
#######################################################
#                                                     #
#                        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  153 ( 1254),  selected   76 , name one
# Molecule2: number of CA atoms   76 (  627),  selected   76 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       1_A - 76_A        1.73     1.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       1_A - 76_A        1.73     1.73
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72       1_A - 72_A        0.98     1.92
  LCS_AVERAGE:     91.52

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   76
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     M     1_A     M     1_A     72   76   76     10   51   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K     2_A     K     2_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I     3_A     I     3_A     72   76   76     33   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     H     4_A     H     4_A     72   76   76     35   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E     5_A     E     5_A     72   76   76     22   59   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F     6_A     F     6_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     G     7_A     G     7_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L     8_A     L     8_A     72   76   76     38   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     A     9_A     A     9_A     72   76   76     35   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    10_A     L    10_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F    11_A     F    11_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     G    12_A     G    12_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    13_A     E    13_A     72   76   76     35   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     H    14_A     H    14_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Y    15_A     Y    15_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     S    16_A     S    16_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     A    17_A     A    17_A     72   76   76     27   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    18_A     N    18_A     72   76   76     27   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Q    19_A     Q    19_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     F    20_A     F    20_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     A    21_A     A    21_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    22_A     K    22_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    23_A     I    23_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    24_A     L    24_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    25_A     I    25_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    26_A     N    26_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    27_A     K    27_A     72   76   76      7   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    28_A     D    28_A     72   76   76      7   57   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     G    29_A     G    29_A     72   76   76     37   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     S    30_A     S    30_A     72   76   76      7   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    31_A     N    31_A     72   76   76      7   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    32_A     V    32_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    33_A     D    33_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    34_A     R    34_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    35_A     K    35_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     T    36_A     T    36_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    37_A     I    37_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Q    38_A     Q    38_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    39_A     N    39_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     W    40_A     W    40_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    41_A     I    41_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    42_A     N    42_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    43_A     R    43_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    44_A     D    44_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Q    45_A     Q    45_A     72   76   76      4   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    46_A     D    46_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    47_A     L    47_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    48_A     N    48_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     D    49_A     D    49_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     W    50_A     W    50_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    51_A     V    51_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    52_A     I    52_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    53_A     V    53_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Q    54_A     Q    54_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    55_A     L    55_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    56_A     K    56_A     72   76   76     37   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    57_A     E    57_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    58_A     E    58_A     72   76   76     38   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    59_A     L    59_A     72   76   76     26   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    60_A     L    60_A     72   76   76     39   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    61_A     K    61_A     72   76   76     37   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     R    62_A     R    62_A     72   76   76     15   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     E    63_A     E    63_A     72   76   76     29   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     V    64_A     V    64_A     72   76   76     28   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     I    65_A     I    65_A     72   76   76     23   61   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    66_A     L    66_A     72   76   76     11   37   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     K    67_A     K    67_A     72   76   76     11   38   64   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    68_A     N    68_A     72   76   76     11   44   64   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    69_A     L    69_A     72   76   76     12   46   65   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    70_A     L    70_A     72   76   76     11   36   63   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     T    71_A     T    71_A     72   76   76     11   36   63   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     N    72_A     N    72_A     72   76   76     11   33   61   71   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     L    73_A     L    73_A     64   76   76     11   32   58   70   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     S    74_A     S    74_A     30   76   76     11   21   40   65   74   74   74   74   74   75   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     Q    75_A     Q    75_A      4   76   76      3    3    4    4    8   13   17   22   40   67   76   76   76   76   76   76   76   76   76   76 
LCS_GDT     A    76_A     A    76_A      4   76   76      3    3    4    7   11   16   21   35   68   75   76   76   76   76   76   76   76   76   76   76 
LCS_AVERAGE  LCS_A:  97.17  (  91.52  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     39     61     65     71     74     74     74     74     74     75     76     76     76     76     76     76     76     76     76     76 
GDT PERCENT_AT  51.32  80.26  85.53  93.42  97.37  97.37  97.37  97.37  97.37  98.68 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.53   0.60   0.92   1.12   1.12   1.12   1.12   1.12   1.48   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73
GDT RMS_ALL_AT   2.56   2.37   2.32   1.98   1.83   1.83   1.83   1.83   1.83   1.75   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73   1.73

# Checking swapping
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    58_A      E    58_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     0.948     0    0.021   1.055     3.545   88.214   78.988
LGA    K     2_A      K     2_A     0.484     0    0.028   0.681     1.557   95.238   88.624
LGA    I     3_A      I     3_A     1.104     0    0.040   0.111     1.692   83.690   79.345
LGA    H     4_A      H     4_A     1.404     0    0.025   0.076     1.737   81.429   76.286
LGA    E     5_A      E     5_A     1.780     0    0.028   1.084     6.686   75.000   52.857
LGA    F     6_A      F     6_A     0.982     0    0.019   0.086     1.220   83.690   92.338
LGA    G     7_A      G     7_A     1.136     0    0.027   0.027     1.272   81.429   81.429
LGA    L     8_A      L     8_A     1.615     0    0.047   1.214     3.197   75.000   68.214
LGA    A     9_A      A     9_A     1.746     0    0.025   0.029     1.797   72.857   72.857
LGA    L    10_A      L    10_A     1.245     0    0.070   1.242     2.884   79.286   77.500
LGA    F    11_A      F    11_A     1.152     0    0.053   0.050     1.218   81.429   81.429
LGA    G    12_A      G    12_A     1.469     0    0.027   0.027     1.469   81.429   81.429
LGA    E    13_A      E    13_A     1.740     0    0.025   0.578     3.102   72.857   65.026
LGA    H    14_A      H    14_A     1.300     0    0.140   1.067     3.867   86.190   76.429
LGA    Y    15_A      Y    15_A     1.052     0    0.049   0.105     1.440   83.690   82.183
LGA    S    16_A      S    16_A     0.686     0    0.038   0.066     0.801   90.476   92.063
LGA    A    17_A      A    17_A     0.761     0    0.021   0.020     0.949   90.476   90.476
LGA    N    18_A      N    18_A     0.442     0    0.027   0.824     3.291  100.000   85.774
LGA    Q    19_A      Q    19_A     0.346     0    0.046   0.890     2.287  100.000   92.011
LGA    F    20_A      F    20_A     0.391     0    0.030   0.076     1.245  100.000   92.338
LGA    A    21_A      A    21_A     0.336     0    0.043   0.044     0.574   97.619   98.095
LGA    K    22_A      K    22_A     0.778     0    0.032   0.978     2.251   90.476   82.646
LGA    I    23_A      I    23_A     0.600     0    0.063   0.144     0.697   92.857   91.667
LGA    L    24_A      L    24_A     0.534     0    0.021   1.229     2.897   90.476   84.286
LGA    I    25_A      I    25_A     0.748     0    0.073   1.627     4.682   90.476   76.667
LGA    N    26_A      N    26_A     0.415     0    0.042   0.141     1.475   95.238   90.595
LGA    K    27_A      K    27_A     0.713     0    0.071   0.361     2.003   90.476   83.651
LGA    D    28_A      D    28_A     1.026     0    0.047   0.659     3.106   85.952   78.690
LGA    G    29_A      G    29_A     0.632     0    0.092   0.092     1.172   88.214   88.214
LGA    S    30_A      S    30_A     1.225     0    0.039   0.252     1.777   85.952   83.016
LGA    N    31_A      N    31_A     1.223     0    0.019   0.446     3.411   83.690   70.595
LGA    V    32_A      V    32_A     0.399     0    0.015   1.332     2.634   97.619   87.483
LGA    D    33_A      D    33_A     0.356     0    0.016   0.209     1.104  100.000   95.298
LGA    R    34_A      R    34_A     0.423     0    0.019   1.257     6.909  100.000   72.641
LGA    K    35_A      K    35_A     0.588     0    0.029   0.236     1.011   92.857   92.646
LGA    T    36_A      T    36_A     0.595     0    0.019   0.155     0.685   90.476   90.476
LGA    I    37_A      I    37_A     0.450     0    0.007   0.092     0.512   97.619   98.810
LGA    Q    38_A      Q    38_A     0.434     0    0.042   1.271     4.896   95.238   75.397
LGA    N    39_A      N    39_A     0.739     0    0.033   0.926     3.982   90.476   74.524
LGA    W    40_A      W    40_A     0.688     0    0.061   0.084     0.814   90.476   90.476
LGA    I    41_A      I    41_A     0.855     0    0.013   0.191     1.266   90.476   89.345
LGA    N    42_A      N    42_A     1.014     0    0.013   0.161     1.326   83.690   82.560
LGA    R    43_A      R    43_A     1.243     0    0.119   0.885     5.238   88.214   65.195
LGA    D    44_A      D    44_A     0.510     0    0.024   0.157     0.788   95.238   92.857
LGA    Q    45_A      Q    45_A     0.675     0    0.038   0.962     3.843   95.238   75.450
LGA    D    46_A      D    46_A     0.356     0    0.008   0.064     0.785   97.619   95.238
LGA    L    47_A      L    47_A     0.314     0    0.009   1.245     2.924  100.000   87.857
LGA    N    48_A      N    48_A     0.399     0    0.049   1.057     3.218  100.000   83.810
LGA    D    49_A      D    49_A     0.666     0    0.017   0.594     2.012   90.476   88.452
LGA    W    50_A      W    50_A     0.931     0    0.042   0.910     6.833   90.476   55.374
LGA    V    51_A      V    51_A     0.462     0    0.026   1.340     2.787   92.857   84.762
LGA    I    52_A      I    52_A     0.621     0    0.011   0.120     0.926   90.476   90.476
LGA    V    53_A      V    53_A     0.811     0    0.012   1.240     2.796   90.476   82.041
LGA    Q    54_A      Q    54_A     0.807     0    0.021   0.240     1.160   90.476   89.471
LGA    L    55_A      L    55_A     0.738     0    0.010   1.229     2.899   88.214   81.964
LGA    K    56_A      K    56_A     1.268     0    0.034   0.948     4.351   81.429   72.275
LGA    E    57_A      E    57_A     1.101     0    0.059   0.712     4.194   85.952   73.016
LGA    E    58_A      E    58_A     0.515     0    0.029   0.696     2.407   90.476   80.106
LGA    L    59_A      L    59_A     0.993     0    0.039   1.244     3.856   85.952   76.786
LGA    L    60_A      L    60_A     1.070     0    0.012   1.245     3.155   81.429   77.560
LGA    K    61_A      K    61_A     0.801     0    0.032   0.825     4.913   90.476   70.476
LGA    R    62_A      R    62_A     0.802     0    0.090   1.136     3.571   90.476   81.299
LGA    E    63_A      E    63_A     0.664     0    0.038   0.680     3.799   92.857   79.524
LGA    V    64_A      V    64_A     0.429     0    0.022   1.334     2.833  100.000   88.844
LGA    I    65_A      I    65_A     0.498     0    0.037   0.175     0.897   92.857   91.667
LGA    L    66_A      L    66_A     1.243     0    0.035   0.657     3.354   81.548   76.548
LGA    K    67_A      K    67_A     1.559     0    0.055   0.810     3.905   75.000   69.630
LGA    N    68_A      N    68_A     1.335     0    0.041   0.944     3.878   79.286   70.476
LGA    L    69_A      L    69_A     0.970     0    0.044   0.054     1.503   81.548   83.750
LGA    L    70_A      L    70_A     1.773     0    0.048   1.259     3.187   72.976   68.095
LGA    T    71_A      T    71_A     1.987     0    0.118   1.179     3.692   70.833   66.327
LGA    N    72_A      N    72_A     2.353     0    0.126   0.160     2.960   60.952   63.869
LGA    L    73_A      L    73_A     2.690     0    0.239   1.203     4.527   50.833   56.131
LGA    S    74_A      S    74_A     3.688     0    0.611   0.564     5.023   40.952   44.048
LGA    Q    75_A      Q    75_A     9.133     0    0.507   1.028    14.183    4.762    2.116
LGA    A    76_A      A    76_A     8.827     0    0.235   0.242     9.818    5.714    4.667

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       76     304    304  100.00     627    627  100.00                76
SUMMARY(RMSD_GDC):     1.733          1.673                  2.249           84.853   78.362

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  153   76    4.0     74    1.12    92.763    96.093     6.057

LGA_LOCAL      RMSD:   1.122  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.830  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:   1.733  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.654288 * X  +   0.416532 * Y  +   0.631196 * Z  +  -1.512822
  Y_new =   0.741718 * X  +  -0.516265 * Y  +  -0.428165 * Z  +   6.092535
  Z_new =   0.147520 * X  +   0.748312 * Y  +  -0.646735 * Z  +  10.152092 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.847945 -0.148061  2.283510   [DEG:   48.5837   -8.4833  130.8355 ]
ZXZ:  0.974756  2.274093  0.194642   [DEG:   55.8494  130.2959   11.1521 ]
 
# END of job
