067     0.410  100.000  100.000
LGA    E    85_B      E    85_B     0.245     0    0.019   0.901     3.440  100.000   84.974
LGA    N    86_B      N    86_B     0.487     0    0.022   0.157     0.619  100.000   98.810
LGA    S    87_B      S    87_B     0.257     0    0.066   0.126     0.599  100.000   98.413
LGA    S    88_B      S    88_B     0.218     0    0.020   0.058     0.299  100.000  100.000
LGA    N    89_B      N    89_B     0.518     0    0.145   0.884     3.699   92.857   75.714
LGA    T    90_B      T    90_B     1.240     0    0.057   0.100     2.250   88.214   80.476
LGA    K    91_B      K    91_B     0.212     0    0.048   0.627     1.840   97.619   92.751
LGA    W    92_B      W    92_B     0.202     0    0.040   0.185     0.657  100.000   98.639
LGA    K    93_B      K    93_B     0.295     0    0.087   0.665     1.937  100.000   91.799
LGA    F    94_B      F    94_B     0.237     0    0.040   0.103     0.454  100.000  100.000
LGA    I    95_B      I    95_B     0.371     0    0.017   0.621     1.797  100.000   93.036
LGA    D    96_B      D    96_B     0.327     0    0.045   0.085     0.459  100.000  100.000
LGA    L    97_B      L    97_B     0.319     0    0.030   0.064     0.497  100.000  100.000
LGA    M    98_B      M    98_B     0.671     0    0.070   1.410     4.563   92.857   77.262
LGA    K    99_B      K    99_B     0.504     0    0.075   0.159     0.893   90.476   95.767
LGA    T   100_B      T   100_B     0.614     0    0.160   0.207     1.402   88.214   87.891
LGA    T   101_B      T   101_B     0.392     0    0.018   0.057     0.855  100.000   95.918
LGA    S   102_B      S   102_B     0.499     0    0.100   0.622     2.240   92.976   87.857
LGA    S   103_B      S   103_B     1.170     0    0.210   0.603     2.034   88.214   81.746
LGA    G   104_B      G   104_B     0.669     0    0.033   0.033     0.680   90.476   90.476
LGA    T   105_B      T   105_B     0.529     0    0.043   1.123     2.610   92.857   84.558
LGA    Y   106_B      Y   106_B     0.353     0    0.021   0.118     0.557  100.000   98.413
LGA    T   107_B      T   107_B     0.590     0    0.026   1.023     3.257   97.619   87.483
LGA    Q   108_B      Q   108_B     0.455     0    0.037   0.238     1.069   95.238   93.704
LGA    H   109_B      H   109_B     0.661     0    0.464   0.697     3.092   80.357   80.190
LGA    S   110_B      S   110_B     0.454     0    0.151   0.611     1.674   95.357   90.794
LGA    P   111_B      P   111_B     0.291     0    0.042   0.124     0.934  100.000   95.918
LGA    L   112_B      L   112_B     0.279     0    0.058   0.123     0.448  100.000  100.000
LGA    L   113_B      L   113_B     0.148     0    0.031   0.824     3.768  100.000   85.119
LGA    S   114_B      S   114_B     0.234     0    0.042   0.102     0.907  100.000   98.413
LGA    E   115_B      E   115_B     0.515     0    0.031   1.163     4.945   92.857   75.979
LGA    P   116_B      P   116_B     0.610     0    0.027   0.234     0.752   90.476   90.476
LGA    K   117_B      K   117_B     0.433     0    0.032   0.111     0.482  100.000  100.000
LGA    L   118_B      L   118_B     0.455     0    0.051   0.881     2.243  100.000   91.190
LGA    Y   119_B      Y   119_B     0.429     0    0.064   0.081     0.578   97.619   99.206
LGA    G   120_B      G   120_B     0.395     0    0.028   0.028     0.451  100.000  100.000
LGA    I   121_B      I   121_B     0.421     0    0.028   0.531     1.623   95.238   89.524
LGA    M   122_B      M   122_B     0.491     0    0.034   0.107     0.567  100.000   97.619
LGA    K   123_B      K   123_B     0.551     0    0.044   0.401     1.112   95.238   92.646
LGA    H   124_B      H   124_B     0.458     0    0.040   0.154     0.547   97.619   99.048
LGA    G   125_B      G   125_B     0.469     0    0.173   0.173     1.200   92.976   92.976
LGA    G   126_B      G   126_B     0.460     0    0.104   0.104     0.460  100.000  100.000
LGA    Q   127_B      Q   127_B     0.211     0    0.024   0.790     3.230  100.000   87.513
LGA    L   128_B      L   128_B     0.170     0    0.026   1.396     3.543  100.000   82.262
LGA    W   129_B      W   129_B     0.175     0    0.048   0.079     1.034  100.000   94.592
LGA    T   130_B      T   130_B     0.139     0    0.056   0.116     0.480  100.000  100.000
LGA    Y   131_B      Y   131_B     0.301     0    0.024   0.065     0.859  100.000   96.032
LGA    D   132_B      D   132_B     0.558     0    0.135   0.661     2.543   95.238   87.560
LGA    G   133_B      G   133_B     0.110     0    0.123   0.123     0.514   97.619   97.619
LGA    E   134_B      E   134_B     0.276     0    0.034   0.403     1.075  100.000   96.878
LGA    T   135_B      T   135_B     0.555     0    0.048   0.054     0.651   92.857   91.837
LGA    P   136_B      P   136_B     0.780     0    0.103   0.273     0.830   90.476   90.476
LGA    N   137_B      N   137_B     0.586     0    0.156   0.143     1.078   90.476   89.345
LGA    A   138_B      A   138_B     0.531     0    0.065   0.074     0.908   92.857   94.286
LGA    I   139_B      I   139_B     0.966     0    0.043   1.285     3.851   90.476   80.238
LGA    T   140_B      T   140_B     1.012     0    0.034   0.042     1.216   81.429   82.721
LGA    N   141_B      N   141_B     1.460     0    0.047   1.296     2.820   88.333   78.690
LGA    G   142_B      G   142_B     0.941     0    0.067   0.067     1.533   81.548   81.548
LGA    Y   143_B      Y   143_B     0.807     0    0.016   0.145     1.116   90.476   91.349
LGA    S   144_B      S   144_B     0.655     0    0.031   0.606     1.962   90.476   87.540
LGA    T   145_B      T   145_B     0.435     0    0.067   0.074     0.769   97.619   94.558
LGA    T   146_B      T   146_B     0.213     0    0.054   0.086     0.511  100.000   98.639
LGA    N   147_B      N   147_B     0.618     0    0.130   0.972     2.631   92.857   82.024
LGA    Y   148_B      Y   148_B     0.529     0    0.035   0.084     0.687   95.238   97.619
LGA    D   149_B      D   149_B     0.541     0    0.079   1.205     4.564   92.857   75.774
LGA    S   150_B      S   150_B     0.729     0    0.109   0.095     1.552   95.238   89.206
LGA    V   151_B      V   151_B     0.434     0    0.018   0.202     0.717  100.000   97.279
LGA    N   152_B      N   152_B     0.646     0    0.060   0.545     1.896   90.476   88.274
LGA    M   153_B      M   153_B     0.473     0    0.024   0.276     1.373   92.857   90.536
LGA    T   154_B      T   154_B     0.386     0    0.041   0.075     0.634   97.619   98.639
LGA    S   155_B      S   155_B     0.256     0    0.031   0.045     0.502   97.619   98.413
LGA    F   156_B      F   156_B     0.308     0    0.094   0.183     0.754   97.619   93.939
LGA    C   157_B      C   157_B     0.321     0    0.022   0.090     0.639  100.000   98.413
LGA    D   158_B      D   158_B     0.371     0    0.025   0.446     1.524  100.000   95.417
LGA    F   159_B      F   159_B     0.327     0    0.035   0.091     0.439  100.000  100.000
LGA    Y   160_B      Y   160_B     0.353     0    0.030   0.065     0.499  100.000  100.000
LGA    I   161_B      I   161_B     0.603     0    0.011   0.576     1.807   90.476   88.274
LGA    I   162_B      I   162_B     0.587     0    0.061   0.116     0.659   92.857   92.857
LGA    P   163_B      P   163_B     0.828     0    0.056   0.399     0.828   90.476   91.837
LGA    R   164_B      R   164_B     0.732     0    0.036   1.057     3.907   90.476   82.944
LGA    S   165_B      S   165_B     1.035     0    0.078   0.072     1.480   83.690   82.937
LGA    Q   166_B      Q   166_B     0.682     0    0.155   1.312     4.696   88.214   74.709
LGA    E   167_B      E   167_B     0.737     0    0.014   0.108     0.842   90.476   90.476
LGA    S   168_B      S   168_B     0.861     0    0.034   0.639     3.035   90.476   83.730
LGA    V   169_B      V   169_B     1.124     0    0.051   1.262     3.294   85.952   77.143
LGA    C   170_B      C   170_B     0.878     0    0.036   0.079     1.044   88.214   88.968
LGA    T   171_B      T   171_B     0.745     0    0.039   0.880     2.789   90.476   83.197
LGA    E   172_B      E   172_B     0.684     0    0.036   0.894     2.729   90.476   82.804
LGA    Y   173_B      Y   173_B     0.560     0    0.027   0.246     1.507   90.476   87.540
LGA    I   174_B      I   174_B     0.554     0    0.026   0.639     1.976   92.857   89.464
LGA    N   175_B      N   175_B     0.572     0    0.121   0.316     1.087   95.238   92.917
LGA    N   176_B      N   176_B     0.641     0    0.145   0.711     2.537   90.476   87.500
LGA    G   177_B      G   177_B     0.713     0    0.165   0.165     0.914   90.476   90.476

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      169     676    676  100.00    1322   1322  100.00               169
SUMMARY(RMSD_GDC):     1.980          1.936                  2.391           89.589   86.206

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  177  169    4.0    162    0.98    94.822    96.535    14.959

LGA_LOCAL      RMSD:   0.983  Number of atoms:  162  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.088  Number of assigned atoms:  169 
Std_ASGN_ATOMS RMSD:   1.980  Standard rmsd on all 169 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.755005 * X  +   0.334623 * Y  +  -0.563910 * Z  +  72.487457
  Y_new =  -0.638606 * X  +  -0.570425 * Y  +   0.516525 * Z  +  -9.740611
  Z_new =  -0.148827 * X  +   0.750095 * Y  +   0.644367 * Z  + -31.799562 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.439525  0.149382  0.861074   [DEG: -139.7745    8.5590   49.3359 ]
ZXZ: -2.312365  0.870602 -0.195867   [DEG: -132.4888   49.8818  -11.2224 ]
 
# END of job
