
#######################################################
#                                                     #
#                        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  145 ( 1174),  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        2.24     2.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       1_A - 74_A        1.92     2.30
  LCS_AVERAGE:     96.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    37      29_A - 65_A        0.98     3.05
  LONGEST_CONTINUOUS_SEGMENT:    37      30_A - 66_A        0.97     2.90
  LCS_AVERAGE:     37.12

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      4   74   76      4    4    7   22   54   62   66   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K     2_A     K     2_A     16   74   76      4   26   48   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I     3_A     I     3_A     19   74   76      9   27   49   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     H     4_A     H     4_A     19   74   76      9   12   26   50   63   65   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     E     5_A     E     5_A     19   74   76      9   12   26   55   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     F     6_A     F     6_A     19   74   76      9   32   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     G     7_A     G     7_A     19   74   76      9   27   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L     8_A     L     8_A     19   74   76      9   27   48   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     A     9_A     A     9_A     19   74   76      9   36   49   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    10_A     L    10_A     19   74   76      9   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     F    11_A     F    11_A     19   74   76      9   14   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    12_A     G    12_A     19   74   76      7   23   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    13_A     E    13_A     19   74   76      6   19   48   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     H    14_A     H    14_A     19   74   76      6   14   43   57   63   65   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     Y    15_A     Y    15_A     19   74   76     14   33   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    16_A     S    16_A     19   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     A    17_A     A    17_A     19   74   76     15   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    18_A     N    18_A     19   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    19_A     Q    19_A     19   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     F    20_A     F    20_A     19   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     A    21_A     A    21_A     19   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    22_A     K    22_A     18   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    23_A     I    23_A     18   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    24_A     L    24_A     15   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    25_A     I    25_A     11   74   76      5   28   44   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    26_A     N    26_A     10   74   76      6    8   15   39   51   64   70   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    27_A     K    27_A      9   74   76      6    8   12   19   43   54   66   69   73   74   74   74   75   76   76   76   76   76   76   76 
LCS_GDT     D    28_A     D    28_A     36   74   76      6   15   37   51   59   66   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     G    29_A     G    29_A     37   74   76      6    8   35   50   61   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    30_A     S    30_A     37   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    31_A     N    31_A     37   74   76      6   29   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    32_A     V    32_A     37   74   76      5   29   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    33_A     D    33_A     37   74   76     14   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    34_A     R    34_A     37   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    35_A     K    35_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     T    36_A     T    36_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    37_A     I    37_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    38_A     Q    38_A     37   74   76     13   36   48   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    39_A     N    39_A     37   74   76     10   36   48   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     W    40_A     W    40_A     37   74   76     11   31   45   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    41_A     I    41_A     37   74   76     11   31   45   54   62   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    42_A     N    42_A     37   74   76     11   30   45   52   62   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    43_A     R    43_A     37   74   76     11   28   44   52   62   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    44_A     D    44_A     37   74   76     11   28   44   52   62   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    45_A     Q    45_A     37   74   76     11   28   45   52   62   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    46_A     D    46_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    47_A     L    47_A     37   74   76     14   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    48_A     N    48_A     37   74   76     12   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     D    49_A     D    49_A     37   74   76     12   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     W    50_A     W    50_A     37   74   76     10   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    51_A     V    51_A     37   74   76     14   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    52_A     I    52_A     37   74   76     15   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    53_A     V    53_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    54_A     Q    54_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    55_A     L    55_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    56_A     K    56_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    57_A     E    57_A     37   74   76     15   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    58_A     E    58_A     37   74   76     15   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    59_A     L    59_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    60_A     L    60_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    61_A     K    61_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     R    62_A     R    62_A     37   74   76     16   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     E    63_A     E    63_A     37   74   76     15   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     V    64_A     V    64_A     37   74   76     13   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     I    65_A     I    65_A     37   74   76     14   36   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    66_A     L    66_A     37   74   76     11   31   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     K    67_A     K    67_A     29   74   76      9   29   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    68_A     N    68_A     29   74   76      9   33   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    69_A     L    69_A     29   74   76     11   33   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    70_A     L    70_A     29   74   76     11   29   48   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     T    71_A     T    71_A     29   74   76     11   29   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     N    72_A     N    72_A     29   74   76     11   29   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     L    73_A     L    73_A     29   74   76     11   29   50   58   63   67   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     S    74_A     S    74_A     29   74   76     11   22   48   58   62   66   71   73   73   74   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     Q    75_A     Q    75_A      4   61   76      3    3    4    4    8   37   49   57   65   69   74   75   75   76   76   76   76   76   76   76 
LCS_GDT     A    76_A     A    76_A      4   47   76      3    3    4   22   30   37   49   67   67   72   74   75   75   76   76   76   76   76   76   76 
LCS_AVERAGE  LCS_A:  77.93  (  37.12   96.68  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     16     36     50     58     63     67     71     73     73     74     74     75     75     76     76     76     76     76     76     76 
GDT PERCENT_AT  21.05  47.37  65.79  76.32  82.89  88.16  93.42  96.05  96.05  97.37  97.37  98.68  98.68 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.63   1.00   1.14   1.32   1.52   1.68   1.81   1.81   1.92   1.92   2.13   2.09   2.24   2.24   2.24   2.24   2.24   2.24   2.24
GDT RMS_ALL_AT   2.71   2.52   2.29   2.29   2.30   2.32   2.29   2.29   2.29   2.30   2.30   2.25   2.26   2.24   2.24   2.24   2.24   2.24   2.24   2.24

# Checking swapping
#   possible swapping detected:  F     6_A      F     6_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  D    28_A      D    28_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     4.574     0    0.027   1.118     8.017   39.405   30.119
LGA    K     2_A      K     2_A     2.154     0    0.047   0.926     5.290   59.167   49.153
LGA    I     3_A      I     3_A     1.663     0    0.120   0.936     3.436   70.952   67.083
LGA    H     4_A      H     4_A     3.133     0    0.048   0.266     5.380   55.357   41.714
LGA    E     5_A      E     5_A     2.955     0    0.024   1.135     5.785   59.167   47.302
LGA    F     6_A      F     6_A     1.397     0    0.026   0.136     2.192   83.810   76.147
LGA    G     7_A      G     7_A     1.120     0    0.063   0.063     1.222   83.690   83.690
LGA    L     8_A      L     8_A     1.750     0    0.038   0.210     3.692   79.405   66.607
LGA    A     9_A      A     9_A     1.401     0    0.028   0.031     1.941   81.429   79.714
LGA    L    10_A      L    10_A     0.890     0    0.120   1.403     2.708   83.810   77.679
LGA    F    11_A      F    11_A     1.501     0    0.214   1.257     5.890   71.071   58.268
LGA    G    12_A      G    12_A     1.532     0    0.046   0.046     2.325   72.976   72.976
LGA    E    13_A      E    13_A     2.509     0    0.155   1.364     7.611   57.262   38.095
LGA    H    14_A      H    14_A     3.058     0    0.133   1.142     6.667   59.167   39.571
LGA    Y    15_A      Y    15_A     1.009     0    0.101   0.959     5.947   81.548   60.317
LGA    S    16_A      S    16_A     0.485     0    0.051   0.127     0.753   95.238   95.238
LGA    A    17_A      A    17_A     0.526     0    0.033   0.036     0.589   92.857   92.381
LGA    N    18_A      N    18_A     0.612     0    0.075   0.773     3.435   90.476   78.988
LGA    Q    19_A      Q    19_A     0.620     0    0.043   0.696     4.220   90.476   73.810
LGA    F    20_A      F    20_A     0.762     0    0.068   0.985     4.391   90.476   70.996
LGA    A    21_A      A    21_A     0.871     0    0.058   0.064     1.026   90.476   88.667
LGA    K    22_A      K    22_A     0.902     0    0.018   0.838     4.785   90.476   74.021
LGA    I    23_A      I    23_A     1.084     0    0.225   1.333     2.713   88.214   76.667
LGA    L    24_A      L    24_A     0.765     0    0.289   1.075     2.824   88.214   81.012
LGA    I    25_A      I    25_A     1.995     0    0.078   1.371     7.855   58.214   49.524
LGA    N    26_A      N    26_A     4.067     0    0.037   0.634     7.249   42.143   31.786
LGA    K    27_A      K    27_A     6.110     0    0.093   1.146    10.059   22.738   14.709
LGA    D    28_A      D    28_A     3.766     0    0.036   1.036     5.909   43.690   43.333
LGA    G    29_A      G    29_A     3.367     0    0.063   0.063     3.407   55.476   55.476
LGA    S    30_A      S    30_A     1.113     0    0.120   0.693     2.152   83.690   78.730
LGA    N    31_A      N    31_A     1.612     0    0.031   1.037     5.278   72.857   61.310
LGA    V    32_A      V    32_A     1.562     0    0.061   0.122     1.803   75.000   74.082
LGA    D    33_A      D    33_A     1.013     0    0.094   0.642     2.563   83.690   77.500
LGA    R    34_A      R    34_A     1.379     0    0.035   1.583     7.670   81.429   56.580
LGA    K    35_A      K    35_A     1.226     0    0.061   0.279     1.952   81.429   77.619
LGA    T    36_A      T    36_A     0.800     0    0.005   0.173     1.100   88.214   90.544
LGA    I    37_A      I    37_A     1.068     0    0.058   0.129     1.628   79.286   80.357
LGA    Q    38_A      Q    38_A     1.699     0    0.016   0.995     3.553   72.857   66.931
LGA    N    39_A      N    39_A     1.535     0    0.020   0.907     3.317   72.976   67.262
LGA    W    40_A      W    40_A     2.008     0    0.015   0.152     2.529   64.881   70.578
LGA    I    41_A      I    41_A     2.564     0    0.022   0.241     3.009   59.048   59.107
LGA    N    42_A      N    42_A     3.106     0    0.057   0.105     3.753   50.119   52.738
LGA    R    43_A      R    43_A     3.289     0    0.018   0.960     5.779   50.119   43.333
LGA    D    44_A      D    44_A     3.371     0    0.052   0.764     3.904   50.000   46.667
LGA    Q    45_A      Q    45_A     2.832     0    0.423   1.091     4.883   52.143   48.942
LGA    D    46_A      D    46_A     0.857     0    0.295   0.370     3.010   86.190   75.714
LGA    L    47_A      L    47_A     0.357     0    0.059   1.347     2.839   92.857   84.345
LGA    N    48_A      N    48_A     0.775     0    0.037   0.862     2.183   90.476   86.131
LGA    D    49_A      D    49_A     0.570     0    0.017   0.607     2.168   90.476   86.131
LGA    W    50_A      W    50_A     0.936     0    0.037   1.580     6.338   88.214   64.252
LGA    V    51_A      V    51_A     0.803     0    0.028   0.152     1.275   90.476   89.184
LGA    I    52_A      I    52_A     0.477     0    0.039   0.143     0.650   92.857   94.048
LGA    V    53_A      V    53_A     0.647     0    0.015   0.310     1.051   90.476   89.184
LGA    Q    54_A      Q    54_A     0.823     0    0.005   0.862     4.479   90.476   77.143
LGA    L    55_A      L    55_A     0.743     0    0.021   0.230     1.456   90.476   89.345
LGA    K    56_A      K    56_A     0.903     0    0.009   0.989     3.931   90.476   80.741
LGA    E    57_A      E    57_A     0.913     0    0.028   0.747     3.959   90.476   77.460
LGA    E    58_A      E    58_A     0.324     0    0.022   0.304     0.849  100.000   97.884
LGA    L    59_A      L    59_A     0.629     0    0.038   0.153     1.331   92.857   88.274
LGA    L    60_A      L    60_A     0.815     0    0.017   0.108     0.956   90.476   91.667
LGA    K    61_A      K    61_A     0.801     0    0.022   0.495     1.680   90.476   86.508
LGA    R    62_A      R    62_A     0.861     0    0.021   1.380     8.217   90.476   55.411
LGA    E    63_A      E    63_A     0.583     0    0.017   0.538     2.760   90.476   82.804
LGA    V    64_A      V    64_A     0.507     0    0.016   0.054     0.578   90.476   94.558
LGA    I    65_A      I    65_A     0.707     0    0.018   0.132     1.409   90.476   88.214
LGA    L    66_A      L    66_A     1.376     0    0.034   1.248     2.443   79.286   77.262
LGA    K    67_A      K    67_A     1.609     0    0.054   0.857     4.595   77.143   67.513
LGA    N    68_A      N    68_A     1.068     0    0.012   0.923     3.616   83.690   73.810
LGA    L    69_A      L    69_A     0.903     0    0.088   0.104     2.539   83.810   77.440
LGA    L    70_A      L    70_A     1.896     0    0.058   0.180     2.305   72.976   68.869
LGA    T    71_A      T    71_A     2.016     0    0.145   1.172     3.574   70.833   65.238
LGA    N    72_A      N    72_A     1.948     0    0.145   0.203     2.560   66.905   69.881
LGA    L    73_A      L    73_A     2.091     0    0.269   0.319     3.751   59.524   63.214
LGA    S    74_A      S    74_A     2.994     0    0.600   0.753     4.213   50.595   52.778
LGA    Q    75_A      Q    75_A     8.114     0    0.541   1.018    13.348   10.595    4.868
LGA    A    76_A      A    76_A     7.553     0    0.248   0.257     8.674   13.214   11.143

# 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):     2.244          2.189                  2.952           74.781   68.136

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  145   76    4.0     73    1.81    79.934    87.869     3.829

LGA_LOCAL      RMSD:   1.807  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.290  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:   2.244  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.121528 * X  +  -0.567864 * Y  +   0.814102 * Z  +  12.392185
  Y_new =   0.427704 * X  +   0.710173 * Y  +   0.559217 * Z  +   8.019075
  Z_new =  -0.895712 * X  +   0.416155 * Y  +   0.156572 * Z  +  29.435081 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.847640  1.110030  1.210944   [DEG:  105.8620   63.6000   69.3820 ]
ZXZ:  2.172685  1.413578 -1.135861   [DEG:  124.4857   80.9920  -65.0800 ]
 
# END of job
