*HEADER    TRANSCRIPTION                           16-DEC-09   2KRC              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF BACILLUS               
*TITLE    2 SUBTILIS DELTA SUBUNIT OF RNA POLYMERASE                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA-DIRECTED RNA POLYMERASE SUBUNIT DELTA;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 2-92;                                             
*COMPND   5 SYNONYM: N DELTA, RNAP DELTA FACTOR;                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_TAXID: 1423;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET22B                                     
*KEYWDS    RNA POLYMERASE, DELTA SUBUNIT, GRAM-POSITIVE BACTERIA, DNA-           
*KEYWDS   2 DIRECTED RNA POLYMERASE, NUCLEOTIDYLTRANSFERASE,                     
*KEYWDS   3 TRANSCRIPTION, TRANSFERASE                                           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    V.MOTACKOVA, H.SANDEROVA, L.ZIDEK, J.NOVACEK, P.PADRTA,               
*AUTHOR   2 A.SVENKOVA, J.JONAK, L.KRASNY, V.SKLENAR                             
*REVDAT   1   07-APR-10 2KRC    0                                                

! 1. K 4 Phi -71.62 +/- 27.30 (-98.92 to -44.32)

assign (resid   3 and name  C) (resid   4 and name  N) 
       (resid   4 and name CA) (resid   4 and name  C) 1.0   -71.62    27.30 2

! 2. S 7 Phi -90.70 +/- 57.32 (-148.02 to -33.38)

assign (resid   6 and name  C) (resid   7 and name  N) 
       (resid   7 and name CA) (resid   7 and name  C) 1.0   -90.70    57.32 2

! 3. Q 8 Phi -60.71 +/- 4.74 (-65.45 to -55.97)

assign (resid   7 and name  C) (resid   8 and name  N) 
       (resid   8 and name CA) (resid   8 and name  C) 1.0   -60.71     4.74 2

! 4. E 9 Phi -61.34 +/- 10.16 (-71.50 to -51.18)

assign (resid   8 and name  C) (resid   9 and name  N) 
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -61.34    10.16 2

! 5. E 10 Phi -65.29 +/- 12.92 (-78.21 to -52.37)

assign (resid   9 and name  C) (resid  10 and name  N) 
       (resid  10 and name CA) (resid  10 and name  C) 1.0   -65.29    12.92 2

! 6. L 11 Phi -61.86 +/- 8.84 (-70.70 to -53.02)

assign (resid  10 and name  C) (resid  11 and name  N) 
       (resid  11 and name CA) (resid  11 and name  C) 1.0   -61.86     8.84 2

! 7. K 12 Phi -65.01 +/- 22.68 (-87.69 to -42.33)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0   -65.01    22.68 2

! 8. E 13 Phi -96.14 +/- 25.46 (-121.60 to -70.68)

assign (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (resid  13 and name  C) 1.0   -96.14    25.46 2

! 9. M 14 Phi -83.19 +/- 39.04 (-122.23 to -44.15)

assign (resid  13 and name  C) (resid  14 and name  N) 
       (resid  14 and name CA) (resid  14 and name  C) 1.0   -83.19    39.04 2

! 10. A 15 Phi -89.32 +/- 59.44 (-148.76 to -29.88)

assign (resid  14 and name  C) (resid  15 and name  N) 
       (resid  15 and name CA) (resid  15 and name  C) 1.0   -89.32    59.44 2

! 11. L 16 Phi -60.17 +/- 9.70 (-69.87 to -50.47)

assign (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (resid  16 and name  C) 1.0   -60.17     9.70 2

! 12. V 17 Phi -63.48 +/- 9.20 (-72.68 to -54.28)

assign (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (resid  17 and name  C) 1.0   -63.48     9.20 2

! 13. E 18 Phi -67.96 +/- 12.24 (-80.20 to -55.72)

assign (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (resid  18 and name  C) 1.0   -67.96    12.24 2

! 14. I 19 Phi -62.86 +/- 8.40 (-71.26 to -54.46)

assign (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (resid  19 and name  C) 1.0   -62.86     8.40 2

! 15. A 20 Phi -61.05 +/- 7.92 (-68.97 to -53.13)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0   -61.05     7.92 2

! 16. H 21 Phi -61.49 +/- 7.78 (-69.27 to -53.71)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -61.49     7.78 2

! 17. E 22 Phi -64.00 +/- 10.00 (-74.00 to -54.00)

assign (resid  21 and name  C) (resid  22 and name  N) 
       (resid  22 and name CA) (resid  22 and name  C) 1.0   -64.00    10.00 2

! 18. L 23 Phi -66.19 +/- 9.80 (-75.99 to -56.39)

assign (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (resid  23 and name  C) 1.0   -66.19     9.80 2

! 19. F 24 Phi -63.32 +/- 13.06 (-76.38 to -50.26)

assign (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (resid  24 and name  C) 1.0   -63.32    13.06 2

! 20. E 25 Phi -65.70 +/- 6.80 (-72.50 to -58.90)

assign (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (resid  25 and name  C) 1.0   -65.70     6.80 2

! 21. E 26 Phi -70.59 +/- 11.00 (-81.59 to -59.59)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0   -70.59    11.00 2

! 22. H 27 Phi -76.07 +/- 42.58 (-118.65 to -33.49)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0   -76.07    42.58 2

! 23. K 29 Phi -118.32 +/- 41.76 (-160.08 to -76.56)

assign (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (resid  29 and name  C) 1.0  -118.32    41.76 2

! 24. P 30 Phi -77.02 +/- 37.74 (-114.76 to -39.28)

assign (resid  29 and name  C) (resid  30 and name  N) 
       (resid  30 and name CA) (resid  30 and name  C) 1.0   -77.02    37.74 2

! 25. V 31 Phi -135.01 +/- 23.06 (-158.07 to -111.95)

assign (resid  30 and name  C) (resid  31 and name  N) 
       (resid  31 and name CA) (resid  31 and name  C) 1.0  -135.01    23.06 2

! 26. P 32 Phi -73.13 +/- 42.28 (-115.41 to -30.85)

assign (resid  31 and name  C) (resid  32 and name  N) 
       (resid  32 and name CA) (resid  32 and name  C) 1.0   -73.13    42.28 2

! 27. F 33 Phi -49.39 +/- 19.34 (-68.73 to -30.05)

assign (resid  32 and name  C) (resid  33 and name  N) 
       (resid  33 and name CA) (resid  33 and name  C) 1.0   -49.39    19.34 2

! 28. Q 34 Phi -58.64 +/- 13.12 (-71.76 to -45.52)

assign (resid  33 and name  C) (resid  34 and name  N) 
       (resid  34 and name CA) (resid  34 and name  C) 1.0   -58.64    13.12 2

! 29. E 35 Phi -65.47 +/- 16.12 (-81.59 to -49.35)

assign (resid  34 and name  C) (resid  35 and name  N) 
       (resid  35 and name CA) (resid  35 and name  C) 1.0   -65.47    16.12 2

! 30. L 36 Phi -61.88 +/- 6.40 (-68.28 to -55.48)

assign (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (resid  36 and name  C) 1.0   -61.88     6.40 2

! 31. L 37 Phi -62.01 +/- 11.38 (-73.39 to -50.63)

assign (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (resid  37 and name  C) 1.0   -62.01    11.38 2

! 32. N 38 Phi -65.97 +/- 11.10 (-77.07 to -54.87)

assign (resid  37 and name  C) (resid  38 and name  N) 
       (resid  38 and name CA) (resid  38 and name  C) 1.0   -65.97    11.10 2

! 33. E 39 Phi -66.74 +/- 18.24 (-84.98 to -48.50)

assign (resid  38 and name  C) (resid  39 and name  N) 
       (resid  39 and name CA) (resid  39 and name  C) 1.0   -66.74    18.24 2

! 34. I 40 Phi -63.98 +/- 6.88 (-70.86 to -57.10)

assign (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0   -63.98     6.88 2

! 35. A 41 Phi -60.16 +/- 7.76 (-67.92 to -52.40)

assign (resid  40 and name  C) (resid  41 and name  N) 
       (resid  41 and name CA) (resid  41 and name  C) 1.0   -60.16     7.76 2

! 36. S 42 Phi -64.72 +/- 9.54 (-74.26 to -55.18)

assign (resid  41 and name  C) (resid  42 and name  N) 
       (resid  42 and name CA) (resid  42 and name  C) 1.0   -64.72     9.54 2

! 37. L 43 Phi -62.21 +/- 5.42 (-67.63 to -56.79)

assign (resid  42 and name  C) (resid  43 and name  N) 
       (resid  43 and name CA) (resid  43 and name  C) 1.0   -62.21     5.42 2

! 38. V 46 Phi -131.61 +/- 12.08 (-143.69 to -119.53)

assign (resid  45 and name  C) (resid  46 and name  N) 
       (resid  46 and name CA) (resid  46 and name  C) 1.0  -131.61    12.08 2

! 39. K 47 Phi -91.93 +/- 55.68 (-147.61 to -36.25)

assign (resid  46 and name  C) (resid  47 and name  N) 
       (resid  47 and name CA) (resid  47 and name  C) 1.0   -91.93    55.68 2

! 40. K 48 Phi -57.90 +/- 12.72 (-70.62 to -45.18)

assign (resid  47 and name  C) (resid  48 and name  N) 
       (resid  48 and name CA) (resid  48 and name  C) 1.0   -57.90    12.72 2

! 41. E 49 Phi -61.54 +/- 8.48 (-70.02 to -53.06)

assign (resid  48 and name  C) (resid  49 and name  N) 
       (resid  49 and name CA) (resid  49 and name  C) 1.0   -61.54     8.48 2

! 42. E 50 Phi -74.00 +/- 26.72 (-100.72 to -47.28)

assign (resid  49 and name  C) (resid  50 and name  N) 
       (resid  50 and name CA) (resid  50 and name  C) 1.0   -74.00    26.72 2

! 43. L 51 Phi -74.32 +/- 30.30 (-104.62 to -44.02)

assign (resid  50 and name  C) (resid  51 and name  N) 
       (resid  51 and name CA) (resid  51 and name  C) 1.0   -74.32    30.30 2

! 45. D 53 Phi -65.95 +/- 19.64 (-85.59 to -46.31)

assign (resid  52 and name  C) (resid  53 and name  N) 
       (resid  53 and name CA) (resid  53 and name  C) 1.0   -65.95    19.64 2

! 46. R 54 Phi -65.38 +/- 6.20 (-71.58 to -59.18)

assign (resid  53 and name  C) (resid  54 and name  N) 
       (resid  54 and name CA) (resid  54 and name  C) 1.0   -65.38     6.20 2

! 47. I 55 Phi -60.35 +/- 18.28 (-78.63 to -42.07)

assign (resid  54 and name  C) (resid  55 and name  N) 
       (resid  55 and name CA) (resid  55 and name  C) 1.0   -60.35    18.28 2

! 48. A 56 Phi -62.83 +/- 14.06 (-76.89 to -48.77)

assign (resid  55 and name  C) (resid  56 and name  N) 
       (resid  56 and name CA) (resid  56 and name  C) 1.0   -62.83    14.06 2

! 49. Q 57 Phi -63.16 +/- 13.66 (-76.82 to -49.50)

assign (resid  56 and name  C) (resid  57 and name  N) 
       (resid  57 and name CA) (resid  57 and name  C) 1.0   -63.16    13.66 2

! 50. F 58 Phi -87.12 +/- 43.98 (-131.10 to -43.14)

assign (resid  57 and name  C) (resid  58 and name  N) 
       (resid  58 and name CA) (resid  58 and name  C) 1.0   -87.12    43.98 2

! 51. Y 59 Phi -61.99 +/- 8.34 (-70.33 to -53.65)

assign (resid  58 and name  C) (resid  59 and name  N) 
       (resid  59 and name CA) (resid  59 and name  C) 1.0   -61.99     8.34 2

! 52. T 60 Phi -69.44 +/- 16.20 (-85.64 to -53.24)

assign (resid  59 and name  C) (resid  60 and name  N) 
       (resid  60 and name CA) (resid  60 and name  C) 1.0   -69.44    16.20 2

! 53. D 61 Phi -63.51 +/- 14.70 (-78.21 to -48.81)

assign (resid  60 and name  C) (resid  61 and name  N) 
       (resid  61 and name CA) (resid  61 and name  C) 1.0   -63.51    14.70 2

! 54. L 62 Phi -66.03 +/- 19.38 (-85.41 to -46.65)

assign (resid  61 and name  C) (resid  62 and name  N) 
       (resid  62 and name CA) (resid  62 and name  C) 1.0   -66.03    19.38 2

! 55. N 63 Phi -76.66 +/- 26.14 (-102.80 to -50.52)

assign (resid  62 and name  C) (resid  63 and name  N) 
       (resid  63 and name CA) (resid  63 and name  C) 1.0   -76.66    26.14 2

! 56. L 69 Phi -132.09 +/- 40.94 (-173.03 to -91.15)

assign (resid  68 and name  C) (resid  69 and name  N) 
       (resid  69 and name CA) (resid  69 and name  C) 1.0  -132.09    40.94 2

! 57. A 70 Phi -88.94 +/- 30.44 (-119.38 to -58.50)

assign (resid  69 and name  C) (resid  70 and name  N) 
       (resid  70 and name CA) (resid  70 and name  C) 1.0   -88.94    30.44 2

! 58. S 72 Phi -69.32 +/- 31.16 (-100.48 to -38.16)

assign (resid  71 and name  C) (resid  72 and name  N) 
       (resid  72 and name CA) (resid  72 and name  C) 1.0   -69.32    31.16 2

! 59. W 76 Phi -136.18 +/- 37.72 (-173.90 to -98.46)

assign (resid  75 and name  C) (resid  76 and name  N) 
       (resid  76 and name CA) (resid  76 and name  C) 1.0  -136.18    37.72 2

! 60. R 79 Phi -59.51 +/- 15.10 (-74.61 to -44.41)

assign (resid  78 and name  C) (resid  79 and name  N) 
       (resid  79 and name CA) (resid  79 and name  C) 1.0   -59.51    15.10 2

! 61. S 80 Phi -72.74 +/- 31.68 (-104.42 to -41.06)

assign (resid  79 and name  C) (resid  80 and name  N) 
       (resid  80 and name CA) (resid  80 and name  C) 1.0   -72.74    31.68 2

! 62. P 83 Phi -64.43 +/- 18.12 (-82.55 to -46.31)

assign (resid  82 and name  C) (resid  83 and name  N) 
       (resid  83 and name CA) (resid  83 and name  C) 1.0   -64.43    18.12 2

! 63. E 90 Phi -73.77 +/- 36.24 (-110.01 to -37.53)

assign (resid  89 and name  C) (resid  90 and name  N) 
       (resid  90 and name CA) (resid  90 and name  C) 1.0   -73.77    36.24 2

! 64. T 91 Phi -65.47 +/- 17.98 (-83.45 to -47.49)

assign (resid  90 and name  C) (resid  91 and name  N) 
       (resid  91 and name CA) (resid  91 and name  C) 1.0   -65.47    17.98 2

! 65. Q 92 Phi -77.57 +/- 51.24 (-128.81 to -26.33)

assign (resid  91 and name  C) (resid  92 and name  N) 
       (resid  92 and name CA) (resid  92 and name  C) 1.0   -77.57    51.24 2

! 66. H 95 Phi -82.45 +/- 61.90 (-144.35 to -20.55)

assign (resid  94 and name  C) (resid  95 and name  N) 
       (resid  95 and name CA) (resid  95 and name  C) 1.0   -82.45    61.90 2

! 67. H 96 Phi -64.83 +/- 24.14 (-88.97 to -40.69)

assign (resid  95 and name  C) (resid  96 and name  N) 
       (resid  96 and name CA) (resid  96 and name  C) 1.0   -64.83    24.14 2


! 68. K 4 Psi -18.93 +/- 33.04 (-51.97 to 14.11)

assign (resid   4 and name  N) (resid   4 and name CA) 
       (resid   4 and name  C) (resid   5 and name  N) 1.0   -18.93    33.04 2

! 69. S 7 Psi 164.89 +/- 9.92 (154.97 to 174.81)

assign (resid   7 and name  N) (resid   7 and name CA) 
       (resid   7 and name  C) (resid   8 and name  N) 1.0   164.89     9.92 2

! 70. Q 8 Psi -36.96 +/- 14.36 (-51.32 to -22.60)

assign (resid   8 and name  N) (resid   8 and name CA) 
       (resid   8 and name  C) (resid   9 and name  N) 1.0   -36.96    14.36 2

! 71. E 9 Psi -40.33 +/- 13.60 (-53.93 to -26.73)

assign (resid   9 and name  N) (resid   9 and name CA) 
       (resid   9 and name  C) (resid  10 and name  N) 1.0   -40.33    13.60 2

! 72. E 10 Psi -40.88 +/- 13.24 (-54.12 to -27.64)

assign (resid  10 and name  N) (resid  10 and name CA) 
       (resid  10 and name  C) (resid  11 and name  N) 1.0   -40.88    13.24 2

! 73. L 11 Psi -39.55 +/- 11.92 (-51.47 to -27.63)

assign (resid  11 and name  N) (resid  11 and name CA) 
       (resid  11 and name  C) (resid  12 and name  N) 1.0   -39.55    11.92 2

! 74. K 12 Psi -23.41 +/- 19.76 (-43.17 to -3.65)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   -23.41    19.76 2

! 75. E 13 Psi -5.34 +/- 40.10 (-45.44 to 34.76)

assign (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (resid  14 and name  N) 1.0    -5.34    40.10 2

! 76. M 14 Psi 140.63 +/- 22.12 (118.51 to 162.75)

assign (resid  14 and name  N) (resid  14 and name CA) 
       (resid  14 and name  C) (resid  15 and name  N) 1.0   140.63    22.12 2

! 77. A 15 Psi 156.40 +/- 24.86 (131.54 to 181.26)

assign (resid  15 and name  N) (resid  15 and name CA) 
       (resid  15 and name  C) (resid  16 and name  N) 1.0   156.40    24.86 2

! 78. L 16 Psi -33.04 +/- 20.98 (-54.02 to -12.06)

assign (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (resid  17 and name  N) 1.0   -33.04    20.98 2

! 79. V 17 Psi -34.68 +/- 14.84 (-49.52 to -19.84)

assign (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (resid  18 and name  N) 1.0   -34.68    14.84 2

! 80. E 18 Psi -37.00 +/- 22.42 (-59.42 to -14.58)

assign (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (resid  19 and name  N) 1.0   -37.00    22.42 2

! 81. I 19 Psi -43.65 +/- 10.90 (-54.55 to -32.75)

assign (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (resid  20 and name  N) 1.0   -43.65    10.90 2

! 82. A 20 Psi -44.10 +/- 8.86 (-52.96 to -35.24)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   -44.10     8.86 2

! 83. H 21 Psi -44.08 +/- 8.56 (-52.64 to -35.52)

assign (resid  21 and name  N) (resid  21 and name CA) 
       (resid  21 and name  C) (resid  22 and name  N) 1.0   -44.08     8.56 2

! 84. E 22 Psi -36.00 +/- 18.00 (-54.00 to -18.00)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   -36.00    18.00 2

! 85. L 23 Psi -38.79 +/- 11.94 (-50.73 to -26.85)

assign (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (resid  24 and name  N) 1.0   -38.79    11.94 2

! 86. F 24 Psi -40.97 +/- 29.38 (-70.35 to -11.59)

assign (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (resid  25 and name  N) 1.0   -40.97    29.38 2

! 87. E 25 Psi -39.63 +/- 18.04 (-57.67 to -21.59)

assign (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (resid  26 and name  N) 1.0   -39.63    18.04 2

! 88. E 26 Psi -35.07 +/- 23.68 (-58.75 to -11.39)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   -35.07    23.68 2

! 89. H 27 Psi -19.85 +/- 35.46 (-55.31 to 15.61)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   -19.85    35.46 2

! 90. K 29 Psi 121.55 +/- 62.18 (59.37 to 183.73)

assign (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (resid  30 and name  N) 1.0   121.55    62.18 2

! 91. P 30 Psi 141.39 +/- 29.68 (111.71 to 171.07)

assign (resid  30 and name  N) (resid  30 and name CA) 
       (resid  30 and name  C) (resid  31 and name  N) 1.0   141.39    29.68 2

! 92. V 31 Psi 155.87 +/- 17.84 (138.03 to 173.71)

assign (resid  31 and name  N) (resid  31 and name CA) 
       (resid  31 and name  C) (resid  32 and name  N) 1.0   155.87    17.84 2

! 93. P 32 Psi 132.52 +/- 23.76 (108.76 to 156.28)

assign (resid  32 and name  N) (resid  32 and name CA) 
       (resid  32 and name  C) (resid  33 and name  N) 1.0   132.52    23.76 2

! 94. F 33 Psi -48.80 +/- 19.84 (-68.64 to -28.96)

assign (resid  33 and name  N) (resid  33 and name CA) 
       (resid  33 and name  C) (resid  34 and name  N) 1.0   -48.80    19.84 2

! 95. Q 34 Psi -41.32 +/- 12.62 (-53.94 to -28.70)

assign (resid  34 and name  N) (resid  34 and name CA) 
       (resid  34 and name  C) (resid  35 and name  N) 1.0   -41.32    12.62 2

! 96. E 35 Psi -41.12 +/- 13.40 (-54.52 to -27.72)

assign (resid  35 and name  N) (resid  35 and name CA) 
       (resid  35 and name  C) (resid  36 and name  N) 1.0   -41.12    13.40 2

! 97. L 36 Psi -44.20 +/- 12.06 (-56.26 to -32.14)

assign (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (resid  37 and name  N) 1.0   -44.20    12.06 2

! 98. L 37 Psi -39.24 +/- 15.58 (-54.82 to -23.66)

assign (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (resid  38 and name  N) 1.0   -39.24    15.58 2

! 99. N 38 Psi -39.78 +/- 14.18 (-53.96 to -25.60)

assign (resid  38 and name  N) (resid  38 and name CA) 
       (resid  38 and name  C) (resid  39 and name  N) 1.0   -39.78    14.18 2

! 100. E 39 Psi -39.58 +/- 16.78 (-56.36 to -22.80)

assign (resid  39 and name  N) (resid  39 and name CA) 
       (resid  39 and name  C) (resid  40 and name  N) 1.0   -39.58    16.78 2

! 101. I 40 Psi -44.70 +/- 9.78 (-54.48 to -34.92)

assign (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0   -44.70     9.78 2

! 102. A 41 Psi -40.45 +/- 9.44 (-49.89 to -31.01)

assign (resid  41 and name  N) (resid  41 and name CA) 
       (resid  41 and name  C) (resid  42 and name  N) 1.0   -40.45     9.44 2

! 103. S 42 Psi -42.93 +/- 14.42 (-57.35 to -28.51)

assign (resid  42 and name  N) (resid  42 and name CA) 
       (resid  42 and name  C) (resid  43 and name  N) 1.0   -42.93    14.42 2

! 104. L 43 Psi -33.81 +/- 19.54 (-53.35 to -14.27)

assign (resid  43 and name  N) (resid  43 and name CA) 
       (resid  43 and name  C) (resid  44 and name  N) 1.0   -33.81    19.54 2

! 105. V 46 Psi 157.67 +/- 15.34 (142.33 to 173.01)

assign (resid  46 and name  N) (resid  46 and name CA) 
       (resid  46 and name  C) (resid  47 and name  N) 1.0   157.67    15.34 2

! 106. K 47 Psi 151.90 +/- 25.42 (126.48 to 177.32)

assign (resid  47 and name  N) (resid  47 and name CA) 
       (resid  47 and name  C) (resid  48 and name  N) 1.0   151.90    25.42 2

! 108. E 49 Psi -41.32 +/- 15.84 (-57.16 to -25.48)

assign (resid  49 and name  N) (resid  49 and name CA) 
       (resid  49 and name  C) (resid  50 and name  N) 1.0   -41.32    15.84 2

! 109. E 50 Psi -36.29 +/- 28.10 (-64.39 to -8.19)

assign (resid  50 and name  N) (resid  50 and name CA) 
       (resid  50 and name  C) (resid  51 and name  N) 1.0   -36.29    28.10 2

! 110. L 51 Psi -31.99 +/- 28.30 (-60.29 to -3.69)

assign (resid  51 and name  N) (resid  51 and name CA) 
       (resid  51 and name  C) (resid  52 and name  N) 1.0   -31.99    28.30 2

! 112. D 53 Psi -41.86 +/- 14.20 (-56.06 to -27.66)

assign (resid  53 and name  N) (resid  53 and name CA) 
       (resid  53 and name  C) (resid  54 and name  N) 1.0   -41.86    14.20 2

! 113. R 54 Psi -34.99 +/- 18.18 (-53.17 to -16.81)

assign (resid  54 and name  N) (resid  54 and name CA) 
       (resid  54 and name  C) (resid  55 and name  N) 1.0   -34.99    18.18 2

! 114. I 55 Psi -44.12 +/- 17.42 (-61.54 to -26.70)

assign (resid  55 and name  N) (resid  55 and name CA) 
       (resid  55 and name  C) (resid  56 and name  N) 1.0   -44.12    17.42 2

! 115. A 56 Psi -39.67 +/- 16.02 (-55.69 to -23.65)

assign (resid  56 and name  N) (resid  56 and name CA) 
       (resid  56 and name  C) (resid  57 and name  N) 1.0   -39.67    16.02 2

! 116. Q 57 Psi -33.98 +/- 20.64 (-54.62 to -13.34)

assign (resid  57 and name  N) (resid  57 and name CA) 
       (resid  57 and name  C) (resid  58 and name  N) 1.0   -33.98    20.64 2

! 117. F 58 Psi -21.90 +/- 53.38 (-75.28 to 31.48)

assign (resid  58 and name  N) (resid  58 and name CA) 
       (resid  58 and name  C) (resid  59 and name  N) 1.0   -21.90    53.38 2

! 118. Y 59 Psi -41.82 +/- 14.12 (-55.94 to -27.70)

assign (resid  59 and name  N) (resid  59 and name CA) 
       (resid  59 and name  C) (resid  60 and name  N) 1.0   -41.82    14.12 2

! 119. T 60 Psi -40.22 +/- 14.00 (-54.22 to -26.22)

assign (resid  60 and name  N) (resid  60 and name CA) 
       (resid  60 and name  C) (resid  61 and name  N) 1.0   -40.22    14.00 2

! 120. D 61 Psi -41.19 +/- 23.90 (-65.09 to -17.29)

assign (resid  61 and name  N) (resid  61 and name CA) 
       (resid  61 and name  C) (resid  62 and name  N) 1.0   -41.19    23.90 2

! 121. L 62 Psi -36.57 +/- 24.72 (-61.29 to -11.85)

assign (resid  62 and name  N) (resid  62 and name CA) 
       (resid  62 and name  C) (resid  63 and name  N) 1.0   -36.57    24.72 2

! 122. N 63 Psi -33.54 +/- 19.06 (-52.60 to -14.48)

assign (resid  63 and name  N) (resid  63 and name CA) 
       (resid  63 and name  C) (resid  64 and name  N) 1.0   -33.54    19.06 2

! 123. L 69 Psi 133.34 +/- 22.74 (110.60 to 156.08)

assign (resid  69 and name  N) (resid  69 and name CA) 
       (resid  69 and name  C) (resid  70 and name  N) 1.0   133.34    22.74 2

! 124. A 70 Psi 113.36 +/- 38.18 (75.18 to 151.54)

assign (resid  70 and name  N) (resid  70 and name CA) 
       (resid  70 and name  C) (resid  71 and name  N) 1.0   113.36    38.18 2

! 125. S 72 Psi -12.34 +/- 47.10 (-59.44 to 34.76)

assign (resid  72 and name  N) (resid  72 and name CA) 
       (resid  72 and name  C) (resid  73 and name  N) 1.0   -12.34    47.10 2

! 126. W 76 Psi 158.38 +/- 29.82 (128.56 to 188.20)

assign (resid  76 and name  N) (resid  76 and name CA) 
       (resid  76 and name  C) (resid  77 and name  N) 1.0   158.38    29.82 2

! 128. S 80 Psi -10.10 +/- 31.66 (-41.76 to 21.56)

assign (resid  80 and name  N) (resid  80 and name CA) 
       (resid  80 and name  C) (resid  81 and name  N) 1.0   -10.10    31.66 2

! 129. P 83 Psi 150.87 +/- 17.06 (133.81 to 167.93)

assign (resid  83 and name  N) (resid  83 and name CA) 
       (resid  83 and name  C) (resid  84 and name  N) 1.0   150.87    17.06 2

! 130. E 90 Psi -27.67 +/- 48.44 (-76.11 to 20.77)

assign (resid  90 and name  N) (resid  90 and name CA) 
       (resid  90 and name  C) (resid  91 and name  N) 1.0   -27.67    48.44 2

! 131. T 91 Psi -35.37 +/- 48.68 (-84.05 to 13.31)

assign (resid  91 and name  N) (resid  91 and name CA) 
       (resid  91 and name  C) (resid  92 and name  N) 1.0   -35.37    48.68 2

! 132. Q 92 Psi -31.69 +/- 30.84 (-62.53 to -0.85)

assign (resid  92 and name  N) (resid  92 and name CA) 
       (resid  92 and name  C) (resid  93 and name  N) 1.0   -31.69    30.84 2

! 133. H 95 Psi 117.46 +/- 37.42 (80.04 to 154.88)

assign (resid  95 and name  N) (resid  95 and name CA) 
       (resid  95 and name  C) (resid  96 and name  N) 1.0   117.46    37.42 2

! 134. H 96 Psi -24.90 +/- 30.40 (-55.30 to 5.50)

assign (resid  96 and name  N) (resid  96 and name CA) 
       (resid  96 and name  C) (resid  97 and name  N) 1.0   -24.90    30.40 2

assign (resid 3 and name HN) (resid 3 and name HB) 2.951 1.088 2.588 weight 1.000 ! spec=HCH_al, no=19, id=2731, vol=3.330000e+06
assign (resid 3 and name HB) (resid 4 and name HN) 2.926 1.070 2.57 weight 1.000 ! spec=HCH_al, no=20, id=2732, vol=3.500000e+06
assign (resid 3 and name HB) (resid 6 and name HD1) 3.132 1.226 2.726 weight 1.000 ! spec=HCH_al, no=22, id=2734, vol=2.330000e+06
    or (resid    3 and name   HB) (resid    6 and name  HD2)
assign (resid 3 and name HB) (resid 6 and name HA) 3.331 1.387 2.887 weight 1.000 ! spec=HCH_al, no=23, id=2735, vol=1.610000e+06
assign (resid 3 and name HB) (resid 3 and name HA) 2.343 0.686 2.186 weight 1.000 ! spec=HCH_al, no=24, id=2736, vol=1.330000e+07
assign (resid 3 and name HB) (resid 2 and name HA2) 3.218 1.294 2.794 weight 1.000 ! spec=HCH_al, no=25, id=2737, vol=1.980000e+06
assign (resid 3 and name HG22) (resid 6 and name HD1) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=33, id=2743, vol=5.330000e+06
    or (resid    3 and name HG22) (resid    6 and name  HD2)
    or (resid    3 and name HG21) (resid    6 and name  HD1)
    or (resid    3 and name HG21) (resid    6 and name  HD2)
    or (resid    3 and name HG23) (resid    6 and name  HD1)
    or (resid    3 and name HG23) (resid    6 and name  HD2)
assign (resid 3 and name HN) (resid 3 and name HG12) 3.409 1.453 2.953 weight 1.000 ! spec=HCH_al, no=34, id=2744, vol=1.400000e+06
assign (resid 3 and name HG12) (resid 4 and name HN) 3.197 1.277 2.777 weight 1.000 ! spec=HCH_al, no=35, id=2745, vol=2.060000e+06
assign (resid 3 and name HG12) (resid 6 and name HD1) 3.054 1.166 2.666 weight 1.000 ! spec=HCH_al, no=36, id=2746, vol=2.710000e+06
    or (resid    3 and name HG12) (resid    6 and name  HD2)
assign (resid 3 and name HG12) (resid 3 and name HA) 2.696 0.909 2.409 weight 1.000 ! spec=HCH_al, no=37, id=2747, vol=5.720000e+06
assign (resid 3 and name HG12) (resid 2 and name HA2) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_al, no=38, id=2748, vol=1.620000e+06
assign (resid 3 and name HB) (resid 3 and name HG12) 2.331 0.679 2.179 weight 1.000 ! spec=HCH_al, no=40, id=2750, vol=1.370000e+07
assign (resid 3 and name HG11) (resid 4 and name HN) 3.452 1.489 2.989 weight 1.000 ! spec=HCH_al, no=43, id=2752, vol=1.300000e+06
assign (resid 3 and name HG11) (resid 6 and name HD1) 3.554 1.579 3.079 weight 1.000 ! spec=HCH_al, no=44, id=2753, vol=1.090000e+06
    or (resid    3 and name HG11) (resid    6 and name  HD2)
assign (resid 3 and name HB) (resid 3 and name HG11) 2.483 0.771 2.271 weight 1.000 ! spec=HCH_al, no=46, id=2755, vol=9.380000e+06
assign (resid 3 and name HG11) (resid 3 and name HG12) 1.875 0.439 1.939 weight 1.000 ! spec=HCH_al, no=47, id=2756, vol=5.060000e+07
assign (resid 3 and name HD12) (resid 23 and name HN) 2.540 0.807 2.307 weight 1.000 ! spec=HCH_al, no=50, id=2758, vol=8.180000e+06
    or (resid    3 and name HD11) (resid   23 and name   HN)
    or (resid    3 and name HD13) (resid   23 and name   HN)
assign (resid 22 and name HN) (resid 3 and name HD12) 2.717 0.923 2.423 weight 1.000 ! spec=HCH_al, no=52, id=2760, vol=5.460000e+06
    or (resid   22 and name   HN) (resid    3 and name HD11)
    or (resid   22 and name   HN) (resid    3 and name HD13)
assign (resid 3 and name HD12) (resid 19 and name HN) 3.291 1.354 2.854 weight 1.000 ! spec=HCH_al, no=53, id=2761, vol=1.730000e+06
    or (resid    3 and name HD11) (resid   19 and name   HN)
    or (resid    3 and name HD13) (resid   19 and name   HN)
assign (resid 3 and name HD12) (resid 6 and name HN) 3.167 1.253 2.753 weight 1.000 ! spec=HCH_al, no=54, id=2762, vol=2.180000e+06
    or (resid    3 and name HD11) (resid    6 and name   HN)
    or (resid    3 and name HD13) (resid    6 and name   HN)
assign (resid 3 and name HD12) (resid 6 and name HD1) 2.309 0.666 2.166 weight 1.000 ! spec=HCH_al, no=55, id=2763, vol=1.450000e+07
    or (resid    3 and name HD12) (resid    6 and name  HD2)
    or (resid    3 and name HD11) (resid    6 and name  HD1)
    or (resid    3 and name HD11) (resid    6 and name  HD2)
    or (resid    3 and name HD13) (resid    6 and name  HD1)
    or (resid    3 and name HD13) (resid    6 and name  HD2)
assign (resid 3 and name HD12) (resid 19 and name HA) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_al, no=59, id=2767, vol=1.460000e+07
    or (resid    3 and name HD11) (resid   19 and name   HA)
    or (resid    3 and name HD13) (resid   19 and name   HA)
assign (resid 3 and name HD12) (resid 22 and name HG1) 2.411 0.726 2.226 weight 1.000 ! spec=HCH_al, no=60, id=2768, vol=1.120000e+07
    or (resid    3 and name HD11) (resid   22 and name  HG1)
    or (resid    3 and name HD13) (resid   22 and name  HG1)
assign (resid 4 and name HB2) (resid 5 and name HN) 2.860 1.022 2.522 weight 1.000 ! spec=HCH_al, no=73, id=2772, vol=4.020000e+06
assign (resid 4 and name HB2) (resid 4 and name HA) 2.334 0.681 2.181 weight 1.000 ! spec=HCH_al, no=75, id=2774, vol=1.360000e+07
assign (resid 54 and name HB1) (resid 16 and name HD12) 2.960 1.095 2.595 weight 1.000 ! spec=HCH_al, no=76, id=2775, vol=3.270000e+06
    or (resid   54 and name  HB1) (resid   16 and name HD11)
    or (resid   54 and name  HB1) (resid   16 and name HD13)
assign (resid 4 and name HB1) (resid 4 and name HA) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_al, no=80, id=2779, vol=1.240000e+07
assign (resid 48 and name HB1) (resid 48 and name HG2) 2.043 0.522 2.022 weight 1.000 ! spec=HCH_al, no=83, id=2781, vol=3.020000e+07
    or (resid   48 and name  HB1) (resid   48 and name  HG1)
assign (resid 4 and name HG2) (resid 5 and name HN) 3.374 1.423 2.923 weight 1.000 ! spec=HCH_al, no=84, id=2782, vol=1.490000e+06
assign (resid 4 and name HG2) (resid 4 and name HA) 2.527 0.798 2.298 weight 1.000 ! spec=HCH_al, no=85, id=2783, vol=8.440000e+06
assign (resid 4 and name HG1) (resid 5 and name HN) 3.417 1.460 2.96 weight 1.000 ! spec=HCH_al, no=89, id=2785, vol=1.380000e+06
assign (resid 4 and name HG1) (resid 4 and name HD2) 1.967 0.483 1.983 weight 1.000 ! spec=HCH_al, no=90, id=2786, vol=3.800000e+07
    or (resid    4 and name  HG1) (resid    4 and name  HD1)
assign (resid 20 and name HN) (resid 19 and name HG12) 3.162 1.250 2.75 weight 1.000 ! spec=HCH_al, no=92, id=2787, vol=2.200000e+06
assign (resid 5 and name HB2) (resid 6 and name HE1) 3.523 1.551 3.051 weight 1.000 ! spec=HCH_al, no=103, id=2791, vol=1.150000e+06
    or (resid    5 and name  HB2) (resid    6 and name  HE2)
    or (resid    5 and name  HB1) (resid    6 and name  HE1)
    or (resid    5 and name  HB1) (resid    6 and name  HE2)
assign (resid 5 and name HG2) (resid 5 and name HN) 2.511 0.788 2.288 weight 1.000 ! spec=HCH_al, no=104, id=2792, vol=8.760000e+06
assign (resid 6 and name HN) (resid 5 and name HG2) 2.674 0.894 2.394 weight 1.000 ! spec=HCH_al, no=105, id=2793, vol=6.010000e+06
assign (resid 5 and name HG2) (resid 6 and name HD1) 3.266 1.334 2.834 weight 1.000 ! spec=HCH_al, no=106, id=2794, vol=1.810000e+06
    or (resid    5 and name  HG2) (resid    6 and name  HD2)
assign (resid 5 and name HG2) (resid 5 and name HA) 2.518 0.792 2.292 weight 1.000 ! spec=HCH_al, no=108, id=2796, vol=8.630000e+06
assign (resid 5 and name HG1) (resid 6 and name HD1) 3.257 1.326 2.826 weight 1.000 ! spec=HCH_al, no=113, id=2800, vol=1.840000e+06
    or (resid    5 and name  HG1) (resid    6 and name  HD2)
assign (resid 5 and name HG1) (resid 6 and name HA) 3.341 1.395 2.895 weight 1.000 ! spec=HCH_al, no=115, id=2802, vol=1.580000e+06
assign (resid 5 and name HG1) (resid 5 and name HG2) 1.826 0.417 1.917 weight 1.000 ! spec=HCH_al, no=117, id=2804, vol=5.920000e+07
assign (resid 29 and name HB2) (resid 29 and name HB1) 1.779 0.395 1.895 weight 1.000 ! spec=HCH_al, no=119, id=2805, vol=6.940000e+07
assign (resid 7 and name HN) (resid 6 and name HB2) 2.704 0.914 2.414 weight 1.000 ! spec=HCH_al, no=120, id=2806, vol=5.620000e+06
assign (resid 6 and name HB2) (resid 6 and name HD1) 2.613 0.853 2.353 weight 1.000 ! spec=HCH_al, no=123, id=2809, vol=6.910000e+06
    or (resid    6 and name  HB2) (resid    6 and name  HD2)
assign (resid 6 and name HB2) (resid 3 and name HA) 3.430 1.471 2.971 weight 1.000 ! spec=HCH_al, no=125, id=2811, vol=1.350000e+06
assign (resid 6 and name HB2) (resid 10 and name HB2) 2.933 1.076 2.576 weight 1.000 ! spec=HCH_al, no=129, id=2814, vol=3.450000e+06
assign (resid 6 and name HB2) (resid 10 and name HB1) 2.991 1.118 2.618 weight 1.000 ! spec=HCH_al, no=131, id=2816, vol=3.070000e+06
assign (resid 6 and name HB2) (resid 11 and name HG) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_al, no=132, id=2817, vol=4.680000e+06
assign (resid 6 and name HB2) (resid 11 and name HD22) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=133, id=2818, vol=5.580000e+06
    or (resid    6 and name  HB2) (resid   11 and name HD21)
    or (resid    6 and name  HB2) (resid   11 and name HD23)
assign (resid 7 and name HN) (resid 6 and name HB1) 2.924 1.068 2.568 weight 1.000 ! spec=HCH_al, no=134, id=2819, vol=3.520000e+06
assign (resid 6 and name HB1) (resid 6 and name HD1) 2.506 0.785 2.285 weight 1.000 ! spec=HCH_al, no=137, id=2822, vol=8.880000e+06
    or (resid    6 and name  HB1) (resid    6 and name  HD2)
assign (resid 6 and name HB1) (resid 6 and name HE1) 3.498 1.529 3.029 weight 1.000 ! spec=HCH_al, no=138, id=2823, vol=1.200000e+06
    or (resid    6 and name  HB1) (resid    6 and name  HE2)
assign (resid 6 and name HB1) (resid 6 and name HA) 2.617 0.856 2.356 weight 1.000 ! spec=HCH_al, no=139, id=2824, vol=6.850000e+06
assign (resid 6 and name HB2) (resid 6 and name HB1) 2.128 0.566 2.066 weight 1.000 ! spec=HCH_al, no=142, id=2827, vol=2.370000e+07
assign (resid 6 and name HB1) (resid 10 and name HB2) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=143, id=2828, vol=3.250000e+06
assign (resid 6 and name HB1) (resid 11 and name HG) 2.759 0.952 2.452 weight 1.000 ! spec=HCH_al, no=145, id=2830, vol=4.980000e+06
assign (resid 8 and name HB2) (resid 8 and name HE21) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=167, id=2832, vol=1.050000e+06
assign (resid 8 and name HB2) (resid 8 and name HA) 2.284 0.652 2.152 weight 1.000 ! spec=HCH_al, no=168, id=2833, vol=1.550000e+07
assign (resid 19 and name HN) (resid 18 and name HB1) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=170, id=2835, vol=2.980000e+06
assign (resid 18 and name HB1) (resid 19 and name HA) 3.456 1.493 2.993 weight 1.000 ! spec=HCH_al, no=172, id=2837, vol=1.290000e+06
assign (resid 8 and name HN) (resid 8 and name HG2) 2.835 1.005 2.505 weight 1.000 ! spec=HCH_al, no=173, id=2838, vol=4.230000e+06
assign (resid 8 and name HE21) (resid 8 and name HG2) 2.496 0.779 2.279 weight 1.000 ! spec=HCH_al, no=175, id=2840, vol=9.090000e+06
assign (resid 8 and name HE22) (resid 8 and name HG2) 2.705 0.915 2.415 weight 1.000 ! spec=HCH_al, no=176, id=2841, vol=5.610000e+06
assign (resid 8 and name HG1) (resid 9 and name HN) 2.991 1.118 2.618 weight 1.000 ! spec=HCH_al, no=180, id=2844, vol=3.070000e+06
assign (resid 74 and name HN) (resid 74 and name HG2) 2.722 0.926 2.426 weight 1.000 ! spec=HCH_al, no=181, id=2845, vol=5.400000e+06
    or (resid   74 and name   HN) (resid   74 and name  HG1)
assign (resid 8 and name HE21) (resid 8 and name HG1) 2.889 1.043 2.543 weight 1.000 ! spec=HCH_al, no=182, id=2846, vol=3.780000e+06
assign (resid 8 and name HE22) (resid 8 and name HG1) 3.164 1.252 2.752 weight 1.000 ! spec=HCH_al, no=183, id=2847, vol=2.190000e+06
assign (resid 8 and name HG1) (resid 44 and name HD22) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=186, id=2849, vol=1.550000e+06
    or (resid    8 and name  HG1) (resid   44 and name HD21)
    or (resid    8 and name  HG1) (resid   44 and name HD23)
    or (resid    8 and name  HG1) (resid   44 and name HD12)
    or (resid    8 and name  HG1) (resid   44 and name HD11)
    or (resid    8 and name  HG1) (resid   44 and name HD13)
assign (resid 49 and name HN) (resid 49 and name HG2) 2.676 0.895 2.395 weight 1.000 ! spec=HCH_al, no=196, id=2850, vol=5.990000e+06
assign (resid 9 and name HN) (resid 9 and name HG2) 2.553 0.815 2.315 weight 1.000 ! spec=HCH_al, no=197, id=2851, vol=7.930000e+06
assign (resid 49 and name HG2) (resid 50 and name HN) 3.013 1.135 2.635 weight 1.000 ! spec=HCH_al, no=198, id=2852, vol=2.940000e+06
assign (resid 9 and name HG2) (resid 9 and name HA) 2.422 0.733 2.233 weight 1.000 ! spec=HCH_al, no=200, id=2854, vol=1.090000e+07
assign (resid 9 and name HG2) (resid 9 and name HG1) 1.430 0.256 1.756 weight 1.000 ! spec=HCH_al, no=203, id=2856, vol=2.570000e+08
assign (resid 49 and name HG2) (resid 49 and name HB2) 1.875 0.439 1.939 weight 1.000 ! spec=HCH_al, no=204, id=2857, vol=5.060000e+07
    or (resid   49 and name  HG2) (resid   49 and name  HB1)
assign (resid 49 and name HG2) (resid 48 and name HD2) 2.751 0.946 2.446 weight 1.000 ! spec=HCH_al, no=205, id=2858, vol=5.070000e+06
    or (resid   49 and name  HG2) (resid   48 and name  HD1)
assign (resid 49 and name HN) (resid 49 and name HG1) 2.658 0.883 2.383 weight 1.000 ! spec=HCH_al, no=206, id=2859, vol=6.230000e+06
assign (resid 9 and name HN) (resid 9 and name HG1) 2.494 0.778 2.278 weight 1.000 ! spec=HCH_al, no=208, id=2861, vol=9.130000e+06
assign (resid 9 and name HG1) (resid 9 and name HA) 2.364 0.698 2.198 weight 1.000 ! spec=HCH_al, no=209, id=2862, vol=1.260000e+07
assign (resid 10 and name HB2) (resid 6 and name HD1) 3.171 1.257 2.757 weight 1.000 ! spec=HCH_al, no=221, id=2869, vol=2.160000e+06
    or (resid   10 and name  HB2) (resid    6 and name  HD2)
assign (resid 10 and name HB2) (resid 6 and name HA) 3.152 1.242 2.742 weight 1.000 ! spec=HCH_al, no=222, id=2870, vol=2.240000e+06
assign (resid 10 and name HB2) (resid 10 and name HA) 2.668 0.889 2.389 weight 1.000 ! spec=HCH_al, no=223, id=2871, vol=6.100000e+06
assign (resid 7 and name HN) (resid 10 and name HB1) 2.798 0.979 2.479 weight 1.000 ! spec=HCH_al, no=227, id=2873, vol=4.580000e+06
assign (resid 10 and name HB1) (resid 10 and name HB2) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_al, no=228, id=2874, vol=2.150000e+07
assign (resid 10 and name HG2) (resid 6 and name HD1) 3.186 1.269 2.769 weight 1.000 ! spec=HCH_al, no=229, id=2875, vol=2.100000e+06
    or (resid   10 and name  HG2) (resid    6 and name  HD2)
    or (resid   10 and name  HG1) (resid    6 and name  HD1)
    or (resid   10 and name  HG1) (resid    6 and name  HD2)
assign (resid 10 and name HG2) (resid 6 and name HE1) 3.606 1.625 3.125 weight 1.000 ! spec=HCH_al, no=230, id=2876, vol=1.000000e+06
    or (resid   10 and name  HG2) (resid    6 and name  HE2)
    or (resid   10 and name  HG1) (resid    6 and name  HE1)
    or (resid   10 and name  HG1) (resid    6 and name  HE2)
assign (resid 10 and name HG2) (resid 6 and name HA) 3.059 1.170 2.67 weight 1.000 ! spec=HCH_al, no=231, id=2877, vol=2.680000e+06
    or (resid   10 and name  HG1) (resid    6 and name   HA)
assign (resid 10 and name HG2) (resid 10 and name HA) 2.334 0.681 2.181 weight 1.000 ! spec=HCH_al, no=232, id=2878, vol=1.360000e+07
    or (resid   10 and name  HG1) (resid   10 and name   HA)
assign (resid 6 and name HB2) (resid 10 and name HG2) 3.307 1.367 2.867 weight 1.000 ! spec=HCH_al, no=233, id=2879, vol=1.680000e+06
    or (resid    6 and name  HB2) (resid   10 and name  HG1)
assign (resid 11 and name HG) (resid 11 and name HA) 2.909 1.058 2.558 weight 1.000 ! spec=HCH_al, no=263, id=2882, vol=3.630000e+06
assign (resid 44 and name HG) (resid 44 and name HD22) 2.032 0.516 2.016 weight 1.000 ! spec=HCH_al, no=265, id=2884, vol=3.120000e+07
    or (resid   44 and name   HG) (resid   44 and name HD21)
    or (resid   44 and name   HG) (resid   44 and name HD23)
    or (resid   44 and name   HG) (resid   44 and name HD12)
    or (resid   44 and name   HG) (resid   44 and name HD11)
    or (resid   44 and name   HG) (resid   44 and name HD13)
assign (resid 11 and name HD22) (resid 6 and name HD1) 2.146 0.576 2.076 weight 1.000 ! spec=HCH_al, no=271, id=2889, vol=2.250000e+07
    or (resid   11 and name HD22) (resid    6 and name  HD2)
    or (resid   11 and name HD21) (resid    6 and name  HD1)
    or (resid   11 and name HD21) (resid    6 and name  HD2)
    or (resid   11 and name HD23) (resid    6 and name  HD1)
    or (resid   11 and name HD23) (resid    6 and name  HD2)
assign (resid 12 and name HB2) (resid 13 and name HN) 2.721 0.926 2.426 weight 1.000 ! spec=HCH_al, no=283, id=2893, vol=5.410000e+06
assign (resid 12 and name HB2) (resid 44 and name HD22) 2.844 1.011 2.511 weight 1.000 ! spec=HCH_al, no=286, id=2895, vol=4.150000e+06
    or (resid   12 and name  HB2) (resid   44 and name HD21)
    or (resid   12 and name  HB2) (resid   44 and name HD23)
    or (resid   12 and name  HB2) (resid   44 and name HD12)
    or (resid   12 and name  HB2) (resid   44 and name HD11)
    or (resid   12 and name  HB2) (resid   44 and name HD13)
assign (resid 12 and name HB1) (resid 12 and name HA) 2.276 0.648 2.148 weight 1.000 ! spec=HCH_al, no=287, id=2896, vol=1.580000e+07
assign (resid 12 and name HG2) (resid 12 and name HE2) 2.557 0.817 2.317 weight 1.000 ! spec=HCH_al, no=290, id=2899, vol=7.870000e+06
    or (resid   12 and name  HG2) (resid   12 and name  HE1)
assign (resid 12 and name HG2) (resid 11 and name HB1) 2.759 0.952 2.452 weight 1.000 ! spec=HCH_al, no=294, id=2902, vol=4.980000e+06
assign (resid 12 and name HG1) (resid 12 and name HA) 2.453 0.752 2.252 weight 1.000 ! spec=HCH_al, no=297, id=2904, vol=1.010000e+07
assign (resid 12 and name HG2) (resid 12 and name HG1) 1.685 0.355 1.855 weight 1.000 ! spec=HCH_al, no=298, id=2905, vol=9.610000e+07
assign (resid 12 and name HG1) (resid 44 and name HD22) 2.545 0.810 2.31 weight 1.000 ! spec=HCH_al, no=300, id=2906, vol=8.080000e+06
    or (resid   12 and name  HG1) (resid   44 and name HD21)
    or (resid   12 and name  HG1) (resid   44 and name HD23)
    or (resid   12 and name  HG1) (resid   44 and name HD12)
    or (resid   12 and name  HG1) (resid   44 and name HD11)
    or (resid   12 and name  HG1) (resid   44 and name HD13)
assign (resid 13 and name HB2) (resid 14 and name HN) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=311, id=2912, vol=1.540000e+06
assign (resid 13 and name HN) (resid 13 and name HB2) 2.425 0.735 2.235 weight 1.000 ! spec=HCH_al, no=312, id=2913, vol=1.080000e+07
assign (resid 13 and name HB2) (resid 13 and name HA) 2.304 0.663 2.163 weight 1.000 ! spec=HCH_al, no=313, id=2914, vol=1.470000e+07
assign (resid 13 and name HB2) (resid 10 and name HA) 3.382 1.429 2.929 weight 1.000 ! spec=HCH_al, no=314, id=2915, vol=1.470000e+06
assign (resid 13 and name HB1) (resid 14 and name HN) 2.922 1.067 2.567 weight 1.000 ! spec=HCH_al, no=317, id=2918, vol=3.530000e+06
assign (resid 13 and name HB1) (resid 13 and name HA) 2.445 0.747 2.247 weight 1.000 ! spec=HCH_al, no=319, id=2920, vol=1.030000e+07
assign (resid 13 and name HB2) (resid 13 and name HB1) 1.752 0.384 1.884 weight 1.000 ! spec=HCH_al, no=321, id=2922, vol=7.600000e+07
assign (resid 13 and name HG2) (resid 14 and name HN) 3.108 1.207 2.707 weight 1.000 ! spec=HCH_al, no=322, id=2923, vol=2.440000e+06
assign (resid 13 and name HN) (resid 13 and name HG2) 2.352 0.691 2.191 weight 1.000 ! spec=HCH_al, no=323, id=2924, vol=1.300000e+07
assign (resid 13 and name HG2) (resid 13 and name HA) 2.411 0.726 2.226 weight 1.000 ! spec=HCH_al, no=326, id=2927, vol=1.120000e+07
assign (resid 13 and name HN) (resid 13 and name HG1) 2.364 0.698 2.198 weight 1.000 ! spec=HCH_al, no=330, id=2931, vol=1.260000e+07
assign (resid 15 and name HN) (resid 14 and name HB2) 2.515 0.791 2.291 weight 1.000 ! spec=HCH_al, no=339, id=2936, vol=8.680000e+06
    or (resid   15 and name   HN) (resid   14 and name  HB1)
assign (resid 19 and name HN) (resid 14 and name HB2) 3.162 1.250 2.75 weight 1.000 ! spec=HCH_al, no=340, id=2937, vol=2.200000e+06
    or (resid   19 and name   HN) (resid   14 and name  HB1)
assign (resid 14 and name HB2) (resid 14 and name HA) 2.358 0.695 2.195 weight 1.000 ! spec=HCH_al, no=343, id=2940, vol=1.280000e+07
    or (resid   14 and name  HB1) (resid   14 and name   HA)
assign (resid 14 and name HB2) (resid 19 and name HA) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=344, id=2941, vol=1.050000e+06
    or (resid   14 and name  HB1) (resid   19 and name   HA)
assign (resid 14 and name HN) (resid 14 and name HG2) 2.404 0.722 2.222 weight 1.000 ! spec=HCH_al, no=352, id=2948, vol=1.140000e+07
assign (resid 13 and name HN) (resid 14 and name HG2) 2.815 0.990 2.49 weight 1.000 ! spec=HCH_al, no=353, id=2949, vol=4.420000e+06
assign (resid 14 and name HG2) (resid 14 and name HA) 2.539 0.806 2.306 weight 1.000 ! spec=HCH_al, no=354, id=2950, vol=8.210000e+06
assign (resid 14 and name HG2) (resid 11 and name HA) 2.768 0.958 2.458 weight 1.000 ! spec=HCH_al, no=355, id=2951, vol=4.890000e+06
assign (resid 14 and name HG2) (resid 19 and name HG12) 3.125 1.221 2.721 weight 1.000 ! spec=HCH_al, no=357, id=2952, vol=2.360000e+06
assign (resid 14 and name HG2) (resid 14 and name HE2) 2.568 0.824 2.324 weight 1.000 ! spec=HCH_al, no=358, id=2953, vol=7.670000e+06
    or (resid   14 and name  HG2) (resid   14 and name  HE1)
    or (resid   14 and name  HG2) (resid   14 and name  HE3)
assign (resid 14 and name HG1) (resid 19 and name HN) 3.594 1.615 3.115 weight 1.000 ! spec=HCH_al, no=361, id=2956, vol=1.020000e+06
assign (resid 14 and name HN) (resid 14 and name HG1) 2.570 0.826 2.326 weight 1.000 ! spec=HCH_al, no=362, id=2957, vol=7.630000e+06
assign (resid 14 and name HG1) (resid 11 and name HA) 2.911 1.059 2.559 weight 1.000 ! spec=HCH_al, no=364, id=2959, vol=3.610000e+06
assign (resid 14 and name HG1) (resid 14 and name HG2) 1.724 0.372 1.872 weight 1.000 ! spec=HCH_al, no=365, id=2960, vol=8.370000e+07
assign (resid 14 and name HB2) (resid 14 and name HG1) 2.314 0.670 2.17 weight 1.000 ! spec=HCH_al, no=367, id=2961, vol=1.430000e+07
    or (resid   14 and name  HB1) (resid   14 and name  HG1)
assign (resid 15 and name HN) (resid 15 and name HB2) 1.790 0.401 1.901 weight 1.000 ! spec=HCH_al, no=383, id=2965, vol=6.680000e+07
    or (resid   15 and name   HN) (resid   15 and name  HB1)
    or (resid   15 and name   HN) (resid   15 and name  HB3)
assign (resid 16 and name HN) (resid 15 and name HB2) 2.128 0.566 2.066 weight 1.000 ! spec=HCH_al, no=384, id=2966, vol=2.370000e+07
    or (resid   16 and name   HN) (resid   15 and name  HB1)
    or (resid   16 and name   HN) (resid   15 and name  HB3)
assign (resid 18 and name HN) (resid 15 and name HB2) 2.174 0.591 2.091 weight 1.000 ! spec=HCH_al, no=385, id=2967, vol=2.080000e+07
    or (resid   18 and name   HN) (resid   15 and name  HB1)
    or (resid   18 and name   HN) (resid   15 and name  HB3)
assign (resid 20 and name HN) (resid 16 and name HA) 3.048 1.161 2.661 weight 1.000 ! spec=HCH_al, no=391, id=2972, vol=2.740000e+06
assign (resid 16 and name HN) (resid 16 and name HA) 2.502 0.782 2.282 weight 1.000 ! spec=HCH_al, no=392, id=2973, vol=8.970000e+06
assign (resid 19 and name HN) (resid 16 and name HA) 2.790 0.973 2.473 weight 1.000 ! spec=HCH_al, no=393, id=2974, vol=4.660000e+06
assign (resid 18 and name HN) (resid 16 and name HA) 3.023 1.142 2.642 weight 1.000 ! spec=HCH_al, no=394, id=2975, vol=2.880000e+06
assign (resid 16 and name HA) (resid 19 and name HB) 2.590 0.839 2.339 weight 1.000 ! spec=HCH_al, no=396, id=2976, vol=7.280000e+06
assign (resid 16 and name HA) (resid 16 and name HG) 2.631 0.866 2.366 weight 1.000 ! spec=HCH_al, no=397, id=2977, vol=6.620000e+06
assign (resid 16 and name HA) (resid 15 and name HB2) 3.056 1.167 2.667 weight 1.000 ! spec=HCH_al, no=398, id=2978, vol=2.700000e+06
    or (resid   16 and name   HA) (resid   15 and name  HB1)
    or (resid   16 and name   HA) (resid   15 and name  HB3)
assign (resid 16 and name HA) (resid 16 and name HB2) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=399, id=2979, vol=7.420000e+06
assign (resid 16 and name HA) (resid 17 and name HG22) 3.426 1.467 2.967 weight 1.000 ! spec=HCH_al, no=400, id=2980, vol=1.360000e+06
    or (resid   16 and name   HA) (resid   17 and name HG21)
    or (resid   16 and name   HA) (resid   17 and name HG23)
    or (resid   16 and name   HA) (resid   17 and name HG12)
    or (resid   16 and name   HA) (resid   17 and name HG11)
    or (resid   16 and name   HA) (resid   17 and name HG13)
assign (resid 16 and name HB2) (resid 58 and name HD1) 3.043 1.157 2.657 weight 1.000 ! spec=HCH_al, no=405, id=2985, vol=2.770000e+06
    or (resid   16 and name  HB2) (resid   58 and name  HD2)
assign (resid 16 and name HB2) (resid 58 and name HE1) 3.401 1.446 2.946 weight 1.000 ! spec=HCH_al, no=406, id=2986, vol=1.420000e+06
    or (resid   16 and name  HB2) (resid   58 and name  HE2)
assign (resid 16 and name HB2) (resid 15 and name HA) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=407, id=2987, vol=1.410000e+06
assign (resid 16 and name HB2) (resid 16 and name HG) 2.488 0.774 2.274 weight 1.000 ! spec=HCH_al, no=409, id=2989, vol=9.260000e+06
assign (resid 16 and name HB2) (resid 17 and name HG22) 3.434 1.474 2.974 weight 1.000 ! spec=HCH_al, no=411, id=2990, vol=1.340000e+06
    or (resid   16 and name  HB2) (resid   17 and name HG21)
    or (resid   16 and name  HB2) (resid   17 and name HG23)
    or (resid   16 and name  HB2) (resid   17 and name HG12)
    or (resid   16 and name  HB2) (resid   17 and name HG11)
    or (resid   16 and name  HB2) (resid   17 and name HG13)
assign (resid 16 and name HB2) (resid 19 and name HD12) 3.544 1.570 3.07 weight 1.000 ! spec=HCH_al, no=412, id=2991, vol=1.110000e+06
    or (resid   16 and name  HB2) (resid   19 and name HD11)
    or (resid   16 and name  HB2) (resid   19 and name HD13)
assign (resid 16 and name HB2) (resid 16 and name HB1) 2.244 0.630 2.13 weight 1.000 ! spec=HCH_al, no=414, id=2992, vol=1.720000e+07
assign (resid 16 and name HN) (resid 16 and name HB1) 2.833 1.003 2.503 weight 1.000 ! spec=HCH_al, no=415, id=2993, vol=4.250000e+06
assign (resid 16 and name HB1) (resid 58 and name HD1) 3.108 1.207 2.707 weight 1.000 ! spec=HCH_al, no=416, id=2994, vol=2.440000e+06
    or (resid   16 and name  HB1) (resid   58 and name  HD2)
assign (resid 16 and name HB1) (resid 15 and name HA) 3.679 1.692 3.192 weight 1.000 ! spec=HCH_al, no=417, id=2995, vol=8.870000e+05
assign (resid 16 and name HB1) (resid 16 and name HA) 2.688 0.903 2.403 weight 1.000 ! spec=HCH_al, no=418, id=2996, vol=5.830000e+06
assign (resid 16 and name HB1) (resid 58 and name HB1) 3.430 1.471 2.971 weight 1.000 ! spec=HCH_al, no=419, id=2997, vol=1.350000e+06
assign (resid 16 and name HB1) (resid 16 and name HG) 2.660 0.885 2.385 weight 1.000 ! spec=HCH_al, no=420, id=2998, vol=6.200000e+06
assign (resid 16 and name HB1) (resid 17 and name HG22) 3.493 1.525 3.025 weight 1.000 ! spec=HCH_al, no=422, id=3000, vol=1.210000e+06
    or (resid   16 and name  HB1) (resid   17 and name HG21)
    or (resid   16 and name  HB1) (resid   17 and name HG23)
    or (resid   16 and name  HB1) (resid   17 and name HG12)
    or (resid   16 and name  HB1) (resid   17 and name HG11)
    or (resid   16 and name  HB1) (resid   17 and name HG13)
assign (resid 16 and name HN) (resid 16 and name HG) 2.358 0.695 2.195 weight 1.000 ! spec=HCH_al, no=426, id=3002, vol=1.280000e+07
assign (resid 16 and name HD12) (resid 16 and name HN) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=429, id=3005, vol=1.060000e+07
    or (resid   16 and name HD11) (resid   16 and name   HN)
    or (resid   16 and name HD13) (resid   16 and name   HN)
assign (resid 16 and name HD12) (resid 58 and name HE1) 2.858 1.021 2.521 weight 1.000 ! spec=HCH_al, no=430, id=3006, vol=4.030000e+06
    or (resid   16 and name HD12) (resid   58 and name  HE2)
    or (resid   16 and name HD11) (resid   58 and name  HE1)
    or (resid   16 and name HD11) (resid   58 and name  HE2)
    or (resid   16 and name HD13) (resid   58 and name  HE1)
    or (resid   16 and name HD13) (resid   58 and name  HE2)
assign (resid 16 and name HD12) (resid 16 and name HG) 2.027 0.514 2.014 weight 1.000 ! spec=HCH_al, no=433, id=3008, vol=3.170000e+07
    or (resid   16 and name HD11) (resid   16 and name   HG)
    or (resid   16 and name HD13) (resid   16 and name   HG)
assign (resid 17 and name HN) (resid 17 and name HA) 2.407 0.724 2.224 weight 1.000 ! spec=HCH_al, no=441, id=3016, vol=1.130000e+07
assign (resid 21 and name HN) (resid 17 and name HA) 3.009 1.132 2.632 weight 1.000 ! spec=HCH_al, no=442, id=3017, vol=2.960000e+06
assign (resid 19 and name HN) (resid 17 and name HA) 3.167 1.253 2.753 weight 1.000 ! spec=HCH_al, no=443, id=3018, vol=2.180000e+06
assign (resid 17 and name HA) (resid 58 and name HD1) 2.495 0.778 2.278 weight 1.000 ! spec=HCH_al, no=444, id=3019, vol=9.110000e+06
    or (resid   17 and name   HA) (resid   58 and name  HD2)
assign (resid 17 and name HA) (resid 58 and name HE1) 2.227 0.620 2.12 weight 1.000 ! spec=HCH_al, no=445, id=3020, vol=1.800000e+07
    or (resid   17 and name   HA) (resid   58 and name  HE2)
assign (resid 17 and name HA) (resid 17 and name HB) 2.334 0.681 2.181 weight 1.000 ! spec=HCH_al, no=448, id=3022, vol=1.360000e+07
assign (resid 17 and name HA) (resid 19 and name HB) 3.606 1.625 3.125 weight 1.000 ! spec=HCH_al, no=449, id=3023, vol=1.000000e+06
assign (resid 17 and name HA) (resid 17 and name HG22) 2.109 0.556 2.056 weight 1.000 ! spec=HCH_al, no=452, id=3026, vol=2.500000e+07
    or (resid   17 and name   HA) (resid   17 and name HG21)
    or (resid   17 and name   HA) (resid   17 and name HG23)
    or (resid   17 and name   HA) (resid   17 and name HG12)
    or (resid   17 and name   HA) (resid   17 and name HG11)
    or (resid   17 and name   HA) (resid   17 and name HG13)
assign (resid 17 and name HB) (resid 68 and name HZ) 3.301 1.362 2.862 weight 1.000 ! spec=HCH_al, no=458, id=3031, vol=1.700000e+06
assign (resid 17 and name HB) (resid 58 and name HD1) 2.533 0.802 2.302 weight 1.000 ! spec=HCH_al, no=459, id=3032, vol=8.320000e+06
    or (resid   17 and name   HB) (resid   58 and name  HD2)
assign (resid 17 and name HB) (resid 58 and name HE1) 3.073 1.180 2.68 weight 1.000 ! spec=HCH_al, no=460, id=3033, vol=2.610000e+06
    or (resid   17 and name   HB) (resid   58 and name  HE2)
assign (resid 17 and name HB) (resid 17 and name HG22) 2.022 0.511 2.011 weight 1.000 ! spec=HCH_al, no=465, id=3037, vol=3.220000e+07
    or (resid   17 and name   HB) (resid   17 and name HG21)
    or (resid   17 and name   HB) (resid   17 and name HG23)
    or (resid   17 and name   HB) (resid   17 and name HG12)
    or (resid   17 and name   HB) (resid   17 and name HG11)
    or (resid   17 and name   HB) (resid   17 and name HG13)
assign (resid 19 and name HN) (resid 18 and name HA) 2.914 1.061 2.561 weight 1.000 ! spec=HCH_al, no=466, id=3038, vol=3.590000e+06
assign (resid 18 and name HN) (resid 18 and name HA) 2.493 0.777 2.277 weight 1.000 ! spec=HCH_al, no=467, id=3039, vol=9.150000e+06
assign (resid 18 and name HA) (resid 21 and name HB1) 2.635 0.868 2.368 weight 1.000 ! spec=HCH_al, no=470, id=3041, vol=6.560000e+06
assign (resid 18 and name HA) (resid 18 and name HB2) 2.407 0.724 2.224 weight 1.000 ! spec=HCH_al, no=471, id=3042, vol=1.130000e+07
assign (resid 18 and name HB1) (resid 18 and name HA) 2.542 0.808 2.308 weight 1.000 ! spec=HCH_al, no=472, id=3043, vol=8.150000e+06
assign (resid 18 and name HA) (resid 15 and name HB2) 2.958 1.094 2.594 weight 1.000 ! spec=HCH_al, no=473, id=3044, vol=3.280000e+06
    or (resid   18 and name   HA) (resid   15 and name  HB1)
    or (resid   18 and name   HA) (resid   15 and name  HB3)
assign (resid 18 and name HA) (resid 17 and name HG22) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=474, id=3045, vol=5.550000e+06
    or (resid   18 and name   HA) (resid   17 and name HG21)
    or (resid   18 and name   HA) (resid   17 and name HG23)
    or (resid   18 and name   HA) (resid   17 and name HG12)
    or (resid   18 and name   HA) (resid   17 and name HG11)
    or (resid   18 and name   HA) (resid   17 and name HG13)
assign (resid 18 and name HB2) (resid 15 and name HN) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_al, no=475, id=3046, vol=2.050000e+06
assign (resid 57 and name HN) (resid 57 and name HB2) 2.328 0.678 2.178 weight 1.000 ! spec=HCH_al, no=477, id=3047, vol=1.380000e+07
assign (resid 19 and name HN) (resid 18 and name HB2) 3.037 1.153 2.653 weight 1.000 ! spec=HCH_al, no=478, id=3048, vol=2.800000e+06
assign (resid 18 and name HB2) (resid 18 and name HN) 2.595 0.842 2.342 weight 1.000 ! spec=HCH_al, no=479, id=3049, vol=7.190000e+06
assign (resid 57 and name HB2) (resid 57 and name HA) 2.414 0.729 2.229 weight 1.000 ! spec=HCH_al, no=481, id=3051, vol=1.110000e+07
assign (resid 18 and name HB2) (resid 19 and name HA) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=482, id=3052, vol=1.800000e+06
assign (resid 58 and name HN) (resid 57 and name HB1) 2.777 0.964 2.464 weight 1.000 ! spec=HCH_al, no=484, id=3054, vol=4.790000e+06
assign (resid 57 and name HB1) (resid 57 and name HN) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_al, no=485, id=3055, vol=1.240000e+07
assign (resid 18 and name HN) (resid 18 and name HB1) 2.503 0.783 2.283 weight 1.000 ! spec=HCH_al, no=486, id=3056, vol=8.930000e+06
assign (resid 18 and name HG2) (resid 15 and name HN) 3.150 1.240 2.74 weight 1.000 ! spec=HCH_al, no=488, id=3058, vol=2.250000e+06
assign (resid 19 and name HN) (resid 18 and name HG2) 3.310 1.370 2.87 weight 1.000 ! spec=HCH_al, no=489, id=3059, vol=1.670000e+06
assign (resid 18 and name HN) (resid 18 and name HG2) 2.705 0.915 2.415 weight 1.000 ! spec=HCH_al, no=490, id=3060, vol=5.610000e+06
assign (resid 18 and name HG2) (resid 18 and name HA) 2.757 0.950 2.45 weight 1.000 ! spec=HCH_al, no=491, id=3061, vol=5.010000e+06
assign (resid 18 and name HG2) (resid 17 and name HG22) 2.970 1.103 2.603 weight 1.000 ! spec=HCH_al, no=493, id=3063, vol=3.200000e+06
    or (resid   18 and name  HG2) (resid   17 and name HG21)
    or (resid   18 and name  HG2) (resid   17 and name HG23)
    or (resid   18 and name  HG2) (resid   17 and name HG12)
    or (resid   18 and name  HG2) (resid   17 and name HG11)
    or (resid   18 and name  HG2) (resid   17 and name HG13)
assign (resid 18 and name HG1) (resid 19 and name HN) 3.046 1.160 2.66 weight 1.000 ! spec=HCH_al, no=495, id=3065, vol=2.750000e+06
assign (resid 19 and name HB) (resid 23 and name HN) 3.456 1.493 2.993 weight 1.000 ! spec=HCH_al, no=518, id=3070, vol=1.290000e+06
assign (resid 19 and name HB) (resid 19 and name HN) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=519, id=3071, vol=7.420000e+06
assign (resid 19 and name HB) (resid 20 and name HA) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=522, id=3074, vol=1.030000e+06
assign (resid 19 and name HB) (resid 19 and name HA) 2.985 1.113 2.613 weight 1.000 ! spec=HCH_al, no=524, id=3076, vol=3.110000e+06
assign (resid 19 and name HB) (resid 17 and name HG22) 3.646 1.662 3.162 weight 1.000 ! spec=HCH_al, no=528, id=3079, vol=9.350000e+05
    or (resid   19 and name   HB) (resid   17 and name HG21)
    or (resid   19 and name   HB) (resid   17 and name HG23)
    or (resid   19 and name   HB) (resid   17 and name HG12)
    or (resid   19 and name   HB) (resid   17 and name HG11)
    or (resid   19 and name   HB) (resid   17 and name HG13)
assign (resid 19 and name HB) (resid 40 and name HD12) 3.091 1.194 2.694 weight 1.000 ! spec=HCH_al, no=530, id=3081, vol=2.520000e+06
    or (resid   19 and name   HB) (resid   40 and name HD11)
    or (resid   19 and name   HB) (resid   40 and name HD13)
assign (resid 19 and name HG22) (resid 23 and name HA) 2.981 1.111 2.611 weight 1.000 ! spec=HCH_al, no=534, id=3085, vol=3.130000e+06
    or (resid   19 and name HG21) (resid   23 and name   HA)
    or (resid   19 and name HG23) (resid   23 and name   HA)
assign (resid 19 and name HG22) (resid 16 and name HA) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=536, id=3087, vol=6.350000e+06
    or (resid   19 and name HG21) (resid   16 and name   HA)
    or (resid   19 and name HG23) (resid   16 and name   HA)
assign (resid 19 and name HG22) (resid 19 and name HA) 2.026 0.513 2.013 weight 1.000 ! spec=HCH_al, no=537, id=3088, vol=3.180000e+07
    or (resid   19 and name HG21) (resid   19 and name   HA)
    or (resid   19 and name HG23) (resid   19 and name   HA)
assign (resid 19 and name HG22) (resid 22 and name HG1) 3.097 1.199 2.699 weight 1.000 ! spec=HCH_al, no=539, id=3090, vol=2.490000e+06
    or (resid   19 and name HG21) (resid   22 and name  HG1)
    or (resid   19 and name HG23) (resid   22 and name  HG1)
assign (resid 19 and name HG12) (resid 19 and name HG11) 1.984 0.492 1.992 weight 1.000 ! spec=HCH_al, no=546, id=3096, vol=3.600000e+07
assign (resid 19 and name HG11) (resid 20 and name HN) 3.609 1.629 3.129 weight 1.000 ! spec=HCH_al, no=547, id=3097, vol=9.940000e+05
assign (resid 19 and name HN) (resid 19 and name HG11) 2.642 0.873 2.373 weight 1.000 ! spec=HCH_al, no=548, id=3098, vol=6.460000e+06
assign (resid 19 and name HG11) (resid 19 and name HA) 2.626 0.862 2.362 weight 1.000 ! spec=HCH_al, no=550, id=3100, vol=6.710000e+06
assign (resid 14 and name HG1) (resid 19 and name HG11) 3.493 1.525 3.025 weight 1.000 ! spec=HCH_al, no=551, id=3101, vol=1.210000e+06
assign (resid 14 and name HB2) (resid 19 and name HG11) 2.860 1.022 2.522 weight 1.000 ! spec=HCH_al, no=552, id=3102, vol=4.020000e+06
    or (resid   14 and name  HB1) (resid   19 and name HG11)
assign (resid 19 and name HG11) (resid 19 and name HB) 2.743 0.941 2.441 weight 1.000 ! spec=HCH_al, no=553, id=3103, vol=5.160000e+06
assign (resid 19 and name HD12) (resid 16 and name HN) 2.906 1.056 2.556 weight 1.000 ! spec=HCH_al, no=558, id=3107, vol=3.650000e+06
    or (resid   19 and name HD11) (resid   16 and name   HN)
    or (resid   19 and name HD13) (resid   16 and name   HN)
assign (resid 12 and name HN) (resid 19 and name HD12) 3.215 1.292 2.792 weight 1.000 ! spec=HCH_al, no=560, id=3109, vol=1.990000e+06
    or (resid   12 and name   HN) (resid   19 and name HD11)
    or (resid   12 and name   HN) (resid   19 and name HD13)
assign (resid 16 and name HA) (resid 19 and name HD12) 2.187 0.598 2.098 weight 1.000 ! spec=HCH_al, no=566, id=3115, vol=2.010000e+07
    or (resid   16 and name   HA) (resid   19 and name HD11)
    or (resid   16 and name   HA) (resid   19 and name HD13)
assign (resid 14 and name HG1) (resid 19 and name HD12) 2.863 1.025 2.525 weight 1.000 ! spec=HCH_al, no=569, id=3118, vol=3.990000e+06
    or (resid   14 and name  HG1) (resid   19 and name HD11)
    or (resid   14 and name  HG1) (resid   19 and name HD13)
assign (resid 14 and name HB2) (resid 19 and name HD12) 2.113 0.558 2.058 weight 1.000 ! spec=HCH_al, no=571, id=3120, vol=2.470000e+07
    or (resid   14 and name  HB2) (resid   19 and name HD11)
    or (resid   14 and name  HB2) (resid   19 and name HD13)
    or (resid   14 and name  HB1) (resid   19 and name HD12)
    or (resid   14 and name  HB1) (resid   19 and name HD11)
    or (resid   14 and name  HB1) (resid   19 and name HD13)
assign (resid 19 and name HD12) (resid 19 and name HB) 2.026 0.513 2.013 weight 1.000 ! spec=HCH_al, no=572, id=3121, vol=3.180000e+07
    or (resid   19 and name HD11) (resid   19 and name   HB)
    or (resid   19 and name HD13) (resid   19 and name   HB)
assign (resid 19 and name HG12) (resid 19 and name HD12) 1.848 0.427 1.927 weight 1.000 ! spec=HCH_al, no=573, id=3122, vol=5.510000e+07
    or (resid   19 and name HG12) (resid   19 and name HD11)
    or (resid   19 and name HG12) (resid   19 and name HD13)
assign (resid 19 and name HD12) (resid 11 and name HB1) 2.480 0.769 2.269 weight 1.000 ! spec=HCH_al, no=575, id=3124, vol=9.450000e+06
    or (resid   19 and name HD11) (resid   11 and name  HB1)
    or (resid   19 and name HD13) (resid   11 and name  HB1)
assign (resid 19 and name HD12) (resid 40 and name HD12) 2.460 0.756 2.256 weight 1.000 ! spec=HCH_al, no=579, id=3127, vol=9.920000e+06
    or (resid   19 and name HD12) (resid   40 and name HD11)
    or (resid   19 and name HD12) (resid   40 and name HD13)
    or (resid   19 and name HD11) (resid   40 and name HD12)
    or (resid   19 and name HD11) (resid   40 and name HD11)
    or (resid   19 and name HD11) (resid   40 and name HD13)
    or (resid   19 and name HD13) (resid   40 and name HD12)
    or (resid   19 and name HD13) (resid   40 and name HD11)
    or (resid   19 and name HD13) (resid   40 and name HD13)
assign (resid 24 and name HN) (resid 20 and name HA) 3.039 1.154 2.654 weight 1.000 ! spec=HCH_al, no=580, id=3128, vol=2.790000e+06
assign (resid 20 and name HN) (resid 20 and name HA) 2.500 0.781 2.281 weight 1.000 ! spec=HCH_al, no=581, id=3129, vol=9.000000e+06
assign (resid 23 and name HN) (resid 20 and name HA) 2.610 0.851 2.351 weight 1.000 ! spec=HCH_al, no=582, id=3130, vol=6.960000e+06
assign (resid 22 and name HN) (resid 20 and name HA) 3.409 1.453 2.953 weight 1.000 ! spec=HCH_al, no=583, id=3131, vol=1.400000e+06
assign (resid 20 and name HA) (resid 58 and name HE1) 3.307 1.367 2.867 weight 1.000 ! spec=HCH_al, no=584, id=3132, vol=1.680000e+06
    or (resid   20 and name   HA) (resid   58 and name  HE2)
assign (resid 20 and name HA) (resid 19 and name HA) 3.417 1.460 2.96 weight 1.000 ! spec=HCH_al, no=586, id=3133, vol=1.380000e+06
assign (resid 20 and name HA) (resid 23 and name HB2) 2.520 0.794 2.294 weight 1.000 ! spec=HCH_al, no=587, id=3134, vol=8.580000e+06
assign (resid 20 and name HA) (resid 23 and name HG) 2.808 0.986 2.486 weight 1.000 ! spec=HCH_al, no=588, id=3135, vol=4.480000e+06
assign (resid 20 and name HA) (resid 23 and name HB1) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=590, id=3137, vol=4.970000e+06
assign (resid 20 and name HA) (resid 23 and name HD22) 2.161 0.584 2.084 weight 1.000 ! spec=HCH_al, no=591, id=3138, vol=2.160000e+07
    or (resid   20 and name   HA) (resid   23 and name HD21)
    or (resid   20 and name   HA) (resid   23 and name HD23)
assign (resid 20 and name HN) (resid 20 and name HB2) 1.940 0.471 1.971 weight 1.000 ! spec=HCH_al, no=593, id=3140, vol=4.120000e+07
    or (resid   20 and name   HN) (resid   20 and name  HB1)
    or (resid   20 and name   HN) (resid   20 and name  HB3)
assign (resid 21 and name HN) (resid 20 and name HB2) 2.100 0.551 2.051 weight 1.000 ! spec=HCH_al, no=594, id=3141, vol=2.560000e+07
    or (resid   21 and name   HN) (resid   20 and name  HB1)
    or (resid   21 and name   HN) (resid   20 and name  HB3)
assign (resid 20 and name HB2) (resid 68 and name HZ) 2.334 0.681 2.181 weight 1.000 ! spec=HCH_al, no=595, id=3142, vol=1.360000e+07
    or (resid   20 and name  HB1) (resid   68 and name   HZ)
    or (resid   20 and name  HB3) (resid   68 and name   HZ)
assign (resid 20 and name HB2) (resid 24 and name HE1) 2.380 0.708 2.208 weight 1.000 ! spec=HCH_al, no=597, id=3144, vol=1.210000e+07
    or (resid   20 and name  HB2) (resid   24 and name  HE2)
    or (resid   20 and name  HB1) (resid   24 and name  HE1)
    or (resid   20 and name  HB1) (resid   24 and name  HE2)
    or (resid   20 and name  HB3) (resid   24 and name  HE1)
    or (resid   20 and name  HB3) (resid   24 and name  HE2)
assign (resid 20 and name HB2) (resid 58 and name HE1) 2.024 0.512 2.012 weight 1.000 ! spec=HCH_al, no=598, id=3145, vol=3.200000e+07
    or (resid   20 and name  HB2) (resid   58 and name  HE2)
    or (resid   20 and name  HB1) (resid   58 and name  HE1)
    or (resid   20 and name  HB1) (resid   58 and name  HE2)
    or (resid   20 and name  HB3) (resid   58 and name  HE1)
    or (resid   20 and name  HB3) (resid   58 and name  HE2)
assign (resid 17 and name HA) (resid 20 and name HB2) 2.176 0.592 2.092 weight 1.000 ! spec=HCH_al, no=599, id=3146, vol=2.070000e+07
    or (resid   17 and name   HA) (resid   20 and name  HB1)
    or (resid   17 and name   HA) (resid   20 and name  HB3)
assign (resid 20 and name HA) (resid 20 and name HB2) 1.981 0.490 1.99 weight 1.000 ! spec=HCH_al, no=600, id=3147, vol=3.640000e+07
    or (resid   20 and name   HA) (resid   20 and name  HB1)
    or (resid   20 and name   HA) (resid   20 and name  HB3)
assign (resid 20 and name HB2) (resid 76 and name HB2) 3.272 1.339 2.839 weight 1.000 ! spec=HCH_al, no=601, id=3148, vol=1.790000e+06
    or (resid   20 and name  HB2) (resid   76 and name  HB1)
    or (resid   20 and name  HB1) (resid   76 and name  HB2)
    or (resid   20 and name  HB1) (resid   76 and name  HB1)
    or (resid   20 and name  HB3) (resid   76 and name  HB2)
    or (resid   20 and name  HB3) (resid   76 and name  HB1)
assign (resid 20 and name HB2) (resid 17 and name HB) 2.977 1.108 2.608 weight 1.000 ! spec=HCH_al, no=602, id=3149, vol=3.160000e+06
    or (resid   20 and name  HB1) (resid   17 and name   HB)
    or (resid   20 and name  HB3) (resid   17 and name   HB)
assign (resid 20 and name HB2) (resid 17 and name HG22) 2.355 0.693 2.193 weight 1.000 ! spec=HCH_al, no=604, id=3151, vol=1.290000e+07
    or (resid   20 and name  HB2) (resid   17 and name HG21)
    or (resid   20 and name  HB2) (resid   17 and name HG23)
    or (resid   20 and name  HB2) (resid   17 and name HG12)
    or (resid   20 and name  HB2) (resid   17 and name HG11)
    or (resid   20 and name  HB2) (resid   17 and name HG13)
    or (resid   20 and name  HB1) (resid   17 and name HG22)
    or (resid   20 and name  HB1) (resid   17 and name HG21)
    or (resid   20 and name  HB1) (resid   17 and name HG23)
    or (resid   20 and name  HB1) (resid   17 and name HG12)
    or (resid   20 and name  HB1) (resid   17 and name HG11)
    or (resid   20 and name  HB1) (resid   17 and name HG13)
    or (resid   20 and name  HB3) (resid   17 and name HG22)
    or (resid   20 and name  HB3) (resid   17 and name HG21)
    or (resid   20 and name  HB3) (resid   17 and name HG23)
    or (resid   20 and name  HB3) (resid   17 and name HG12)
    or (resid   20 and name  HB3) (resid   17 and name HG11)
    or (resid   20 and name  HB3) (resid   17 and name HG13)
assign (resid 20 and name HB2) (resid 40 and name HD12) 2.078 0.540 2.04 weight 1.000 ! spec=HCH_al, no=606, id=3153, vol=2.730000e+07
    or (resid   20 and name  HB2) (resid   40 and name HD11)
    or (resid   20 and name  HB2) (resid   40 and name HD13)
    or (resid   20 and name  HB1) (resid   40 and name HD12)
    or (resid   20 and name  HB1) (resid   40 and name HD11)
    or (resid   20 and name  HB1) (resid   40 and name HD13)
    or (resid   20 and name  HB3) (resid   40 and name HD12)
    or (resid   20 and name  HB3) (resid   40 and name HD11)
    or (resid   20 and name  HB3) (resid   40 and name HD13)
assign (resid 20 and name HB2) (resid 62 and name HD12) 2.286 0.653 2.153 weight 1.000 ! spec=HCH_al, no=607, id=3154, vol=1.540000e+07
    or (resid   20 and name  HB2) (resid   62 and name HD11)
    or (resid   20 and name  HB2) (resid   62 and name HD13)
    or (resid   20 and name  HB1) (resid   62 and name HD12)
    or (resid   20 and name  HB1) (resid   62 and name HD11)
    or (resid   20 and name  HB1) (resid   62 and name HD13)
    or (resid   20 and name  HB3) (resid   62 and name HD12)
    or (resid   20 and name  HB3) (resid   62 and name HD11)
    or (resid   20 and name  HB3) (resid   62 and name HD13)
assign (resid 24 and name HN) (resid 21 and name HA) 3.059 1.170 2.67 weight 1.000 ! spec=HCH_al, no=608, id=3155, vol=2.680000e+06
assign (resid 21 and name HN) (resid 21 and name HA) 2.467 0.761 2.261 weight 1.000 ! spec=HCH_al, no=609, id=3156, vol=9.750000e+06
assign (resid 21 and name HA) (resid 25 and name HN) 3.401 1.446 2.946 weight 1.000 ! spec=HCH_al, no=610, id=3157, vol=1.420000e+06
assign (resid 21 and name HA) (resid 68 and name HZ) 2.548 0.811 2.311 weight 1.000 ! spec=HCH_al, no=612, id=3159, vol=8.040000e+06
assign (resid 21 and name HA) (resid 68 and name HE1) 2.682 0.899 2.399 weight 1.000 ! spec=HCH_al, no=613, id=3160, vol=5.900000e+06
    or (resid   21 and name   HA) (resid   68 and name  HE2)
assign (resid 21 and name HA) (resid 21 and name HD2) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=614, id=3161, vol=4.530000e+06
assign (resid 21 and name HA) (resid 17 and name HG22) 3.430 1.471 2.971 weight 1.000 ! spec=HCH_al, no=617, id=3164, vol=1.350000e+06
    or (resid   21 and name   HA) (resid   17 and name HG21)
    or (resid   21 and name   HA) (resid   17 and name HG23)
    or (resid   21 and name   HA) (resid   17 and name HG12)
    or (resid   21 and name   HA) (resid   17 and name HG11)
    or (resid   21 and name   HA) (resid   17 and name HG13)
assign (resid 21 and name HA) (resid 78 and name HD12) 3.212 1.290 2.79 weight 1.000 ! spec=HCH_al, no=618, id=3165, vol=2.000000e+06
    or (resid   21 and name   HA) (resid   78 and name HD11)
    or (resid   21 and name   HA) (resid   78 and name HD13)
assign (resid 21 and name HA) (resid 78 and name HG) 3.426 1.467 2.967 weight 1.000 ! spec=HCH_al, no=619, id=3166, vol=1.360000e+06
assign (resid 21 and name HN) (resid 21 and name HB2) 2.501 0.782 2.282 weight 1.000 ! spec=HCH_al, no=621, id=3168, vol=8.980000e+06
assign (resid 21 and name HB2) (resid 68 and name HZ) 3.046 1.160 2.66 weight 1.000 ! spec=HCH_al, no=623, id=3170, vol=2.750000e+06
assign (resid 21 and name HB2) (resid 68 and name HE1) 3.378 1.426 2.926 weight 1.000 ! spec=HCH_al, no=624, id=3171, vol=1.480000e+06
    or (resid   21 and name  HB2) (resid   68 and name  HE2)
assign (resid 21 and name HB2) (resid 21 and name HD2) 3.204 1.284 2.784 weight 1.000 ! spec=HCH_al, no=625, id=3172, vol=2.030000e+06
assign (resid 21 and name HB1) (resid 22 and name HN) 2.798 0.979 2.479 weight 1.000 ! spec=HCH_al, no=627, id=3174, vol=4.580000e+06
assign (resid 21 and name HB1) (resid 68 and name HZ) 2.964 1.098 2.598 weight 1.000 ! spec=HCH_al, no=628, id=3175, vol=3.240000e+06
assign (resid 21 and name HB1) (resid 68 and name HE1) 3.246 1.317 2.817 weight 1.000 ! spec=HCH_al, no=629, id=3176, vol=1.880000e+06
    or (resid   21 and name  HB1) (resid   68 and name  HE2)
assign (resid 21 and name HB1) (resid 21 and name HD2) 3.061 1.172 2.672 weight 1.000 ! spec=HCH_al, no=630, id=3177, vol=2.670000e+06
assign (resid 21 and name HB1) (resid 21 and name HA) 2.776 0.963 2.463 weight 1.000 ! spec=HCH_al, no=632, id=3179, vol=4.800000e+06
assign (resid 21 and name HB1) (resid 21 and name HB2) 2.253 0.635 2.135 weight 1.000 ! spec=HCH_al, no=633, id=3180, vol=1.680000e+07
assign (resid 21 and name HB1) (resid 17 and name HG22) 3.600 1.620 3.12 weight 1.000 ! spec=HCH_al, no=635, id=3181, vol=1.010000e+06
    or (resid   21 and name  HB1) (resid   17 and name HG21)
    or (resid   21 and name  HB1) (resid   17 and name HG23)
    or (resid   21 and name  HB1) (resid   17 and name HG12)
    or (resid   21 and name  HB1) (resid   17 and name HG11)
    or (resid   21 and name  HB1) (resid   17 and name HG13)
assign (resid 22 and name HA) (resid 24 and name HN) 3.554 1.579 3.079 weight 1.000 ! spec=HCH_al, no=636, id=3182, vol=1.090000e+06
assign (resid 23 and name HN) (resid 22 and name HA) 2.771 0.959 2.459 weight 1.000 ! spec=HCH_al, no=637, id=3183, vol=4.860000e+06
assign (resid 22 and name HN) (resid 22 and name HA) 2.445 0.747 2.247 weight 1.000 ! spec=HCH_al, no=639, id=3185, vol=1.030000e+07
assign (resid 22 and name HA) (resid 21 and name HB1) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=640, id=3186, vol=1.550000e+06
assign (resid 22 and name HB2) (resid 22 and name HN) 2.397 0.718 2.218 weight 1.000 ! spec=HCH_al, no=645, id=3191, vol=1.160000e+07
    or (resid   22 and name  HB1) (resid   22 and name   HN)
assign (resid 22 and name HB2) (resid 22 and name HA) 2.141 0.573 2.073 weight 1.000 ! spec=HCH_al, no=647, id=3192, vol=2.280000e+07
    or (resid   22 and name  HB1) (resid   22 and name   HA)
assign (resid 22 and name HB2) (resid 19 and name HA) 2.857 1.020 2.52 weight 1.000 ! spec=HCH_al, no=648, id=3193, vol=4.040000e+06
    or (resid   22 and name  HB1) (resid   19 and name   HA)
assign (resid 22 and name HB2) (resid 3 and name HD12) 2.461 0.757 2.257 weight 1.000 ! spec=HCH_al, no=649, id=3194, vol=9.890000e+06
    or (resid   22 and name  HB2) (resid    3 and name HD11)
    or (resid   22 and name  HB2) (resid    3 and name HD13)
    or (resid   22 and name  HB1) (resid    3 and name HD12)
    or (resid   22 and name  HB1) (resid    3 and name HD11)
    or (resid   22 and name  HB1) (resid    3 and name HD13)
assign (resid 23 and name HN) (resid 22 and name HG2) 3.003 1.127 2.627 weight 1.000 ! spec=HCH_al, no=650, id=3195, vol=3.000000e+06
assign (resid 22 and name HN) (resid 22 and name HG2) 2.373 0.704 2.204 weight 1.000 ! spec=HCH_al, no=651, id=3196, vol=1.230000e+07
assign (resid 22 and name HG2) (resid 6 and name HE1) 3.310 1.370 2.87 weight 1.000 ! spec=HCH_al, no=652, id=3197, vol=1.670000e+06
    or (resid   22 and name  HG2) (resid    6 and name  HE2)
assign (resid 22 and name HG2) (resid 3 and name HB) 3.443 1.482 2.982 weight 1.000 ! spec=HCH_al, no=658, id=3201, vol=1.320000e+06
assign (resid 23 and name HN) (resid 22 and name HG1) 2.954 1.091 2.591 weight 1.000 ! spec=HCH_al, no=660, id=3203, vol=3.310000e+06
assign (resid 22 and name HG1) (resid 19 and name HA) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=663, id=3206, vol=2.900000e+06
assign (resid 22 and name HG1) (resid 22 and name HG2) 1.888 0.446 1.946 weight 1.000 ! spec=HCH_al, no=664, id=3207, vol=4.850000e+07
assign (resid 23 and name HD22) (resid 27 and name HD2) 3.301 1.362 2.862 weight 1.000 ! spec=HCH_al, no=677, id=3212, vol=1.700000e+06
    or (resid   23 and name HD21) (resid   27 and name  HD2)
    or (resid   23 and name HD23) (resid   27 and name  HD2)
assign (resid 23 and name HD22) (resid 40 and name HA) 2.761 0.953 2.453 weight 1.000 ! spec=HCH_al, no=678, id=3213, vol=4.960000e+06
    or (resid   23 and name HD21) (resid   40 and name   HA)
    or (resid   23 and name HD23) (resid   40 and name   HA)
assign (resid 24 and name HN) (resid 24 and name HB2) 2.654 0.880 2.38 weight 1.000 ! spec=HCH_al, no=682, id=3216, vol=6.290000e+06
assign (resid 25 and name HN) (resid 24 and name HB2) 3.027 1.145 2.645 weight 1.000 ! spec=HCH_al, no=684, id=3218, vol=2.860000e+06
assign (resid 24 and name HB2) (resid 25 and name HA) 3.668 1.681 3.181 weight 1.000 ! spec=HCH_al, no=687, id=3221, vol=9.030000e+05
assign (resid 24 and name HB2) (resid 25 and name HB2) 3.688 1.701 3.201 weight 1.000 ! spec=HCH_al, no=691, id=3224, vol=8.730000e+05
    or (resid   24 and name  HB2) (resid   25 and name  HB1)
assign (resid 24 and name HB2) (resid 78 and name HB2) 3.848 1.851 3.351 weight 1.000 ! spec=HCH_al, no=692, id=3225, vol=6.770000e+05
assign (resid 24 and name HB2) (resid 78 and name HD12) 2.652 0.879 2.379 weight 1.000 ! spec=HCH_al, no=693, id=3226, vol=6.320000e+06
    or (resid   24 and name  HB2) (resid   78 and name HD11)
    or (resid   24 and name  HB2) (resid   78 and name HD13)
assign (resid 24 and name HB2) (resid 78 and name HG) 2.929 1.072 2.572 weight 1.000 ! spec=HCH_al, no=694, id=3227, vol=3.480000e+06
assign (resid 24 and name HN) (resid 24 and name HB1) 2.581 0.833 2.333 weight 1.000 ! spec=HCH_al, no=697, id=3230, vol=7.440000e+06
assign (resid 25 and name HN) (resid 24 and name HB1) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=698, id=3231, vol=3.740000e+06
assign (resid 24 and name HB1) (resid 81 and name HH2) 3.252 1.322 2.822 weight 1.000 ! spec=HCH_al, no=700, id=3232, vol=1.860000e+06
assign (resid 24 and name HB1) (resid 24 and name HA) 2.841 1.009 2.509 weight 1.000 ! spec=HCH_al, no=701, id=3233, vol=4.180000e+06
assign (resid 24 and name HB1) (resid 21 and name HA) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_al, no=702, id=3234, vol=2.210000e+06
assign (resid 24 and name HB2) (resid 24 and name HB1) 2.294 0.658 2.158 weight 1.000 ! spec=HCH_al, no=703, id=3235, vol=1.510000e+07
assign (resid 24 and name HB1) (resid 78 and name HD12) 2.674 0.894 2.394 weight 1.000 ! spec=HCH_al, no=704, id=3236, vol=6.010000e+06
    or (resid   24 and name  HB1) (resid   78 and name HD11)
    or (resid   24 and name  HB1) (resid   78 and name HD13)
assign (resid 24 and name HB1) (resid 78 and name HG) 2.998 1.123 2.623 weight 1.000 ! spec=HCH_al, no=705, id=3237, vol=3.030000e+06
assign (resid 24 and name HB1) (resid 78 and name HB1) 4.051 2.052 3.552 weight 1.000 ! spec=HCH_al, no=707, id=3239, vol=4.970000e+05
assign (resid 25 and name HN) (resid 25 and name HA) 2.323 0.674 2.174 weight 1.000 ! spec=HCH_al, no=708, id=3240, vol=1.400000e+07
assign (resid 26 and name HN) (resid 25 and name HA) 2.957 1.093 2.593 weight 1.000 ! spec=HCH_al, no=709, id=3241, vol=3.290000e+06
assign (resid 25 and name HA) (resid 81 and name HZ2) 2.747 0.944 2.444 weight 1.000 ! spec=HCH_al, no=710, id=3242, vol=5.110000e+06
assign (resid 25 and name HA) (resid 28 and name HG2) 2.922 1.067 2.567 weight 1.000 ! spec=HCH_al, no=714, id=3245, vol=3.530000e+06
    or (resid   25 and name   HA) (resid   28 and name  HG1)
assign (resid 25 and name HN) (resid 25 and name HG2) 2.453 0.752 2.252 weight 1.000 ! spec=HCH_al, no=719, id=3250, vol=1.010000e+07
    or (resid   25 and name   HN) (resid   25 and name  HG1)
assign (resid 25 and name HA) (resid 25 and name HG2) 2.578 0.831 2.331 weight 1.000 ! spec=HCH_al, no=721, id=3252, vol=7.480000e+06
    or (resid   25 and name   HA) (resid   25 and name  HG1)
assign (resid 26 and name HB2) (resid 27 and name HN) 2.619 0.857 2.357 weight 1.000 ! spec=HCH_al, no=728, id=3254, vol=6.810000e+06
assign (resid 26 and name HB2) (resid 26 and name HA) 2.164 0.585 2.085 weight 1.000 ! spec=HCH_al, no=730, id=3256, vol=2.140000e+07
assign (resid 26 and name HB1) (resid 26 and name HN) 2.246 0.631 2.131 weight 1.000 ! spec=HCH_al, no=732, id=3258, vol=1.710000e+07
assign (resid 28 and name HN) (resid 27 and name HB2) 3.167 1.253 2.753 weight 1.000 ! spec=HCH_al, no=738, id=3260, vol=2.180000e+06
assign (resid 27 and name HN) (resid 27 and name HB2) 2.532 0.801 2.301 weight 1.000 ! spec=HCH_al, no=739, id=3261, vol=8.340000e+06
assign (resid 29 and name HN) (resid 27 and name HB2) 2.837 1.006 2.506 weight 1.000 ! spec=HCH_al, no=740, id=3262, vol=4.220000e+06
assign (resid 27 and name HB2) (resid 27 and name HD2) 2.910 1.058 2.558 weight 1.000 ! spec=HCH_al, no=741, id=3263, vol=3.620000e+06
assign (resid 28 and name HN) (resid 27 and name HB1) 3.073 1.180 2.68 weight 1.000 ! spec=HCH_al, no=747, id=3268, vol=2.610000e+06
assign (resid 27 and name HB1) (resid 27 and name HN) 2.688 0.903 2.403 weight 1.000 ! spec=HCH_al, no=748, id=3269, vol=5.830000e+06
assign (resid 27 and name HB1) (resid 24 and name HA) 3.093 1.196 2.696 weight 1.000 ! spec=HCH_al, no=749, id=3270, vol=2.510000e+06
assign (resid 27 and name HB1) (resid 27 and name HA) 2.558 0.818 2.318 weight 1.000 ! spec=HCH_al, no=750, id=3271, vol=7.850000e+06
assign (resid 29 and name HD2) (resid 27 and name HB1) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=752, id=3272, vol=2.900000e+06
    or (resid   29 and name  HD1) (resid   27 and name  HB1)
assign (resid 28 and name HN) (resid 28 and name HB2) 3.121 1.217 2.717 weight 1.000 ! spec=HCH_al, no=766, id=3274, vol=2.380000e+06
assign (resid 40 and name HG12) (resid 41 and name HN) 3.197 1.277 2.777 weight 1.000 ! spec=HCH_al, no=767, id=3275, vol=2.060000e+06
assign (resid 28 and name HB2) (resid 29 and name HN) 3.443 1.482 2.982 weight 1.000 ! spec=HCH_al, no=768, id=3276, vol=1.320000e+06
assign (resid 28 and name HB2) (resid 28 and name HA) 2.668 0.889 2.389 weight 1.000 ! spec=HCH_al, no=769, id=3277, vol=6.100000e+06
assign (resid 40 and name HG12) (resid 23 and name HD22) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=772, id=3279, vol=1.150000e+07
    or (resid   40 and name HG12) (resid   23 and name HD21)
    or (resid   40 and name HG12) (resid   23 and name HD23)
assign (resid 28 and name HB1) (resid 28 and name HA) 2.600 0.845 2.345 weight 1.000 ! spec=HCH_al, no=773, id=3280, vol=7.110000e+06
assign (resid 28 and name HB1) (resid 28 and name HG2) 2.334 0.681 2.181 weight 1.000 ! spec=HCH_al, no=775, id=3281, vol=1.360000e+07
    or (resid   28 and name  HB1) (resid   28 and name  HG1)
assign (resid 81 and name HE1) (resid 28 and name HG2) 3.192 1.273 2.773 weight 1.000 ! spec=HCH_al, no=776, id=3282, vol=2.080000e+06
    or (resid   81 and name  HE1) (resid   28 and name  HG1)
assign (resid 28 and name HN) (resid 28 and name HG2) 2.666 0.889 2.389 weight 1.000 ! spec=HCH_al, no=777, id=3283, vol=6.120000e+06
    or (resid   28 and name   HN) (resid   28 and name  HG1)
assign (resid 28 and name HG2) (resid 27 and name HN) 3.257 1.326 2.826 weight 1.000 ! spec=HCH_al, no=778, id=3284, vol=1.840000e+06
    or (resid   28 and name  HG1) (resid   27 and name   HN)
assign (resid 28 and name HG2) (resid 81 and name HZ2) 3.112 1.211 2.711 weight 1.000 ! spec=HCH_al, no=779, id=3285, vol=2.420000e+06
    or (resid   28 and name  HG1) (resid   81 and name  HZ2)
assign (resid 29 and name HN) (resid 28 and name HG2) 3.243 1.315 2.815 weight 1.000 ! spec=HCH_al, no=780, id=3286, vol=1.890000e+06
    or (resid   29 and name   HN) (resid   28 and name  HG1)
assign (resid 28 and name HG2) (resid 28 and name HA) 2.501 0.782 2.282 weight 1.000 ! spec=HCH_al, no=783, id=3289, vol=8.980000e+06
    or (resid   28 and name  HG1) (resid   28 and name   HA)
assign (resid 28 and name HG2) (resid 28 and name HE2) 2.457 0.754 2.254 weight 1.000 ! spec=HCH_al, no=784, id=3290, vol=1.000000e+07
    or (resid   28 and name  HG2) (resid   28 and name  HE1)
    or (resid   28 and name  HG1) (resid   28 and name  HE2)
    or (resid   28 and name  HG1) (resid   28 and name  HE1)
assign (resid 28 and name HB2) (resid 28 and name HG2) 2.304 0.663 2.163 weight 1.000 ! spec=HCH_al, no=785, id=3291, vol=1.470000e+07
    or (resid   28 and name  HB2) (resid   28 and name  HG1)
assign (resid 28 and name HD1) (resid 28 and name HN) 3.465 1.501 3.001 weight 1.000 ! spec=HCH_al, no=789, id=3294, vol=1.270000e+06
assign (resid 28 and name HD1) (resid 28 and name HD2) 1.674 0.350 1.85 weight 1.000 ! spec=HCH_al, no=790, id=3295, vol=9.980000e+07
assign (resid 29 and name HN) (resid 29 and name HB2) 2.880 1.037 2.537 weight 1.000 ! spec=HCH_al, no=801, id=3296, vol=3.850000e+06
assign (resid 29 and name HB2) (resid 30 and name HD2) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=802, id=3297, vol=4.050000e+06
assign (resid 29 and name HB2) (resid 30 and name HD1) 2.745 0.942 2.442 weight 1.000 ! spec=HCH_al, no=803, id=3298, vol=5.140000e+06
assign (resid 29 and name HB2) (resid 27 and name HB2) 3.781 1.787 3.287 weight 1.000 ! spec=HCH_al, no=804, id=3299, vol=7.520000e+05
assign (resid 29 and name HB2) (resid 29 and name HE2) 3.474 1.509 3.009 weight 1.000 ! spec=HCH_al, no=805, id=3300, vol=1.250000e+06
    or (resid   29 and name  HB2) (resid   29 and name  HE1)
assign (resid 5 and name HG1) (resid 11 and name HD22) 3.484 1.517 3.017 weight 1.000 ! spec=HCH_al, no=808, id=3303, vol=1.230000e+06
    or (resid    5 and name  HG1) (resid   11 and name HD21)
    or (resid    5 and name  HG1) (resid   11 and name HD23)
assign (resid 29 and name HN) (resid 29 and name HB1) 2.785 0.970 2.47 weight 1.000 ! spec=HCH_al, no=809, id=3304, vol=4.710000e+06
assign (resid 29 and name HB1) (resid 29 and name HA) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=810, id=3305, vol=6.360000e+06
assign (resid 29 and name HB1) (resid 30 and name HD1) 2.743 0.941 2.441 weight 1.000 ! spec=HCH_al, no=811, id=3306, vol=5.160000e+06
assign (resid 29 and name HB1) (resid 29 and name HG2) 2.198 0.604 2.104 weight 1.000 ! spec=HCH_al, no=816, id=3309, vol=1.950000e+07
    or (resid   29 and name  HB1) (resid   29 and name  HG1)
assign (resid 29 and name HN) (resid 29 and name HG2) 2.778 0.965 2.465 weight 1.000 ! spec=HCH_al, no=818, id=3311, vol=4.780000e+06
    or (resid   29 and name   HN) (resid   29 and name  HG1)
assign (resid 29 and name HG2) (resid 30 and name HD2) 3.202 1.281 2.781 weight 1.000 ! spec=HCH_al, no=820, id=3313, vol=2.040000e+06
    or (resid   29 and name  HG1) (resid   30 and name  HD2)
assign (resid 29 and name HG2) (resid 27 and name HB2) 3.366 1.417 2.917 weight 1.000 ! spec=HCH_al, no=822, id=3315, vol=1.510000e+06
    or (resid   29 and name  HG1) (resid   27 and name  HB2)
assign (resid 29 and name HG2) (resid 27 and name HB1) 3.069 1.177 2.677 weight 1.000 ! spec=HCH_al, no=823, id=3316, vol=2.630000e+06
    or (resid   29 and name  HG1) (resid   27 and name  HB1)
assign (resid 29 and name HG2) (resid 29 and name HE2) 2.445 0.747 2.247 weight 1.000 ! spec=HCH_al, no=824, id=3317, vol=1.030000e+07
    or (resid   29 and name  HG2) (resid   29 and name  HE1)
    or (resid   29 and name  HG1) (resid   29 and name  HE2)
    or (resid   29 and name  HG1) (resid   29 and name  HE1)
assign (resid 29 and name HB2) (resid 29 and name HG2) 2.265 0.641 2.141 weight 1.000 ! spec=HCH_al, no=825, id=3318, vol=1.630000e+07
    or (resid   29 and name  HB2) (resid   29 and name  HG1)
assign (resid 31 and name HN) (resid 30 and name HA) 2.112 0.557 2.057 weight 1.000 ! spec=HCH_al, no=833, id=3322, vol=2.480000e+07
assign (resid 76 and name HN) (resid 30 and name HA) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=834, id=3323, vol=2.470000e+06
assign (resid 30 and name HA) (resid 81 and name HH2) 3.097 1.199 2.699 weight 1.000 ! spec=HCH_al, no=836, id=3325, vol=2.490000e+06
assign (resid 30 and name HA) (resid 81 and name HZ3) 2.755 0.949 2.449 weight 1.000 ! spec=HCH_al, no=837, id=3326, vol=5.030000e+06
assign (resid 30 and name HA) (resid 29 and name HA) 3.385 1.433 2.933 weight 1.000 ! spec=HCH_al, no=839, id=3327, vol=1.460000e+06
assign (resid 30 and name HA) (resid 77 and name HA2) 3.157 1.246 2.746 weight 1.000 ! spec=HCH_al, no=842, id=3330, vol=2.220000e+06
assign (resid 30 and name HA) (resid 30 and name HB2) 2.386 0.712 2.212 weight 1.000 ! spec=HCH_al, no=843, id=3331, vol=1.190000e+07
assign (resid 30 and name HA) (resid 30 and name HB1) 2.449 0.749 2.249 weight 1.000 ! spec=HCH_al, no=845, id=3333, vol=1.020000e+07
assign (resid 31 and name HN) (resid 30 and name HB2) 2.814 0.990 2.49 weight 1.000 ! spec=HCH_al, no=848, id=3336, vol=4.430000e+06
assign (resid 30 and name HB2) (resid 30 and name HD2) 2.629 0.864 2.364 weight 1.000 ! spec=HCH_al, no=852, id=3340, vol=6.650000e+06
assign (resid 30 and name HB2) (resid 77 and name HA2) 3.112 1.211 2.711 weight 1.000 ! spec=HCH_al, no=853, id=3341, vol=2.420000e+06
assign (resid 31 and name HN) (resid 30 and name HB1) 2.883 1.039 2.539 weight 1.000 ! spec=HCH_al, no=856, id=3343, vol=3.830000e+06
assign (resid 30 and name HB1) (resid 31 and name HA) 3.661 1.675 3.175 weight 1.000 ! spec=HCH_al, no=860, id=3347, vol=9.130000e+05
assign (resid 30 and name HB1) (resid 29 and name HA) 3.426 1.467 2.967 weight 1.000 ! spec=HCH_al, no=861, id=3348, vol=1.360000e+06
assign (resid 30 and name HB1) (resid 30 and name HG2) 2.207 0.609 2.109 weight 1.000 ! spec=HCH_al, no=862, id=3349, vol=1.900000e+07
assign (resid 30 and name HB1) (resid 71 and name HD22) 3.465 1.501 3.001 weight 1.000 ! spec=HCH_al, no=865, id=3352, vol=1.270000e+06
    or (resid   30 and name  HB1) (resid   71 and name HD21)
    or (resid   30 and name  HB1) (resid   71 and name HD23)
assign (resid 30 and name HG2) (resid 81 and name HE3) 3.243 1.315 2.815 weight 1.000 ! spec=HCH_al, no=868, id=3355, vol=1.890000e+06
assign (resid 30 and name HG2) (resid 30 and name HA) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=872, id=3359, vol=4.850000e+06
assign (resid 32 and name HG2) (resid 32 and name HA) 2.694 0.907 2.407 weight 1.000 ! spec=HCH_al, no=873, id=3360, vol=5.750000e+06
assign (resid 32 and name HG2) (resid 75 and name HG21) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=879, id=3366, vol=9.480000e+06
    or (resid   32 and name  HG2) (resid   75 and name HG22)
    or (resid   32 and name  HG2) (resid   75 and name HG23)
assign (resid 30 and name HG2) (resid 71 and name HD12) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_al, no=880, id=3367, vol=9.300000e+06
    or (resid   30 and name  HG2) (resid   71 and name HD11)
    or (resid   30 and name  HG2) (resid   71 and name HD13)
assign (resid 30 and name HG2) (resid 71 and name HD22) 3.091 1.194 2.694 weight 1.000 ! spec=HCH_al, no=881, id=3368, vol=2.520000e+06
    or (resid   30 and name  HG2) (resid   71 and name HD21)
    or (resid   30 and name  HG2) (resid   71 and name HD23)
assign (resid 30 and name HG1) (resid 31 and name HN) 3.291 1.354 2.854 weight 1.000 ! spec=HCH_al, no=882, id=3369, vol=1.730000e+06
assign (resid 30 and name HG1) (resid 30 and name HA) 2.806 0.984 2.484 weight 1.000 ! spec=HCH_al, no=885, id=3372, vol=4.500000e+06
assign (resid 30 and name HG1) (resid 30 and name HB1) 2.265 0.641 2.141 weight 1.000 ! spec=HCH_al, no=888, id=3375, vol=1.630000e+07
assign (resid 30 and name HG1) (resid 29 and name HB1) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=889, id=3376, vol=2.470000e+06
assign (resid 30 and name HG1) (resid 71 and name HD12) 2.529 0.800 2.3 weight 1.000 ! spec=HCH_al, no=890, id=3377, vol=8.400000e+06
    or (resid   30 and name  HG1) (resid   71 and name HD11)
    or (resid   30 and name  HG1) (resid   71 and name HD13)
assign (resid 30 and name HG1) (resid 71 and name HD22) 3.174 1.259 2.759 weight 1.000 ! spec=HCH_al, no=891, id=3378, vol=2.150000e+06
    or (resid   30 and name  HG1) (resid   71 and name HD21)
    or (resid   30 and name  HG1) (resid   71 and name HD23)
assign (resid 31 and name HN) (resid 31 and name HB) 2.802 0.982 2.482 weight 1.000 ! spec=HCH_al, no=923, id=3379, vol=4.540000e+06
assign (resid 31 and name HB) (resid 31 and name HA) 2.476 0.767 2.267 weight 1.000 ! spec=HCH_al, no=925, id=3381, vol=9.530000e+06
assign (resid 31 and name HB) (resid 32 and name HD2) 2.627 0.863 2.363 weight 1.000 ! spec=HCH_al, no=926, id=3382, vol=6.690000e+06
assign (resid 31 and name HB) (resid 32 and name HD1) 2.640 0.871 2.371 weight 1.000 ! spec=HCH_al, no=927, id=3383, vol=6.490000e+06
assign (resid 33 and name HN) (resid 32 and name HB2) 2.858 1.021 2.521 weight 1.000 ! spec=HCH_al, no=940, id=3385, vol=4.030000e+06
assign (resid 34 and name HN) (resid 32 and name HB2) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=941, id=3386, vol=2.780000e+06
assign (resid 35 and name HN) (resid 32 and name HB2) 2.814 0.990 2.49 weight 1.000 ! spec=HCH_al, no=942, id=3387, vol=4.430000e+06
assign (resid 32 and name HB2) (resid 32 and name HA) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=943, id=3388, vol=1.150000e+07
assign (resid 32 and name HB2) (resid 75 and name HA) 3.150 1.240 2.74 weight 1.000 ! spec=HCH_al, no=944, id=3389, vol=2.250000e+06
assign (resid 32 and name HB2) (resid 32 and name HD2) 2.993 1.119 2.619 weight 1.000 ! spec=HCH_al, no=945, id=3390, vol=3.060000e+06
assign (resid 32 and name HG2) (resid 32 and name HB2) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=948, id=3392, vol=1.320000e+07
assign (resid 32 and name HB2) (resid 32 and name HB1) 1.899 0.451 1.951 weight 1.000 ! spec=HCH_al, no=949, id=3393, vol=4.680000e+07
assign (resid 32 and name HB1) (resid 35 and name HN) 2.635 0.868 2.368 weight 1.000 ! spec=HCH_al, no=951, id=3395, vol=6.560000e+06
assign (resid 32 and name HB1) (resid 32 and name HA) 2.631 0.866 2.366 weight 1.000 ! spec=HCH_al, no=952, id=3396, vol=6.620000e+06
assign (resid 32 and name HB1) (resid 32 and name HD2) 3.063 1.173 2.673 weight 1.000 ! spec=HCH_al, no=955, id=3398, vol=2.660000e+06
assign (resid 32 and name HB1) (resid 32 and name HD1) 2.936 1.078 2.578 weight 1.000 ! spec=HCH_al, no=956, id=3399, vol=3.430000e+06
assign (resid 32 and name HB1) (resid 75 and name HG21) 2.784 0.969 2.469 weight 1.000 ! spec=HCH_al, no=958, id=3401, vol=4.720000e+06
    or (resid   32 and name  HB1) (resid   75 and name HG22)
    or (resid   32 and name  HB1) (resid   75 and name HG23)
assign (resid 34 and name HB2) (resid 35 and name HN) 2.486 0.773 2.273 weight 1.000 ! spec=HCH_al, no=960, id=3403, vol=9.310000e+06
    or (resid   34 and name  HB1) (resid   35 and name   HN)
assign (resid 32 and name HG1) (resid 32 and name HA) 2.696 0.908 2.408 weight 1.000 ! spec=HCH_al, no=961, id=3404, vol=5.730000e+06
assign (resid 32 and name HG1) (resid 32 and name HD2) 2.500 0.781 2.281 weight 1.000 ! spec=HCH_al, no=963, id=3406, vol=9.010000e+06
assign (resid 32 and name HG1) (resid 32 and name HB2) 2.337 0.683 2.183 weight 1.000 ! spec=HCH_al, no=965, id=3408, vol=1.350000e+07
assign (resid 32 and name HG1) (resid 75 and name HG21) 2.555 0.816 2.316 weight 1.000 ! spec=HCH_al, no=966, id=3409, vol=7.910000e+06
    or (resid   32 and name  HG1) (resid   75 and name HG22)
    or (resid   32 and name  HG1) (resid   75 and name HG23)
assign (resid 76 and name HE1) (resid 33 and name HA) 3.081 1.187 2.687 weight 1.000 ! spec=HCH_al, no=981, id=3410, vol=2.570000e+06
assign (resid 33 and name HN) (resid 33 and name HA) 2.565 0.823 2.323 weight 1.000 ! spec=HCH_al, no=982, id=3411, vol=7.710000e+06
assign (resid 34 and name HN) (resid 33 and name HA) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=983, id=3412, vol=2.760000e+06
assign (resid 36 and name HN) (resid 33 and name HA) 3.004 1.128 2.628 weight 1.000 ! spec=HCH_al, no=984, id=3413, vol=2.990000e+06
assign (resid 33 and name HA) (resid 76 and name HD1) 2.691 0.905 2.405 weight 1.000 ! spec=HCH_al, no=985, id=3414, vol=5.790000e+06
assign (resid 33 and name HA) (resid 33 and name HD1) 2.519 0.793 2.293 weight 1.000 ! spec=HCH_al, no=986, id=3415, vol=8.610000e+06
    or (resid   33 and name   HA) (resid   33 and name  HD2)
assign (resid 33 and name HA) (resid 32 and name HA) 3.079 1.185 2.685 weight 1.000 ! spec=HCH_al, no=988, id=3417, vol=2.580000e+06
assign (resid 21 and name HA) (resid 20 and name HA) 3.186 1.269 2.769 weight 1.000 ! spec=HCH_al, no=990, id=3418, vol=2.100000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.449 0.749 2.249 weight 1.000 ! spec=HCH_al, no=991, id=3419, vol=1.020000e+07
assign (resid 33 and name HA) (resid 33 and name HB1) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=992, id=3420, vol=8.220000e+06
assign (resid 33 and name HA) (resid 36 and name HB2) 2.662 0.886 2.386 weight 1.000 ! spec=HCH_al, no=994, id=3422, vol=6.180000e+06
assign (resid 33 and name HA) (resid 36 and name HD22) 2.611 0.852 2.352 weight 1.000 ! spec=HCH_al, no=996, id=3424, vol=6.930000e+06
    or (resid   33 and name   HA) (resid   36 and name HD21)
    or (resid   33 and name   HA) (resid   36 and name HD23)
    or (resid   33 and name   HA) (resid   36 and name HD12)
    or (resid   33 and name   HA) (resid   36 and name HD11)
    or (resid   33 and name   HA) (resid   36 and name HD13)
assign (resid 33 and name HN) (resid 33 and name HB2) 2.633 0.866 2.366 weight 1.000 ! spec=HCH_al, no=998, id=3426, vol=6.600000e+06
assign (resid 34 and name HN) (resid 33 and name HB2) 2.818 0.993 2.493 weight 1.000 ! spec=HCH_al, no=999, id=3427, vol=4.390000e+06
assign (resid 33 and name HB2) (resid 33 and name HD1) 2.658 0.883 2.383 weight 1.000 ! spec=HCH_al, no=1001, id=3429, vol=6.230000e+06
    or (resid   33 and name  HB2) (resid   33 and name  HD2)
assign (resid 33 and name HB2) (resid 33 and name HE1) 3.108 1.207 2.707 weight 1.000 ! spec=HCH_al, no=1002, id=3430, vol=2.440000e+06
    or (resid   33 and name  HB2) (resid   33 and name  HE2)
assign (resid 33 and name HB2) (resid 33 and name HB1) 2.299 0.660 2.16 weight 1.000 ! spec=HCH_al, no=1006, id=3433, vol=1.490000e+07
assign (resid 33 and name HB2) (resid 36 and name HD22) 3.792 1.798 3.298 weight 1.000 ! spec=HCH_al, no=1008, id=3435, vol=7.390000e+05
    or (resid   33 and name  HB2) (resid   36 and name HD21)
    or (resid   33 and name  HB2) (resid   36 and name HD23)
    or (resid   33 and name  HB2) (resid   36 and name HD12)
    or (resid   33 and name  HB2) (resid   36 and name HD11)
    or (resid   33 and name  HB2) (resid   36 and name HD13)
assign (resid 76 and name HE1) (resid 33 and name HB1) 2.964 1.098 2.598 weight 1.000 ! spec=HCH_al, no=1010, id=3437, vol=3.240000e+06
assign (resid 33 and name HN) (resid 33 and name HB1) 2.598 0.844 2.344 weight 1.000 ! spec=HCH_al, no=1012, id=3439, vol=7.150000e+06
assign (resid 34 and name HN) (resid 33 and name HB1) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=1013, id=3440, vol=5.890000e+06
assign (resid 33 and name HB1) (resid 76 and name HD1) 3.037 1.153 2.653 weight 1.000 ! spec=HCH_al, no=1014, id=3441, vol=2.800000e+06
assign (resid 33 and name HB1) (resid 33 and name HD1) 2.627 0.863 2.363 weight 1.000 ! spec=HCH_al, no=1015, id=3442, vol=6.690000e+06
    or (resid   33 and name  HB1) (resid   33 and name  HD2)
assign (resid 33 and name HB1) (resid 33 and name HE1) 3.125 1.221 2.721 weight 1.000 ! spec=HCH_al, no=1016, id=3443, vol=2.360000e+06
    or (resid   33 and name  HB1) (resid   33 and name  HE2)
assign (resid 33 and name HB1) (resid 32 and name HA) 3.366 1.417 2.917 weight 1.000 ! spec=HCH_al, no=1017, id=3444, vol=1.510000e+06
assign (resid 33 and name HB1) (resid 34 and name HA) 3.282 1.346 2.846 weight 1.000 ! spec=HCH_al, no=1019, id=3446, vol=1.760000e+06
assign (resid 33 and name HB1) (resid 34 and name HB2) 3.254 1.324 2.824 weight 1.000 ! spec=HCH_al, no=1023, id=3448, vol=1.850000e+06
    or (resid   33 and name  HB1) (resid   34 and name  HB1)
assign (resid 33 and name HB1) (resid 62 and name HD22) 3.796 1.801 3.301 weight 1.000 ! spec=HCH_al, no=1024, id=3449, vol=7.350000e+05
    or (resid   33 and name  HB1) (resid   62 and name HD21)
    or (resid   33 and name  HB1) (resid   62 and name HD23)
assign (resid 34 and name HA) (resid 33 and name HN) 3.679 1.692 3.192 weight 1.000 ! spec=HCH_al, no=1025, id=3450, vol=8.860000e+05
assign (resid 34 and name HN) (resid 34 and name HA) 2.352 0.691 2.191 weight 1.000 ! spec=HCH_al, no=1026, id=3451, vol=1.300000e+07
assign (resid 37 and name HN) (resid 34 and name HA) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=1027, id=3452, vol=5.090000e+06
assign (resid 38 and name HN) (resid 34 and name HA) 3.085 1.190 2.69 weight 1.000 ! spec=HCH_al, no=1028, id=3453, vol=2.550000e+06
assign (resid 35 and name HN) (resid 34 and name HA) 2.841 1.009 2.509 weight 1.000 ! spec=HCH_al, no=1029, id=3454, vol=4.180000e+06
assign (resid 34 and name HA) (resid 33 and name HD1) 3.304 1.364 2.864 weight 1.000 ! spec=HCH_al, no=1030, id=3455, vol=1.690000e+06
    or (resid   34 and name   HA) (resid   33 and name  HD2)
assign (resid 34 and name HB2) (resid 34 and name HA) 2.135 0.570 2.07 weight 1.000 ! spec=HCH_al, no=1033, id=3457, vol=2.320000e+07
    or (resid   34 and name  HB1) (resid   34 and name   HA)
assign (resid 34 and name HA) (resid 37 and name HB2) 2.533 0.802 2.302 weight 1.000 ! spec=HCH_al, no=1035, id=3459, vol=8.330000e+06
assign (resid 34 and name HA) (resid 37 and name HB1) 2.386 0.712 2.212 weight 1.000 ! spec=HCH_al, no=1036, id=3460, vol=1.190000e+07
assign (resid 34 and name HA) (resid 37 and name HD22) 2.407 0.724 2.224 weight 1.000 ! spec=HCH_al, no=1037, id=3461, vol=1.130000e+07
    or (resid   34 and name   HA) (resid   37 and name HD21)
    or (resid   34 and name   HA) (resid   37 and name HD23)
    or (resid   34 and name   HA) (resid   37 and name HD12)
    or (resid   34 and name   HA) (resid   37 and name HD11)
    or (resid   34 and name   HA) (resid   37 and name HD13)
assign (resid 34 and name HB2) (resid 35 and name HA) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_al, no=1038, id=3462, vol=1.620000e+06
    or (resid   34 and name  HB1) (resid   35 and name   HA)
assign (resid 34 and name HB2) (resid 34 and name HG1) 2.148 0.577 2.077 weight 1.000 ! spec=HCH_al, no=1040, id=3464, vol=2.240000e+07
    or (resid   34 and name  HB1) (resid   34 and name  HG1)
assign (resid 34 and name HG2) (resid 34 and name HN) 2.581 0.833 2.333 weight 1.000 ! spec=HCH_al, no=1041, id=3465, vol=7.440000e+06
assign (resid 34 and name HG2) (resid 34 and name HB2) 2.135 0.570 2.07 weight 1.000 ! spec=HCH_al, no=1045, id=3468, vol=2.320000e+07
    or (resid   34 and name  HG2) (resid   34 and name  HB1)
assign (resid 34 and name HG1) (resid 34 and name HN) 2.481 0.770 2.27 weight 1.000 ! spec=HCH_al, no=1046, id=3469, vol=9.420000e+06
assign (resid 34 and name HG1) (resid 34 and name HA) 2.608 0.850 2.35 weight 1.000 ! spec=HCH_al, no=1049, id=3472, vol=6.990000e+06
assign (resid 36 and name HG) (resid 37 and name HN) 3.141 1.233 2.733 weight 1.000 ! spec=HCH_al, no=1090, id=3482, vol=2.290000e+06
assign (resid 36 and name HG) (resid 58 and name HE1) 3.116 1.214 2.714 weight 1.000 ! spec=HCH_al, no=1092, id=3484, vol=2.400000e+06
    or (resid   36 and name   HG) (resid   58 and name  HE2)
assign (resid 36 and name HG) (resid 36 and name HA) 2.915 1.062 2.562 weight 1.000 ! spec=HCH_al, no=1093, id=3485, vol=3.580000e+06
assign (resid 36 and name HG) (resid 36 and name HD22) 2.238 0.626 2.126 weight 1.000 ! spec=HCH_al, no=1094, id=3486, vol=1.750000e+07
    or (resid   36 and name   HG) (resid   36 and name HD21)
    or (resid   36 and name   HG) (resid   36 and name HD23)
    or (resid   36 and name   HG) (resid   36 and name HD12)
    or (resid   36 and name   HG) (resid   36 and name HD11)
    or (resid   36 and name   HG) (resid   36 and name HD13)
assign (resid 36 and name HG) (resid 40 and name HD12) 2.820 0.994 2.494 weight 1.000 ! spec=HCH_al, no=1095, id=3487, vol=4.370000e+06
    or (resid   36 and name   HG) (resid   40 and name HD11)
    or (resid   36 and name   HG) (resid   40 and name HD13)
assign (resid 40 and name HN) (resid 37 and name HA) 2.810 0.987 2.487 weight 1.000 ! spec=HCH_al, no=1096, id=3488, vol=4.460000e+06
assign (resid 39 and name HN) (resid 37 and name HA) 3.065 1.174 2.674 weight 1.000 ! spec=HCH_al, no=1097, id=3489, vol=2.650000e+06
assign (resid 37 and name HN) (resid 37 and name HA) 2.457 0.755 2.255 weight 1.000 ! spec=HCH_al, no=1098, id=3490, vol=9.990000e+06
assign (resid 38 and name HN) (resid 37 and name HA) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=1099, id=3491, vol=4.940000e+06
assign (resid 37 and name HA) (resid 58 and name HE1) 3.176 1.261 2.761 weight 1.000 ! spec=HCH_al, no=1100, id=3492, vol=2.140000e+06
    or (resid   37 and name   HA) (resid   58 and name  HE2)
assign (resid 37 and name HA) (resid 39 and name HB2) 3.582 1.604 3.104 weight 1.000 ! spec=HCH_al, no=1104, id=3494, vol=1.040000e+06
    or (resid   37 and name   HA) (resid   39 and name  HB1)
assign (resid 37 and name HA) (resid 40 and name HB) 2.425 0.735 2.235 weight 1.000 ! spec=HCH_al, no=1105, id=3495, vol=1.080000e+07
assign (resid 37 and name HA) (resid 37 and name HB2) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=1106, id=3496, vol=1.180000e+07
assign (resid 37 and name HA) (resid 37 and name HB1) 2.244 0.630 2.13 weight 1.000 ! spec=HCH_al, no=1107, id=3497, vol=1.720000e+07
assign (resid 37 and name HA) (resid 37 and name HD22) 2.064 0.533 2.033 weight 1.000 ! spec=HCH_al, no=1108, id=3498, vol=2.840000e+07
    or (resid   37 and name   HA) (resid   37 and name HD21)
    or (resid   37 and name   HA) (resid   37 and name HD23)
    or (resid   37 and name   HA) (resid   37 and name HD12)
    or (resid   37 and name   HA) (resid   37 and name HD11)
    or (resid   37 and name   HA) (resid   37 and name HD13)
assign (resid 41 and name HN) (resid 38 and name HA) 2.805 0.984 2.484 weight 1.000 ! spec=HCH_al, no=1127, id=3500, vol=4.510000e+06
assign (resid 38 and name HA) (resid 38 and name HB2) 2.304 0.663 2.163 weight 1.000 ! spec=HCH_al, no=1129, id=3502, vol=1.470000e+07
assign (resid 38 and name HA) (resid 38 and name HB1) 2.215 0.613 2.113 weight 1.000 ! spec=HCH_al, no=1130, id=3503, vol=1.860000e+07
assign (resid 38 and name HA) (resid 37 and name HB1) 2.935 1.077 2.577 weight 1.000 ! spec=HCH_al, no=1133, id=3506, vol=3.440000e+06
assign (resid 39 and name HN) (resid 38 and name HB2) 2.602 0.846 2.346 weight 1.000 ! spec=HCH_al, no=1134, id=3507, vol=7.090000e+06
assign (resid 38 and name HB2) (resid 35 and name HB2) 3.030 1.148 2.648 weight 1.000 ! spec=HCH_al, no=1136, id=3508, vol=2.840000e+06
    or (resid   38 and name  HB2) (resid   35 and name  HB1)
assign (resid 48 and name HD2) (resid 38 and name HB2) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_al, no=1137, id=3509, vol=1.620000e+06
    or (resid   48 and name  HD1) (resid   38 and name  HB2)
assign (resid 39 and name HB2) (resid 40 and name HN) 2.675 0.894 2.394 weight 1.000 ! spec=HCH_al, no=1151, id=3510, vol=6.000000e+06
    or (resid   39 and name  HB1) (resid   40 and name   HN)
assign (resid 39 and name HB2) (resid 23 and name HD12) 2.677 0.896 2.396 weight 1.000 ! spec=HCH_al, no=1153, id=3512, vol=5.970000e+06
    or (resid   39 and name  HB2) (resid   23 and name HD11)
    or (resid   39 and name  HB2) (resid   23 and name HD13)
    or (resid   39 and name  HB1) (resid   23 and name HD12)
    or (resid   39 and name  HB1) (resid   23 and name HD11)
    or (resid   39 and name  HB1) (resid   23 and name HD13)
assign (resid 39 and name HB2) (resid 23 and name HD22) 2.499 0.780 2.28 weight 1.000 ! spec=HCH_al, no=1154, id=3513, vol=9.030000e+06
    or (resid   39 and name  HB2) (resid   23 and name HD21)
    or (resid   39 and name  HB2) (resid   23 and name HD23)
    or (resid   39 and name  HB1) (resid   23 and name HD22)
    or (resid   39 and name  HB1) (resid   23 and name HD21)
    or (resid   39 and name  HB1) (resid   23 and name HD23)
assign (resid 40 and name HN) (resid 39 and name HG2) 3.145 1.237 2.737 weight 1.000 ! spec=HCH_al, no=1155, id=3514, vol=2.270000e+06
assign (resid 39 and name HN) (resid 39 and name HG2) 2.565 0.822 2.322 weight 1.000 ! spec=HCH_al, no=1156, id=3515, vol=7.720000e+06
assign (resid 39 and name HG2) (resid 39 and name HG1) 1.872 0.438 1.938 weight 1.000 ! spec=HCH_al, no=1159, id=3518, vol=5.100000e+07
assign (resid 23 and name HD22) (resid 39 and name HG2) 2.906 1.056 2.556 weight 1.000 ! spec=HCH_al, no=1161, id=3520, vol=3.650000e+06
    or (resid   23 and name HD21) (resid   39 and name  HG2)
    or (resid   23 and name HD23) (resid   39 and name  HG2)
assign (resid 39 and name HN) (resid 39 and name HG1) 2.517 0.792 2.292 weight 1.000 ! spec=HCH_al, no=1162, id=3521, vol=8.640000e+06
assign (resid 39 and name HG1) (resid 23 and name HD22) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=1165, id=3524, vol=5.380000e+06
    or (resid   39 and name  HG1) (resid   23 and name HD21)
    or (resid   39 and name  HG1) (resid   23 and name HD23)
assign (resid 40 and name HB) (resid 40 and name HA) 2.898 1.050 2.55 weight 1.000 ! spec=HCH_al, no=1187, id=3530, vol=3.710000e+06
assign (resid 40 and name HB) (resid 41 and name HB2) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=1191, id=3533, vol=3.180000e+06
    or (resid   40 and name   HB) (resid   41 and name  HB1)
    or (resid   40 and name   HB) (resid   41 and name  HB3)
assign (resid 41 and name HN) (resid 40 and name HG22) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_al, no=1195, id=3537, vol=1.460000e+07
    or (resid   41 and name   HN) (resid   40 and name HG21)
    or (resid   41 and name   HN) (resid   40 and name HG23)
assign (resid 40 and name HB) (resid 40 and name HG22) 1.872 0.438 1.938 weight 1.000 ! spec=HCH_al, no=1197, id=3539, vol=5.100000e+07
    or (resid   40 and name   HB) (resid   40 and name HG21)
    or (resid   40 and name   HB) (resid   40 and name HG23)
assign (resid 40 and name HG22) (resid 40 and name HD12) 1.749 0.383 1.883 weight 1.000 ! spec=HCH_al, no=1198, id=3540, vol=7.670000e+07
    or (resid   40 and name HG22) (resid   40 and name HD11)
    or (resid   40 and name HG22) (resid   40 and name HD13)
    or (resid   40 and name HG21) (resid   40 and name HD12)
    or (resid   40 and name HG21) (resid   40 and name HD11)
    or (resid   40 and name HG21) (resid   40 and name HD13)
    or (resid   40 and name HG23) (resid   40 and name HD12)
    or (resid   40 and name HG23) (resid   40 and name HD11)
    or (resid   40 and name HG23) (resid   40 and name HD13)
assign (resid 40 and name HN) (resid 40 and name HG12) 2.522 0.795 2.295 weight 1.000 ! spec=HCH_al, no=1199, id=3541, vol=8.550000e+06
assign (resid 40 and name HG12) (resid 40 and name HA) 2.732 0.933 2.433 weight 1.000 ! spec=HCH_al, no=1200, id=3542, vol=5.290000e+06
assign (resid 40 and name HG12) (resid 40 and name HG11) 2.209 0.610 2.11 weight 1.000 ! spec=HCH_al, no=1201, id=3543, vol=1.890000e+07
assign (resid 41 and name HN) (resid 40 and name HG11) 3.775 1.781 3.281 weight 1.000 ! spec=HCH_al, no=1203, id=3545, vol=7.600000e+05
assign (resid 40 and name HN) (resid 40 and name HG11) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=1204, id=3546, vol=4.410000e+06
assign (resid 40 and name HG11) (resid 20 and name HA) 3.673 1.686 3.186 weight 1.000 ! spec=HCH_al, no=1205, id=3547, vol=8.950000e+05
assign (resid 40 and name HG11) (resid 37 and name HA) 3.618 1.636 3.136 weight 1.000 ! spec=HCH_al, no=1206, id=3548, vol=9.800000e+05
assign (resid 40 and name HG11) (resid 40 and name HA) 2.666 0.889 2.389 weight 1.000 ! spec=HCH_al, no=1207, id=3549, vol=6.120000e+06
assign (resid 40 and name HG11) (resid 20 and name HB2) 3.232 1.305 2.805 weight 1.000 ! spec=HCH_al, no=1209, id=3551, vol=1.930000e+06
    or (resid   40 and name HG11) (resid   20 and name  HB1)
    or (resid   40 and name HG11) (resid   20 and name  HB3)
assign (resid 40 and name HG11) (resid 40 and name HD12) 2.296 0.659 2.159 weight 1.000 ! spec=HCH_al, no=1212, id=3553, vol=1.500000e+07
    or (resid   40 and name HG11) (resid   40 and name HD11)
    or (resid   40 and name HG11) (resid   40 and name HD13)
assign (resid 20 and name HN) (resid 40 and name HD12) 2.532 0.801 2.301 weight 1.000 ! spec=HCH_al, no=1213, id=3554, vol=8.340000e+06
    or (resid   20 and name   HN) (resid   40 and name HD11)
    or (resid   20 and name   HN) (resid   40 and name HD13)
assign (resid 40 and name HD12) (resid 41 and name HN) 2.595 0.842 2.342 weight 1.000 ! spec=HCH_al, no=1214, id=3555, vol=7.190000e+06
    or (resid   40 and name HD11) (resid   41 and name   HN)
    or (resid   40 and name HD13) (resid   41 and name   HN)
assign (resid 40 and name HN) (resid 40 and name HD12) 2.334 0.681 2.181 weight 1.000 ! spec=HCH_al, no=1215, id=3556, vol=1.360000e+07
    or (resid   40 and name   HN) (resid   40 and name HD11)
    or (resid   40 and name   HN) (resid   40 and name HD13)
assign (resid 40 and name HD12) (resid 39 and name HN) 3.148 1.238 2.738 weight 1.000 ! spec=HCH_al, no=1216, id=3557, vol=2.260000e+06
    or (resid   40 and name HD11) (resid   39 and name   HN)
    or (resid   40 and name HD13) (resid   39 and name   HN)
assign (resid 40 and name HD12) (resid 58 and name HD1) 2.839 1.007 2.507 weight 1.000 ! spec=HCH_al, no=1219, id=3560, vol=4.200000e+06
    or (resid   40 and name HD12) (resid   58 and name  HD2)
    or (resid   40 and name HD11) (resid   58 and name  HD1)
    or (resid   40 and name HD11) (resid   58 and name  HD2)
    or (resid   40 and name HD13) (resid   58 and name  HD1)
    or (resid   40 and name HD13) (resid   58 and name  HD2)
assign (resid 40 and name HD12) (resid 58 and name HE1) 2.149 0.577 2.077 weight 1.000 ! spec=HCH_al, no=1220, id=3561, vol=2.230000e+07
    or (resid   40 and name HD12) (resid   58 and name  HE2)
    or (resid   40 and name HD11) (resid   58 and name  HE1)
    or (resid   40 and name HD11) (resid   58 and name  HE2)
    or (resid   40 and name HD13) (resid   58 and name  HE1)
    or (resid   40 and name HD13) (resid   58 and name  HE2)
assign (resid 40 and name HD12) (resid 17 and name HA) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=1222, id=3563, vol=2.980000e+06
    or (resid   40 and name HD11) (resid   17 and name   HA)
    or (resid   40 and name HD13) (resid   17 and name   HA)
assign (resid 20 and name HA) (resid 40 and name HD12) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=1223, id=3564, vol=1.050000e+07
    or (resid   20 and name   HA) (resid   40 and name HD11)
    or (resid   20 and name   HA) (resid   40 and name HD13)
assign (resid 37 and name HA) (resid 40 and name HD12) 2.262 0.640 2.14 weight 1.000 ! spec=HCH_al, no=1224, id=3565, vol=1.640000e+07
    or (resid   37 and name   HA) (resid   40 and name HD11)
    or (resid   37 and name   HA) (resid   40 and name HD13)
assign (resid 40 and name HG12) (resid 40 and name HD12) 1.940 0.471 1.971 weight 1.000 ! spec=HCH_al, no=1227, id=3568, vol=4.120000e+07
    or (resid   40 and name HG12) (resid   40 and name HD11)
    or (resid   40 and name HG12) (resid   40 and name HD13)
assign (resid 40 and name HB) (resid 40 and name HD12) 2.015 0.508 2.008 weight 1.000 ! spec=HCH_al, no=1228, id=3569, vol=3.280000e+07
    or (resid   40 and name   HB) (resid   40 and name HD11)
    or (resid   40 and name   HB) (resid   40 and name HD13)
assign (resid 49 and name HN) (resid 41 and name HB2) 3.301 1.362 2.862 weight 1.000 ! spec=HCH_al, no=1247, id=3576, vol=1.700000e+06
    or (resid   49 and name   HN) (resid   41 and name  HB1)
    or (resid   49 and name   HN) (resid   41 and name  HB3)
assign (resid 48 and name HN) (resid 41 and name HB2) 2.411 0.726 2.226 weight 1.000 ! spec=HCH_al, no=1248, id=3577, vol=1.120000e+07
    or (resid   48 and name   HN) (resid   41 and name  HB1)
    or (resid   48 and name   HN) (resid   41 and name  HB3)
assign (resid 41 and name HN) (resid 41 and name HB2) 1.786 0.399 1.899 weight 1.000 ! spec=HCH_al, no=1249, id=3578, vol=6.770000e+07
    or (resid   41 and name   HN) (resid   41 and name  HB1)
    or (resid   41 and name   HN) (resid   41 and name  HB3)
assign (resid 42 and name HN) (resid 41 and name HB2) 1.942 0.471 1.971 weight 1.000 ! spec=HCH_al, no=1252, id=3581, vol=4.100000e+07
    or (resid   42 and name   HN) (resid   41 and name  HB1)
    or (resid   42 and name   HN) (resid   41 and name  HB3)
assign (resid 41 and name HB2) (resid 47 and name HA) 2.493 0.777 2.277 weight 1.000 ! spec=HCH_al, no=1254, id=3583, vol=9.150000e+06
    or (resid   41 and name  HB1) (resid   47 and name   HA)
    or (resid   41 and name  HB3) (resid   47 and name   HA)
assign (resid 38 and name HA) (resid 41 and name HB2) 2.109 0.556 2.056 weight 1.000 ! spec=HCH_al, no=1255, id=3584, vol=2.500000e+07
    or (resid   38 and name   HA) (resid   41 and name  HB1)
    or (resid   38 and name   HA) (resid   41 and name  HB3)
assign (resid 41 and name HB2) (resid 41 and name HA) 1.853 0.429 1.929 weight 1.000 ! spec=HCH_al, no=1257, id=3586, vol=5.430000e+07
    or (resid   41 and name  HB1) (resid   41 and name   HA)
    or (resid   41 and name  HB3) (resid   41 and name   HA)
assign (resid 41 and name HB2) (resid 38 and name HB1) 3.141 1.233 2.733 weight 1.000 ! spec=HCH_al, no=1260, id=3589, vol=2.290000e+06
    or (resid   41 and name  HB1) (resid   38 and name  HB1)
    or (resid   41 and name  HB3) (resid   38 and name  HB1)
assign (resid 41 and name HB2) (resid 47 and name HB2) 3.052 1.164 2.664 weight 1.000 ! spec=HCH_al, no=1261, id=3590, vol=2.720000e+06
    or (resid   41 and name  HB1) (resid   47 and name  HB2)
    or (resid   41 and name  HB3) (resid   47 and name  HB2)
assign (resid 41 and name HB2) (resid 48 and name HB2) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=1262, id=3591, vol=1.440000e+07
    or (resid   41 and name  HB1) (resid   48 and name  HB2)
    or (resid   41 and name  HB3) (resid   48 and name  HB2)
assign (resid 41 and name HB2) (resid 48 and name HD2) 2.149 0.577 2.077 weight 1.000 ! spec=HCH_al, no=1263, id=3592, vol=2.230000e+07
    or (resid   41 and name  HB2) (resid   48 and name  HD1)
    or (resid   41 and name  HB1) (resid   48 and name  HD2)
    or (resid   41 and name  HB1) (resid   48 and name  HD1)
    or (resid   41 and name  HB3) (resid   48 and name  HD2)
    or (resid   41 and name  HB3) (resid   48 and name  HD1)
assign (resid 43 and name HG) (resid 43 and name HA) 2.712 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1309, id=3594, vol=5.530000e+06
assign (resid 43 and name HG) (resid 40 and name HA) 3.320 1.378 2.878 weight 1.000 ! spec=HCH_al, no=1310, id=3595, vol=1.640000e+06
assign (resid 43 and name HG) (resid 43 and name HB1) 2.594 0.841 2.341 weight 1.000 ! spec=HCH_al, no=1311, id=3596, vol=7.210000e+06
assign (resid 11 and name HG) (resid 6 and name HD1) 3.422 1.463 2.963 weight 1.000 ! spec=HCH_al, no=1330, id=3599, vol=1.370000e+06
    or (resid   11 and name   HG) (resid    6 and name  HD2)
assign (resid 44 and name HG) (resid 44 and name HA) 2.496 0.779 2.279 weight 1.000 ! spec=HCH_al, no=1331, id=3600, vol=9.090000e+06
assign (resid 46 and name HB) (resid 46 and name HA) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_al, no=1360, id=3604, vol=1.460000e+07
assign (resid 46 and name HB) (resid 41 and name HB2) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1362, id=3605, vol=1.170000e+06
    or (resid   46 and name   HB) (resid   41 and name  HB1)
    or (resid   46 and name   HB) (resid   41 and name  HB3)
assign (resid 47 and name HB2) (resid 50 and name HN) 3.056 1.167 2.667 weight 1.000 ! spec=HCH_al, no=1374, id=3610, vol=2.700000e+06
assign (resid 47 and name HB2) (resid 47 and name HA) 2.496 0.779 2.279 weight 1.000 ! spec=HCH_al, no=1375, id=3611, vol=9.080000e+06
assign (resid 47 and name HB2) (resid 47 and name HE2) 3.385 1.433 2.933 weight 1.000 ! spec=HCH_al, no=1376, id=3612, vol=1.460000e+06
    or (resid   47 and name  HB2) (resid   47 and name  HE1)
assign (resid 47 and name HB1) (resid 49 and name HN) 3.075 1.182 2.682 weight 1.000 ! spec=HCH_al, no=1380, id=3615, vol=2.600000e+06
assign (resid 47 and name HB1) (resid 48 and name HN) 2.911 1.059 2.559 weight 1.000 ! spec=HCH_al, no=1381, id=3616, vol=3.610000e+06
assign (resid 47 and name HB1) (resid 47 and name HN) 2.494 0.777 2.277 weight 1.000 ! spec=HCH_al, no=1382, id=3617, vol=9.140000e+06
assign (resid 47 and name HB1) (resid 46 and name HA) 3.565 1.589 3.089 weight 1.000 ! spec=HCH_al, no=1384, id=3619, vol=1.070000e+06
assign (resid 47 and name HB1) (resid 47 and name HA) 2.624 0.861 2.361 weight 1.000 ! spec=HCH_al, no=1385, id=3620, vol=6.730000e+06
assign (resid 47 and name HB1) (resid 47 and name HE2) 3.422 1.463 2.963 weight 1.000 ! spec=HCH_al, no=1386, id=3621, vol=1.370000e+06
    or (resid   47 and name  HB1) (resid   47 and name  HE1)
assign (resid 47 and name HB1) (resid 50 and name HG2) 2.576 0.830 2.33 weight 1.000 ! spec=HCH_al, no=1387, id=3622, vol=7.520000e+06
assign (resid 47 and name HB1) (resid 47 and name HB2) 2.028 0.514 2.014 weight 1.000 ! spec=HCH_al, no=1388, id=3623, vol=3.160000e+07
assign (resid 47 and name HB1) (resid 47 and name HG1) 2.286 0.653 2.153 weight 1.000 ! spec=HCH_al, no=1389, id=3624, vol=1.540000e+07
assign (resid 47 and name HG2) (resid 50 and name HN) 3.508 1.538 3.038 weight 1.000 ! spec=HCH_al, no=1394, id=3628, vol=1.180000e+06
assign (resid 47 and name HG2) (resid 46 and name HA) 3.498 1.529 3.029 weight 1.000 ! spec=HCH_al, no=1395, id=3629, vol=1.200000e+06
assign (resid 47 and name HG2) (resid 47 and name HA) 2.540 0.806 2.306 weight 1.000 ! spec=HCH_al, no=1396, id=3630, vol=8.190000e+06
assign (resid 47 and name HG2) (resid 47 and name HE2) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_al, no=1397, id=3631, vol=4.680000e+06
    or (resid   47 and name  HG2) (resid   47 and name  HE1)
assign (resid 47 and name HG2) (resid 47 and name HB2) 2.482 0.770 2.27 weight 1.000 ! spec=HCH_al, no=1399, id=3633, vol=9.400000e+06
assign (resid 47 and name HG2) (resid 47 and name HG1) 1.784 0.398 1.898 weight 1.000 ! spec=HCH_al, no=1401, id=3635, vol=6.810000e+07
assign (resid 49 and name HN) (resid 47 and name HG1) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=1402, id=3636, vol=1.410000e+06
assign (resid 47 and name HG1) (resid 50 and name HN) 3.434 1.474 2.974 weight 1.000 ! spec=HCH_al, no=1404, id=3638, vol=1.340000e+06
assign (resid 47 and name HG1) (resid 46 and name HA) 3.503 1.534 3.034 weight 1.000 ! spec=HCH_al, no=1405, id=3639, vol=1.190000e+06
assign (resid 47 and name HG1) (resid 47 and name HA) 2.560 0.820 2.32 weight 1.000 ! spec=HCH_al, no=1406, id=3640, vol=7.800000e+06
assign (resid 47 and name HG1) (resid 47 and name HE2) 2.729 0.931 2.431 weight 1.000 ! spec=HCH_al, no=1407, id=3641, vol=5.320000e+06
    or (resid   47 and name  HG1) (resid   47 and name  HE1)
assign (resid 47 and name HG1) (resid 47 and name HB2) 2.429 0.738 2.238 weight 1.000 ! spec=HCH_al, no=1409, id=3643, vol=1.070000e+07
assign (resid 48 and name HN) (resid 48 and name HB2) 2.453 0.752 2.252 weight 1.000 ! spec=HCH_al, no=1429, id=3646, vol=1.010000e+07
assign (resid 48 and name HB2) (resid 48 and name HA) 2.377 0.706 2.206 weight 1.000 ! spec=HCH_al, no=1430, id=3647, vol=1.220000e+07
assign (resid 48 and name HB2) (resid 48 and name HG2) 2.159 0.583 2.083 weight 1.000 ! spec=HCH_al, no=1431, id=3648, vol=2.170000e+07
    or (resid   48 and name  HB2) (resid   48 and name  HG1)
assign (resid 48 and name HN) (resid 48 and name HG2) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=1434, id=3651, vol=7.960000e+06
    or (resid   48 and name   HN) (resid   48 and name  HG1)
assign (resid 48 and name HG2) (resid 47 and name HA) 3.254 1.324 2.824 weight 1.000 ! spec=HCH_al, no=1436, id=3653, vol=1.850000e+06
    or (resid   48 and name  HG1) (resid   47 and name   HA)
assign (resid 38 and name HA) (resid 48 and name HG2) 3.363 1.414 2.914 weight 1.000 ! spec=HCH_al, no=1437, id=3654, vol=1.520000e+06
    or (resid   38 and name   HA) (resid   48 and name  HG1)
assign (resid 48 and name HG2) (resid 49 and name HA) 3.417 1.460 2.96 weight 1.000 ! spec=HCH_al, no=1438, id=3655, vol=1.380000e+06
    or (resid   48 and name  HG1) (resid   49 and name   HA)
assign (resid 48 and name HG2) (resid 48 and name HA) 2.549 0.812 2.312 weight 1.000 ! spec=HCH_al, no=1439, id=3656, vol=8.020000e+06
    or (resid   48 and name  HG1) (resid   48 and name   HA)
assign (resid 48 and name HG2) (resid 48 and name HE2) 2.337 0.683 2.183 weight 1.000 ! spec=HCH_al, no=1440, id=3657, vol=1.350000e+07
    or (resid   48 and name  HG2) (resid   48 and name  HE1)
    or (resid   48 and name  HG1) (resid   48 and name  HE2)
    or (resid   48 and name  HG1) (resid   48 and name  HE1)
assign (resid 48 and name HG2) (resid 37 and name HD22) 2.425 0.735 2.235 weight 1.000 ! spec=HCH_al, no=1444, id=3660, vol=1.080000e+07
    or (resid   48 and name  HG2) (resid   37 and name HD21)
    or (resid   48 and name  HG2) (resid   37 and name HD23)
    or (resid   48 and name  HG2) (resid   37 and name HD12)
    or (resid   48 and name  HG2) (resid   37 and name HD11)
    or (resid   48 and name  HG2) (resid   37 and name HD13)
    or (resid   48 and name  HG1) (resid   37 and name HD22)
    or (resid   48 and name  HG1) (resid   37 and name HD21)
    or (resid   48 and name  HG1) (resid   37 and name HD23)
    or (resid   48 and name  HG1) (resid   37 and name HD12)
    or (resid   48 and name  HG1) (resid   37 and name HD11)
    or (resid   48 and name  HG1) (resid   37 and name HD13)
assign (resid 38 and name HN) (resid 48 and name HD2) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=1445, id=3661, vol=3.120000e+06
    or (resid   38 and name   HN) (resid   48 and name  HD1)
assign (resid 39 and name HB2) (resid 39 and name HN) 2.358 0.695 2.195 weight 1.000 ! spec=HCH_al, no=1459, id=3662, vol=1.280000e+07
    or (resid   39 and name  HB1) (resid   39 and name   HN)
assign (resid 50 and name HG2) (resid 47 and name HN) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1460, id=3663, vol=6.640000e+06
assign (resid 93 and name HN) (resid 93 and name HG) 2.643 0.873 2.373 weight 1.000 ! spec=HCH_al, no=1478, id=3666, vol=6.450000e+06
assign (resid 51 and name HG) (resid 51 and name HB2) 2.585 0.835 2.335 weight 1.000 ! spec=HCH_al, no=1480, id=3668, vol=7.370000e+06
assign (resid 53 and name HB2) (resid 53 and name HN) 3.179 1.263 2.763 weight 1.000 ! spec=HCH_al, no=1507, id=3670, vol=2.130000e+06
assign (resid 53 and name HB2) (resid 54 and name HN) 3.008 1.131 2.631 weight 1.000 ! spec=HCH_al, no=1508, id=3671, vol=2.970000e+06
assign (resid 53 and name HB2) (resid 53 and name HA) 2.166 0.586 2.086 weight 1.000 ! spec=HCH_al, no=1509, id=3672, vol=2.130000e+07
assign (resid 53 and name HB1) (resid 54 and name HN) 3.030 1.148 2.648 weight 1.000 ! spec=HCH_al, no=1510, id=3673, vol=2.840000e+06
assign (resid 54 and name HN) (resid 54 and name HA) 2.468 0.761 2.261 weight 1.000 ! spec=HCH_al, no=1513, id=3676, vol=9.730000e+06
assign (resid 57 and name HB2) (resid 54 and name HA) 2.695 0.908 2.408 weight 1.000 ! spec=HCH_al, no=1525, id=3686, vol=5.740000e+06
assign (resid 54 and name HA) (resid 54 and name HB2) 2.325 0.676 2.176 weight 1.000 ! spec=HCH_al, no=1526, id=3687, vol=1.390000e+07
assign (resid 54 and name HA) (resid 16 and name HD12) 3.125 1.221 2.721 weight 1.000 ! spec=HCH_al, no=1531, id=3692, vol=2.360000e+06
    or (resid   54 and name   HA) (resid   16 and name HD11)
    or (resid   54 and name   HA) (resid   16 and name HD13)
assign (resid 54 and name HB2) (resid 51 and name HD22) 3.223 1.299 2.799 weight 1.000 ! spec=HCH_al, no=1535, id=3696, vol=1.960000e+06
    or (resid   54 and name  HB2) (resid   51 and name HD21)
    or (resid   54 and name  HB2) (resid   51 and name HD23)
    or (resid   54 and name  HB2) (resid   51 and name HD12)
    or (resid   54 and name  HB2) (resid   51 and name HD11)
    or (resid   54 and name  HB2) (resid   51 and name HD13)
assign (resid 54 and name HB1) (resid 54 and name HN) 2.657 0.882 2.382 weight 1.000 ! spec=HCH_al, no=1537, id=3698, vol=6.250000e+06
assign (resid 54 and name HB1) (resid 55 and name HN) 3.246 1.317 2.817 weight 1.000 ! spec=HCH_al, no=1538, id=3699, vol=1.880000e+06
assign (resid 54 and name HG1) (resid 54 and name HG2) 2.067 0.534 2.034 weight 1.000 ! spec=HCH_al, no=1544, id=3705, vol=2.820000e+07
assign (resid 56 and name HN) (resid 55 and name HA) 2.931 1.074 2.574 weight 1.000 ! spec=HCH_al, no=1572, id=3707, vol=3.470000e+06
assign (resid 58 and name HN) (resid 55 and name HA) 2.795 0.977 2.477 weight 1.000 ! spec=HCH_al, no=1573, id=3708, vol=4.610000e+06
assign (resid 55 and name HN) (resid 55 and name HA) 2.495 0.778 2.278 weight 1.000 ! spec=HCH_al, no=1574, id=3709, vol=9.110000e+06
assign (resid 55 and name HA) (resid 58 and name HD1) 2.767 0.957 2.457 weight 1.000 ! spec=HCH_al, no=1575, id=3710, vol=4.900000e+06
    or (resid   55 and name   HA) (resid   58 and name  HD2)
assign (resid 55 and name HA) (resid 55 and name HB) 2.543 0.808 2.308 weight 1.000 ! spec=HCH_al, no=1579, id=3713, vol=8.130000e+06
assign (resid 55 and name HA) (resid 55 and name HG12) 2.608 0.850 2.35 weight 1.000 ! spec=HCH_al, no=1580, id=3714, vol=6.990000e+06
assign (resid 55 and name HA) (resid 56 and name HB2) 3.549 1.574 3.074 weight 1.000 ! spec=HCH_al, no=1581, id=3715, vol=1.100000e+06
    or (resid   55 and name   HA) (resid   56 and name  HB1)
    or (resid   55 and name   HA) (resid   56 and name  HB3)
assign (resid 55 and name HA) (resid 16 and name HD12) 2.844 1.011 2.511 weight 1.000 ! spec=HCH_al, no=1585, id=3719, vol=4.150000e+06
    or (resid   55 and name   HA) (resid   16 and name HD11)
    or (resid   55 and name   HA) (resid   16 and name HD13)
assign (resid 55 and name HB) (resid 33 and name HZ) 3.795 1.800 3.3 weight 1.000 ! spec=HCH_al, no=1588, id=3722, vol=7.360000e+05
assign (resid 55 and name HB) (resid 56 and name HA) 3.636 1.653 3.153 weight 1.000 ! spec=HCH_al, no=1589, id=3723, vol=9.510000e+05
assign (resid 55 and name HG22) (resid 56 and name HA) 2.641 0.872 2.372 weight 1.000 ! spec=HCH_al, no=1598, id=3731, vol=6.480000e+06
    or (resid   55 and name HG21) (resid   56 and name   HA)
    or (resid   55 and name HG23) (resid   56 and name   HA)
assign (resid 55 and name HG22) (resid 59 and name HB1) 2.885 1.041 2.541 weight 1.000 ! spec=HCH_al, no=1599, id=3732, vol=3.810000e+06
    or (resid   55 and name HG21) (resid   59 and name  HB1)
    or (resid   55 and name HG23) (resid   59 and name  HB1)
assign (resid 55 and name HG12) (resid 55 and name HN) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=1602, id=3735, vol=9.650000e+06
assign (resid 55 and name HG12) (resid 55 and name HB) 2.301 0.662 2.162 weight 1.000 ! spec=HCH_al, no=1604, id=3737, vol=1.480000e+07
assign (resid 55 and name HG12) (resid 55 and name HG11) 1.875 0.439 1.939 weight 1.000 ! spec=HCH_al, no=1606, id=3739, vol=5.060000e+07
assign (resid 55 and name HG11) (resid 56 and name HN) 3.426 1.467 2.967 weight 1.000 ! spec=HCH_al, no=1607, id=3740, vol=1.360000e+06
assign (resid 55 and name HB) (resid 55 and name HG11) 2.468 0.762 2.262 weight 1.000 ! spec=HCH_al, no=1608, id=3741, vol=9.720000e+06
assign (resid 55 and name HG11) (resid 37 and name HD22) 2.414 0.729 2.229 weight 1.000 ! spec=HCH_al, no=1610, id=3743, vol=1.110000e+07
    or (resid   55 and name HG11) (resid   37 and name HD21)
    or (resid   55 and name HG11) (resid   37 and name HD23)
    or (resid   55 and name HG11) (resid   37 and name HD12)
    or (resid   55 and name HG11) (resid   37 and name HD11)
    or (resid   55 and name HG11) (resid   37 and name HD13)
assign (resid 55 and name HN) (resid 55 and name HD12) 2.164 0.585 2.085 weight 1.000 ! spec=HCH_al, no=1611, id=3744, vol=2.140000e+07
    or (resid   55 and name   HN) (resid   55 and name HD11)
    or (resid   55 and name   HN) (resid   55 and name HD13)
assign (resid 55 and name HG12) (resid 55 and name HD12) 1.807 0.408 1.908 weight 1.000 ! spec=HCH_al, no=1615, id=3748, vol=6.310000e+07
    or (resid   55 and name HG12) (resid   55 and name HD11)
    or (resid   55 and name HG12) (resid   55 and name HD13)
assign (resid 55 and name HD12) (resid 51 and name HB1) 2.236 0.625 2.125 weight 1.000 ! spec=HCH_al, no=1616, id=3749, vol=1.760000e+07
    or (resid   55 and name HD11) (resid   51 and name  HB1)
    or (resid   55 and name HD13) (resid   51 and name  HB1)
assign (resid 55 and name HD12) (resid 37 and name HD22) 1.796 0.403 1.903 weight 1.000 ! spec=HCH_al, no=1618, id=3750, vol=6.560000e+07
    or (resid   55 and name HD12) (resid   37 and name HD21)
    or (resid   55 and name HD12) (resid   37 and name HD23)
    or (resid   55 and name HD12) (resid   37 and name HD12)
    or (resid   55 and name HD12) (resid   37 and name HD11)
    or (resid   55 and name HD12) (resid   37 and name HD13)
    or (resid   55 and name HD11) (resid   37 and name HD22)
    or (resid   55 and name HD11) (resid   37 and name HD21)
    or (resid   55 and name HD11) (resid   37 and name HD23)
    or (resid   55 and name HD11) (resid   37 and name HD12)
    or (resid   55 and name HD11) (resid   37 and name HD11)
    or (resid   55 and name HD11) (resid   37 and name HD13)
    or (resid   55 and name HD13) (resid   37 and name HD22)
    or (resid   55 and name HD13) (resid   37 and name HD21)
    or (resid   55 and name HD13) (resid   37 and name HD23)
    or (resid   55 and name HD13) (resid   37 and name HD12)
    or (resid   55 and name HD13) (resid   37 and name HD11)
    or (resid   55 and name HD13) (resid   37 and name HD13)
assign (resid 59 and name HN) (resid 56 and name HA) 2.795 0.977 2.477 weight 1.000 ! spec=HCH_al, no=1619, id=3751, vol=4.610000e+06
assign (resid 56 and name HN) (resid 56 and name HA) 2.185 0.597 2.097 weight 1.000 ! spec=HCH_al, no=1620, id=3752, vol=2.020000e+07
assign (resid 56 and name HA) (resid 59 and name HB2) 2.544 0.809 2.309 weight 1.000 ! spec=HCH_al, no=1622, id=3754, vol=8.100000e+06
assign (resid 56 and name HB2) (resid 57 and name HA) 2.658 0.883 2.383 weight 1.000 ! spec=HCH_al, no=1625, id=3757, vol=6.230000e+06
    or (resid   56 and name  HB1) (resid   57 and name   HA)
    or (resid   56 and name  HB3) (resid   57 and name   HA)
assign (resid 56 and name HB2) (resid 57 and name HB2) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=1626, id=3758, vol=2.470000e+06
    or (resid   56 and name  HB1) (resid   57 and name  HB2)
    or (resid   56 and name  HB3) (resid   57 and name  HB2)
assign (resid 34 and name HG1) (resid 32 and name HB1) 1.879 0.441 1.941 weight 1.000 ! spec=HCH_al, no=1639, id=3765, vol=5.000000e+07
assign (resid 57 and name HG1) (resid 61 and name HN) 3.634 1.650 3.15 weight 1.000 ! spec=HCH_al, no=1641, id=3767, vol=9.550000e+05
assign (resid 57 and name HG1) (resid 57 and name HE21) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_al, no=1642, id=3768, vol=1.460000e+07
assign (resid 57 and name HG1) (resid 57 and name HE22) 2.606 0.849 2.349 weight 1.000 ! spec=HCH_al, no=1644, id=3770, vol=7.020000e+06
assign (resid 57 and name HG1) (resid 54 and name HA) 2.864 1.026 2.526 weight 1.000 ! spec=HCH_al, no=1645, id=3771, vol=3.980000e+06
assign (resid 57 and name HG1) (resid 57 and name HA) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=1646, id=3772, vol=6.890000e+06
assign (resid 57 and name HG1) (resid 57 and name HB2) 2.131 0.567 2.067 weight 1.000 ! spec=HCH_al, no=1647, id=3773, vol=2.350000e+07
assign (resid 57 and name HG1) (resid 60 and name HG21) 3.554 1.579 3.079 weight 1.000 ! spec=HCH_al, no=1650, id=3776, vol=1.090000e+06
    or (resid   57 and name  HG1) (resid   60 and name HG22)
    or (resid   57 and name  HG1) (resid   60 and name HG23)
assign (resid 58 and name HB2) (resid 58 and name HN) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=1657, id=3778, vol=9.470000e+06
assign (resid 58 and name HB2) (resid 58 and name HD1) 2.627 0.863 2.363 weight 1.000 ! spec=HCH_al, no=1658, id=3779, vol=6.690000e+06
    or (resid   58 and name  HB2) (resid   58 and name  HD2)
assign (resid 58 and name HB2) (resid 58 and name HA) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_al, no=1659, id=3780, vol=5.350000e+06
assign (resid 58 and name HB2) (resid 55 and name HA) 2.834 1.004 2.504 weight 1.000 ! spec=HCH_al, no=1660, id=3781, vol=4.240000e+06
assign (resid 58 and name HB2) (resid 16 and name HB2) 3.447 1.485 2.985 weight 1.000 ! spec=HCH_al, no=1661, id=3782, vol=1.310000e+06
assign (resid 58 and name HB2) (resid 55 and name HG22) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=1662, id=3783, vol=1.030000e+06
    or (resid   58 and name  HB2) (resid   55 and name HG21)
    or (resid   58 and name  HB2) (resid   55 and name HG23)
assign (resid 58 and name HB2) (resid 55 and name HD12) 3.498 1.529 3.029 weight 1.000 ! spec=HCH_al, no=1663, id=3784, vol=1.200000e+06
    or (resid   58 and name  HB2) (resid   55 and name HD11)
    or (resid   58 and name  HB2) (resid   55 and name HD13)
assign (resid 58 and name HB2) (resid 51 and name HD22) 3.503 1.534 3.034 weight 1.000 ! spec=HCH_al, no=1664, id=3785, vol=1.190000e+06
    or (resid   58 and name  HB2) (resid   51 and name HD21)
    or (resid   58 and name  HB2) (resid   51 and name HD23)
    or (resid   58 and name  HB2) (resid   51 and name HD12)
    or (resid   58 and name  HB2) (resid   51 and name HD11)
    or (resid   58 and name  HB2) (resid   51 and name HD13)
assign (resid 58 and name HB2) (resid 16 and name HD12) 2.729 0.931 2.431 weight 1.000 ! spec=HCH_al, no=1665, id=3786, vol=5.320000e+06
    or (resid   58 and name  HB2) (resid   16 and name HD11)
    or (resid   58 and name  HB2) (resid   16 and name HD13)
assign (resid 58 and name HB1) (resid 59 and name HN) 2.732 0.933 2.433 weight 1.000 ! spec=HCH_al, no=1667, id=3788, vol=5.290000e+06
assign (resid 58 and name HB1) (resid 58 and name HN) 2.386 0.712 2.212 weight 1.000 ! spec=HCH_al, no=1668, id=3789, vol=1.190000e+07
assign (resid 58 and name HB1) (resid 58 and name HD1) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=1669, id=3790, vol=8.430000e+06
    or (resid   58 and name  HB1) (resid   58 and name  HD2)
assign (resid 58 and name HB1) (resid 58 and name HA) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=1670, id=3791, vol=4.850000e+06
assign (resid 58 and name HB1) (resid 55 and name HA) 2.757 0.950 2.45 weight 1.000 ! spec=HCH_al, no=1671, id=3792, vol=5.010000e+06
assign (resid 58 and name HB1) (resid 55 and name HG22) 3.456 1.493 2.993 weight 1.000 ! spec=HCH_al, no=1673, id=3794, vol=1.290000e+06
    or (resid   58 and name  HB1) (resid   55 and name HG21)
    or (resid   58 and name  HB1) (resid   55 and name HG23)
assign (resid 58 and name HB1) (resid 51 and name HD22) 3.363 1.414 2.914 weight 1.000 ! spec=HCH_al, no=1674, id=3795, vol=1.520000e+06
    or (resid   58 and name  HB1) (resid   51 and name HD21)
    or (resid   58 and name  HB1) (resid   51 and name HD23)
    or (resid   58 and name  HB1) (resid   51 and name HD12)
    or (resid   58 and name  HB1) (resid   51 and name HD11)
    or (resid   58 and name  HB1) (resid   51 and name HD13)
assign (resid 59 and name HN) (resid 59 and name HA) 2.453 0.752 2.252 weight 1.000 ! spec=HCH_al, no=1677, id=3798, vol=1.010000e+07
assign (resid 62 and name HN) (resid 59 and name HA) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=1678, id=3799, vol=2.900000e+06
assign (resid 59 and name HA) (resid 33 and name HZ) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=1680, id=3801, vol=3.740000e+06
assign (resid 63 and name HN) (resid 59 and name HA) 3.345 1.398 2.898 weight 1.000 ! spec=HCH_al, no=1681, id=3802, vol=1.570000e+06
assign (resid 59 and name HA) (resid 33 and name HE1) 2.864 1.026 2.526 weight 1.000 ! spec=HCH_al, no=1682, id=3803, vol=3.980000e+06
    or (resid   59 and name   HA) (resid   33 and name  HE2)
assign (resid 59 and name HA) (resid 59 and name HD1) 2.467 0.761 2.261 weight 1.000 ! spec=HCH_al, no=1684, id=3805, vol=9.760000e+06
    or (resid   59 and name   HA) (resid   59 and name  HD2)
assign (resid 59 and name HA) (resid 59 and name HB2) 2.489 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1687, id=3807, vol=9.240000e+06
assign (resid 59 and name HA) (resid 59 and name HB1) 2.422 0.733 2.233 weight 1.000 ! spec=HCH_al, no=1688, id=3808, vol=1.090000e+07
assign (resid 59 and name HA) (resid 62 and name HB2) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=1690, id=3809, vol=4.410000e+06
assign (resid 59 and name HA) (resid 62 and name HB1) 3.091 1.194 2.694 weight 1.000 ! spec=HCH_al, no=1692, id=3811, vol=2.520000e+06
assign (resid 59 and name HN) (resid 59 and name HB2) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=1694, id=3813, vol=9.660000e+06
assign (resid 59 and name HB2) (resid 59 and name HB1) 2.146 0.576 2.076 weight 1.000 ! spec=HCH_al, no=1699, id=3818, vol=2.250000e+07
assign (resid 59 and name HB2) (resid 56 and name HB2) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_al, no=1700, id=3819, vol=2.210000e+06
    or (resid   59 and name  HB2) (resid   56 and name  HB1)
    or (resid   59 and name  HB2) (resid   56 and name  HB3)
assign (resid 59 and name HN) (resid 59 and name HB1) 2.407 0.724 2.224 weight 1.000 ! spec=HCH_al, no=1701, id=3820, vol=1.130000e+07
assign (resid 60 and name HN) (resid 59 and name HB1) 2.889 1.043 2.543 weight 1.000 ! spec=HCH_al, no=1702, id=3821, vol=3.780000e+06
assign (resid 59 and name HB1) (resid 33 and name HZ) 2.903 1.054 2.554 weight 1.000 ! spec=HCH_al, no=1703, id=3822, vol=3.670000e+06
assign (resid 59 and name HB1) (resid 33 and name HE1) 3.285 1.349 2.849 weight 1.000 ! spec=HCH_al, no=1704, id=3823, vol=1.750000e+06
    or (resid   59 and name  HB1) (resid   33 and name  HE2)
assign (resid 59 and name HB1) (resid 56 and name HB2) 3.528 1.556 3.056 weight 1.000 ! spec=HCH_al, no=1712, id=3830, vol=1.140000e+06
    or (resid   59 and name  HB1) (resid   56 and name  HB1)
    or (resid   59 and name  HB1) (resid   56 and name  HB3)
assign (resid 59 and name HB1) (resid 62 and name HD22) 3.560 1.584 3.084 weight 1.000 ! spec=HCH_al, no=1714, id=3832, vol=1.080000e+06
    or (resid   59 and name  HB1) (resid   62 and name HD21)
    or (resid   59 and name  HB1) (resid   62 and name HD23)
assign (resid 61 and name HN) (resid 60 and name HA) 3.004 1.128 2.628 weight 1.000 ! spec=HCH_al, no=1715, id=3833, vol=2.990000e+06
assign (resid 60 and name HN) (resid 60 and name HA) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=1716, id=3834, vol=9.950000e+06
assign (resid 63 and name HD21) (resid 60 and name HA) 2.949 1.087 2.587 weight 1.000 ! spec=HCH_al, no=1717, id=3835, vol=3.340000e+06
assign (resid 63 and name HN) (resid 60 and name HA) 2.909 1.058 2.558 weight 1.000 ! spec=HCH_al, no=1718, id=3836, vol=3.630000e+06
assign (resid 60 and name HA) (resid 60 and name HB) 2.747 0.943 2.443 weight 1.000 ! spec=HCH_al, no=1721, id=3838, vol=5.120000e+06
assign (resid 60 and name HA) (resid 63 and name HB2) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1723, id=3839, vol=6.280000e+06
assign (resid 60 and name HA) (resid 63 and name HB1) 2.831 1.002 2.502 weight 1.000 ! spec=HCH_al, no=1724, id=3840, vol=4.270000e+06
assign (resid 60 and name HA) (resid 60 and name HG21) 2.219 0.616 2.116 weight 1.000 ! spec=HCH_al, no=1725, id=3841, vol=1.840000e+07
    or (resid   60 and name   HA) (resid   60 and name HG22)
    or (resid   60 and name   HA) (resid   60 and name HG23)
assign (resid 61 and name HB2) (resid 58 and name HA) 2.931 1.074 2.574 weight 1.000 ! spec=HCH_al, no=1734, id=3845, vol=3.470000e+06
assign (resid 61 and name HB2) (resid 61 and name HA) 2.676 0.895 2.395 weight 1.000 ! spec=HCH_al, no=1736, id=3847, vol=5.990000e+06
assign (resid 61 and name HB2) (resid 17 and name HG22) 2.594 0.841 2.341 weight 1.000 ! spec=HCH_al, no=1738, id=3849, vol=7.210000e+06
    or (resid   61 and name  HB2) (resid   17 and name HG21)
    or (resid   61 and name  HB2) (resid   17 and name HG23)
    or (resid   61 and name  HB2) (resid   17 and name HG12)
    or (resid   61 and name  HB2) (resid   17 and name HG11)
    or (resid   61 and name  HB2) (resid   17 and name HG13)
assign (resid 61 and name HN) (resid 61 and name HB1) 2.687 0.903 2.403 weight 1.000 ! spec=HCH_al, no=1739, id=3850, vol=5.840000e+06
assign (resid 61 and name HB1) (resid 58 and name HD1) 3.226 1.301 2.801 weight 1.000 ! spec=HCH_al, no=1741, id=3852, vol=1.950000e+06
    or (resid   61 and name  HB1) (resid   58 and name  HD2)
assign (resid 61 and name HB1) (resid 58 and name HA) 2.964 1.098 2.598 weight 1.000 ! spec=HCH_al, no=1742, id=3853, vol=3.240000e+06
assign (resid 61 and name HB1) (resid 61 and name HA) 2.510 0.788 2.288 weight 1.000 ! spec=HCH_al, no=1743, id=3854, vol=8.790000e+06
assign (resid 61 and name HB2) (resid 61 and name HB1) 2.154 0.580 2.08 weight 1.000 ! spec=HCH_al, no=1744, id=3855, vol=2.200000e+07
assign (resid 61 and name HB1) (resid 17 and name HB) 3.027 1.145 2.645 weight 1.000 ! spec=HCH_al, no=1746, id=3856, vol=2.860000e+06
assign (resid 61 and name HB1) (resid 60 and name HG21) 3.882 1.884 3.384 weight 1.000 ! spec=HCH_al, no=1748, id=3858, vol=6.420000e+05
    or (resid   61 and name  HB1) (resid   60 and name HG22)
    or (resid   61 and name  HB1) (resid   60 and name HG23)
assign (resid 61 and name HB1) (resid 17 and name HG22) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=1749, id=3859, vol=1.050000e+07
    or (resid   61 and name  HB1) (resid   17 and name HG21)
    or (resid   61 and name  HB1) (resid   17 and name HG23)
    or (resid   61 and name  HB1) (resid   17 and name HG12)
    or (resid   61 and name  HB1) (resid   17 and name HG11)
    or (resid   61 and name  HB1) (resid   17 and name HG13)
assign (resid 62 and name HA) (resid 61 and name HN) 3.674 1.688 3.188 weight 1.000 ! spec=HCH_al, no=1750, id=3860, vol=8.930000e+05
assign (resid 62 and name HN) (resid 62 and name HA) 2.474 0.765 2.265 weight 1.000 ! spec=HCH_al, no=1751, id=3861, vol=9.590000e+06
assign (resid 62 and name HA) (resid 68 and name HD1) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=1752, id=3862, vol=4.970000e+06
    or (resid   62 and name   HA) (resid   68 and name  HD2)
assign (resid 63 and name HN) (resid 62 and name HA) 2.895 1.048 2.548 weight 1.000 ! spec=HCH_al, no=1753, id=3863, vol=3.730000e+06
assign (resid 62 and name HA) (resid 65 and name HB1) 3.106 1.206 2.706 weight 1.000 ! spec=HCH_al, no=1755, id=3864, vol=2.450000e+06
assign (resid 62 and name HA) (resid 17 and name HG22) 2.527 0.798 2.298 weight 1.000 ! spec=HCH_al, no=1756, id=3865, vol=8.450000e+06
    or (resid   62 and name   HA) (resid   17 and name HG21)
    or (resid   62 and name   HA) (resid   17 and name HG23)
    or (resid   62 and name   HA) (resid   17 and name HG12)
    or (resid   62 and name   HA) (resid   17 and name HG11)
    or (resid   62 and name   HA) (resid   17 and name HG13)
assign (resid 62 and name HA) (resid 62 and name HB2) 2.599 0.844 2.344 weight 1.000 ! spec=HCH_al, no=1757, id=3866, vol=7.130000e+06
assign (resid 62 and name HA) (resid 62 and name HG) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=1758, id=3867, vol=5.240000e+06
assign (resid 62 and name HA) (resid 62 and name HB1) 2.518 0.792 2.292 weight 1.000 ! spec=HCH_al, no=1759, id=3868, vol=8.630000e+06
assign (resid 63 and name HN) (resid 62 and name HG) 3.465 1.501 3.001 weight 1.000 ! spec=HCH_al, no=1782, id=3873, vol=1.270000e+06
assign (resid 62 and name HG) (resid 17 and name HG22) 3.176 1.261 2.761 weight 1.000 ! spec=HCH_al, no=1786, id=3877, vol=2.140000e+06
    or (resid   62 and name   HG) (resid   17 and name HG21)
    or (resid   62 and name   HG) (resid   17 and name HG23)
    or (resid   62 and name   HG) (resid   17 and name HG12)
    or (resid   62 and name   HG) (resid   17 and name HG11)
    or (resid   62 and name   HG) (resid   17 and name HG13)
assign (resid 62 and name HG) (resid 62 and name HB2) 2.577 0.830 2.33 weight 1.000 ! spec=HCH_al, no=1787, id=3878, vol=7.510000e+06
assign (resid 62 and name HD12) (resid 62 and name HB2) 2.349 0.689 2.189 weight 1.000 ! spec=HCH_al, no=1789, id=3879, vol=1.310000e+07
    or (resid   62 and name HD11) (resid   62 and name  HB2)
    or (resid   62 and name HD13) (resid   62 and name  HB2)
assign (resid 62 and name HD22) (resid 62 and name HB2) 2.246 0.631 2.131 weight 1.000 ! spec=HCH_al, no=1790, id=3880, vol=1.710000e+07
    or (resid   62 and name HD21) (resid   62 and name  HB2)
    or (resid   62 and name HD23) (resid   62 and name  HB2)
assign (resid 62 and name HD22) (resid 62 and name HB1) 2.291 0.656 2.156 weight 1.000 ! spec=HCH_al, no=1791, id=3881, vol=1.520000e+07
    or (resid   62 and name HD21) (resid   62 and name  HB1)
    or (resid   62 and name HD23) (resid   62 and name  HB1)
assign (resid 65 and name HN) (resid 64 and name HB) 3.073 1.180 2.68 weight 1.000 ! spec=HCH_al, no=1805, id=3882, vol=2.610000e+06
assign (resid 64 and name HB) (resid 64 and name HA) 2.240 0.627 2.127 weight 1.000 ! spec=HCH_al, no=1807, id=3884, vol=1.740000e+07
assign (resid 64 and name HB) (resid 63 and name HB2) 3.643 1.659 3.159 weight 1.000 ! spec=HCH_al, no=1808, id=3885, vol=9.410000e+05
assign (resid 64 and name HB) (resid 64 and name HG12) 2.383 0.710 2.21 weight 1.000 ! spec=HCH_al, no=1810, id=3886, vol=1.200000e+07
    or (resid   64 and name   HB) (resid   64 and name HG11)
assign (resid 64 and name HG22) (resid 64 and name HG12) 1.957 0.479 1.979 weight 1.000 ! spec=HCH_al, no=1814, id=3890, vol=3.910000e+07
    or (resid   64 and name HG22) (resid   64 and name HG11)
    or (resid   64 and name HG21) (resid   64 and name HG12)
    or (resid   64 and name HG21) (resid   64 and name HG11)
    or (resid   64 and name HG23) (resid   64 and name HG12)
    or (resid   64 and name HG23) (resid   64 and name HG11)
assign (resid 64 and name HD12) (resid 61 and name HN) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_al, no=1816, id=3892, vol=2.370000e+06
    or (resid   64 and name HD11) (resid   61 and name   HN)
    or (resid   64 and name HD13) (resid   61 and name   HN)
assign (resid 64 and name HB) (resid 64 and name HD12) 2.007 0.504 2.004 weight 1.000 ! spec=HCH_al, no=1818, id=3893, vol=3.360000e+07
    or (resid   64 and name   HB) (resid   64 and name HD11)
    or (resid   64 and name   HB) (resid   64 and name HD13)
assign (resid 64 and name HD12) (resid 64 and name HG12) 1.816 0.412 1.912 weight 1.000 ! spec=HCH_al, no=1819, id=3894, vol=6.120000e+07
    or (resid   64 and name HD12) (resid   64 and name HG11)
    or (resid   64 and name HD11) (resid   64 and name HG12)
    or (resid   64 and name HD11) (resid   64 and name HG11)
    or (resid   64 and name HD13) (resid   64 and name HG12)
    or (resid   64 and name HD13) (resid   64 and name HG11)
assign (resid 67 and name HN) (resid 67 and name HG2) 3.016 1.137 2.637 weight 1.000 ! spec=HCH_al, no=1839, id=3896, vol=2.920000e+06
assign (resid 67 and name HG2) (resid 67 and name HD2) 2.952 1.089 2.589 weight 1.000 ! spec=HCH_al, no=1840, id=3897, vol=3.320000e+06
assign (resid 67 and name HN) (resid 67 and name HG1) 3.009 1.132 2.632 weight 1.000 ! spec=HCH_al, no=1842, id=3899, vol=2.960000e+06
assign (resid 69 and name HN) (resid 68 and name HA) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=1848, id=3903, vol=1.440000e+07
assign (resid 68 and name HN) (resid 68 and name HA) 2.941 1.081 2.581 weight 1.000 ! spec=HCH_al, no=1849, id=3904, vol=3.400000e+06
assign (resid 79 and name HN) (resid 68 and name HA) 2.607 0.850 2.35 weight 1.000 ! spec=HCH_al, no=1850, id=3905, vol=7.000000e+06
assign (resid 68 and name HA) (resid 68 and name HD1) 2.692 0.906 2.406 weight 1.000 ! spec=HCH_al, no=1851, id=3906, vol=5.780000e+06
    or (resid   68 and name   HA) (resid   68 and name  HD2)
assign (resid 68 and name HA) (resid 79 and name HA) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=1854, id=3908, vol=1.410000e+06
assign (resid 68 and name HA) (resid 68 and name HB1) 2.535 0.803 2.303 weight 1.000 ! spec=HCH_al, no=1856, id=3909, vol=8.290000e+06
assign (resid 68 and name HA) (resid 79 and name HG1) 3.474 1.509 3.009 weight 1.000 ! spec=HCH_al, no=1857, id=3910, vol=1.250000e+06
assign (resid 68 and name HA) (resid 69 and name HB2) 3.179 1.263 2.763 weight 1.000 ! spec=HCH_al, no=1858, id=3911, vol=2.130000e+06
assign (resid 68 and name HA) (resid 69 and name HD12) 3.275 1.341 2.841 weight 1.000 ! spec=HCH_al, no=1859, id=3912, vol=1.780000e+06
    or (resid   68 and name   HA) (resid   69 and name HD11)
    or (resid   68 and name   HA) (resid   69 and name HD13)
assign (resid 68 and name HA) (resid 78 and name HD22) 2.755 0.949 2.449 weight 1.000 ! spec=HCH_al, no=1860, id=3913, vol=5.030000e+06
    or (resid   68 and name   HA) (resid   78 and name HD21)
    or (resid   68 and name   HA) (resid   78 and name HD23)
assign (resid 69 and name HN) (resid 68 and name HB2) 3.030 1.148 2.648 weight 1.000 ! spec=HCH_al, no=1862, id=3915, vol=2.840000e+06
assign (resid 68 and name HB2) (resid 76 and name HZ3) 3.189 1.271 2.771 weight 1.000 ! spec=HCH_al, no=1865, id=3918, vol=2.090000e+06
assign (resid 69 and name HN) (resid 68 and name HB1) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=1871, id=3923, vol=5.090000e+06
assign (resid 68 and name HB1) (resid 76 and name HE3) 2.765 0.956 2.456 weight 1.000 ! spec=HCH_al, no=1872, id=3924, vol=4.920000e+06
assign (resid 68 and name HB1) (resid 68 and name HD1) 2.596 0.842 2.342 weight 1.000 ! spec=HCH_al, no=1873, id=3925, vol=7.180000e+06
    or (resid   68 and name  HB1) (resid   68 and name  HD2)
assign (resid 68 and name HB1) (resid 78 and name HA) 3.600 1.620 3.12 weight 1.000 ! spec=HCH_al, no=1876, id=3928, vol=1.010000e+06
assign (resid 68 and name HB2) (resid 68 and name HB1) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=1877, id=3929, vol=1.440000e+07
assign (resid 68 and name HB1) (resid 62 and name HD12) 2.978 1.109 2.609 weight 1.000 ! spec=HCH_al, no=1879, id=3930, vol=3.150000e+06
    or (resid   68 and name  HB1) (resid   62 and name HD11)
    or (resid   68 and name  HB1) (resid   62 and name HD13)
assign (resid 69 and name HG) (resid 69 and name HN) 3.409 1.453 2.953 weight 1.000 ! spec=HCH_al, no=1913, id=3931, vol=1.400000e+06
assign (resid 69 and name HG) (resid 69 and name HA) 3.275 1.341 2.841 weight 1.000 ! spec=HCH_al, no=1915, id=3933, vol=1.780000e+06
assign (resid 69 and name HG) (resid 79 and name HA) 3.682 1.695 3.195 weight 1.000 ! spec=HCH_al, no=1916, id=3934, vol=8.820000e+05
assign (resid 69 and name HG) (resid 69 and name HB2) 2.556 0.816 2.316 weight 1.000 ! spec=HCH_al, no=1917, id=3935, vol=7.890000e+06
assign (resid 69 and name HD22) (resid 69 and name HA) 2.918 1.064 2.564 weight 1.000 ! spec=HCH_al, no=1920, id=3936, vol=3.560000e+06
    or (resid   69 and name HD21) (resid   69 and name   HA)
    or (resid   69 and name HD23) (resid   69 and name   HA)
assign (resid 76 and name HE1) (resid 70 and name HB2) 2.818 0.993 2.493 weight 1.000 ! spec=HCH_al, no=1936, id=3937, vol=4.390000e+06
    or (resid   76 and name  HE1) (resid   70 and name  HB1)
    or (resid   76 and name  HE1) (resid   70 and name  HB3)
assign (resid 70 and name HN) (resid 70 and name HB2) 1.947 0.474 1.974 weight 1.000 ! spec=HCH_al, no=1938, id=3939, vol=4.030000e+07
    or (resid   70 and name   HN) (resid   70 and name  HB1)
    or (resid   70 and name   HN) (resid   70 and name  HB3)
assign (resid 70 and name HB2) (resid 76 and name HE3) 2.961 1.096 2.596 weight 1.000 ! spec=HCH_al, no=1939, id=3940, vol=3.260000e+06
    or (resid   70 and name  HB1) (resid   76 and name  HE3)
    or (resid   70 and name  HB3) (resid   76 and name  HE3)
assign (resid 70 and name HB2) (resid 76 and name HZ2) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_al, no=1941, id=3942, vol=7.170000e+06
    or (resid   70 and name  HB1) (resid   76 and name  HZ2)
    or (resid   70 and name  HB3) (resid   76 and name  HZ2)
assign (resid 70 and name HB2) (resid 76 and name HA) 2.790 0.973 2.473 weight 1.000 ! spec=HCH_al, no=1943, id=3943, vol=4.660000e+06
    or (resid   70 and name  HB1) (resid   76 and name   HA)
    or (resid   70 and name  HB3) (resid   76 and name   HA)
assign (resid 70 and name HB2) (resid 71 and name HA) 3.148 1.238 2.738 weight 1.000 ! spec=HCH_al, no=1945, id=3945, vol=2.260000e+06
    or (resid   70 and name  HB1) (resid   71 and name   HA)
    or (resid   70 and name  HB3) (resid   71 and name   HA)
assign (resid 70 and name HB2) (resid 74 and name HA) 3.145 1.237 2.737 weight 1.000 ! spec=HCH_al, no=1946, id=3946, vol=2.270000e+06
    or (resid   70 and name  HB1) (resid   74 and name   HA)
    or (resid   70 and name  HB3) (resid   74 and name   HA)
assign (resid 70 and name HB2) (resid 70 and name HA) 1.999 0.500 2 weight 1.000 ! spec=HCH_al, no=1947, id=3947, vol=3.440000e+07
    or (resid   70 and name  HB1) (resid   70 and name   HA)
    or (resid   70 and name  HB3) (resid   70 and name   HA)
assign (resid 70 and name HB2) (resid 76 and name HB2) 3.202 1.281 2.781 weight 1.000 ! spec=HCH_al, no=1948, id=3948, vol=2.040000e+06
    or (resid   70 and name  HB2) (resid   76 and name  HB1)
    or (resid   70 and name  HB1) (resid   76 and name  HB2)
    or (resid   70 and name  HB1) (resid   76 and name  HB1)
    or (resid   70 and name  HB3) (resid   76 and name  HB2)
    or (resid   70 and name  HB3) (resid   76 and name  HB1)
assign (resid 71 and name HN) (resid 71 and name HG) 2.605 0.848 2.348 weight 1.000 ! spec=HCH_al, no=1963, id=3951, vol=7.040000e+06
assign (resid 71 and name HG) (resid 76 and name HA) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=1964, id=3952, vol=1.550000e+06
assign (resid 71 and name HG) (resid 71 and name HA) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=1965, id=3953, vol=5.330000e+06
assign (resid 71 and name HG) (resid 71 and name HB2) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=1967, id=3955, vol=1.150000e+07
assign (resid 71 and name HD12) (resid 71 and name HB2) 2.200 0.605 2.105 weight 1.000 ! spec=HCH_al, no=1970, id=3958, vol=1.940000e+07
    or (resid   71 and name HD11) (resid   71 and name  HB2)
    or (resid   71 and name HD13) (resid   71 and name  HB2)
assign (resid 73 and name HB2) (resid 73 and name HA) 2.355 0.693 2.193 weight 1.000 ! spec=HCH_al, no=1992, id=3959, vol=1.290000e+07
assign (resid 73 and name HB2) (resid 73 and name HB1) 2.003 0.502 2.002 weight 1.000 ! spec=HCH_al, no=1994, id=3960, vol=3.400000e+07
assign (resid 73 and name HB1) (resid 73 and name HN) 3.132 1.226 2.726 weight 1.000 ! spec=HCH_al, no=1995, id=3961, vol=2.330000e+06
assign (resid 73 and name HB1) (resid 73 and name HA) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=1996, id=3962, vol=1.180000e+07
assign (resid 74 and name HB2) (resid 74 and name HA) 2.458 0.755 2.255 weight 1.000 ! spec=HCH_al, no=2000, id=3964, vol=9.960000e+06
    or (resid   74 and name  HB1) (resid   74 and name   HA)
assign (resid 74 and name HG2) (resid 73 and name HA) 3.046 1.160 2.66 weight 1.000 ! spec=HCH_al, no=2005, id=3968, vol=2.750000e+06
    or (resid   74 and name  HG1) (resid   73 and name   HA)
assign (resid 74 and name HN) (resid 75 and name HG21) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=2029, id=3971, vol=5.380000e+06
    or (resid   74 and name   HN) (resid   75 and name HG22)
    or (resid   74 and name   HN) (resid   75 and name HG23)
assign (resid 31 and name HG12) (resid 30 and name HA) 2.875 1.033 2.533 weight 1.000 ! spec=HCH_al, no=2030, id=3972, vol=3.890000e+06
    or (resid   31 and name HG11) (resid   30 and name   HA)
    or (resid   31 and name HG13) (resid   30 and name   HA)
assign (resid 75 and name HG21) (resid 32 and name HA) 2.020 0.510 2.01 weight 1.000 ! spec=HCH_al, no=2031, id=3973, vol=3.240000e+07
    or (resid   75 and name HG22) (resid   32 and name   HA)
    or (resid   75 and name HG23) (resid   32 and name   HA)
assign (resid 75 and name HG21) (resid 75 and name HB) 1.919 0.460 1.96 weight 1.000 ! spec=HCH_al, no=2033, id=3975, vol=4.400000e+07
    or (resid   75 and name HG22) (resid   75 and name   HB)
    or (resid   75 and name HG23) (resid   75 and name   HB)
assign (resid 77 and name HN) (resid 76 and name HA) 2.178 0.593 2.093 weight 1.000 ! spec=HCH_al, no=2038, id=3979, vol=2.060000e+07
assign (resid 71 and name HN) (resid 76 and name HA) 2.690 0.905 2.405 weight 1.000 ! spec=HCH_al, no=2039, id=3980, vol=5.800000e+06
assign (resid 76 and name HA) (resid 70 and name HA) 2.480 0.769 2.269 weight 1.000 ! spec=HCH_al, no=2042, id=3981, vol=9.440000e+06
assign (resid 76 and name HA) (resid 76 and name HB2) 2.483 0.770 2.27 weight 1.000 ! spec=HCH_al, no=2043, id=3982, vol=9.390000e+06
    or (resid   76 and name   HA) (resid   76 and name  HB1)
assign (resid 31 and name HN) (resid 76 and name HB2) 3.484 1.517 3.017 weight 1.000 ! spec=HCH_al, no=2046, id=3985, vol=1.230000e+06
    or (resid   31 and name   HN) (resid   76 and name  HB1)
assign (resid 76 and name HB2) (resid 76 and name HE3) 2.768 0.958 2.458 weight 1.000 ! spec=HCH_al, no=2049, id=3988, vol=4.890000e+06
    or (resid   76 and name  HB1) (resid   76 and name  HE3)
assign (resid 76 and name HB2) (resid 69 and name HA) 3.470 1.505 3.005 weight 1.000 ! spec=HCH_al, no=2052, id=3991, vol=1.260000e+06
    or (resid   76 and name  HB1) (resid   69 and name   HA)
assign (resid 25 and name HN) (resid 78 and name HD12) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2119, id=4002, vol=1.050000e+07
    or (resid   25 and name   HN) (resid   78 and name HD11)
    or (resid   25 and name   HN) (resid   78 and name HD13)
assign (resid 78 and name HD12) (resid 21 and name HD2) 2.810 0.987 2.487 weight 1.000 ! spec=HCH_al, no=2121, id=4004, vol=4.460000e+06
    or (resid   78 and name HD11) (resid   21 and name  HD2)
    or (resid   78 and name HD13) (resid   21 and name  HD2)
assign (resid 25 and name HA) (resid 78 and name HD12) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=2123, id=4006, vol=1.150000e+07
    or (resid   25 and name   HA) (resid   78 and name HD11)
    or (resid   25 and name   HA) (resid   78 and name HD13)
assign (resid 25 and name HG2) (resid 78 and name HD12) 2.583 0.834 2.334 weight 1.000 ! spec=HCH_al, no=2126, id=4009, vol=7.400000e+06
    or (resid   25 and name  HG2) (resid   78 and name HD11)
    or (resid   25 and name  HG2) (resid   78 and name HD13)
    or (resid   25 and name  HG1) (resid   78 and name HD12)
    or (resid   25 and name  HG1) (resid   78 and name HD11)
    or (resid   25 and name  HG1) (resid   78 and name HD13)
assign (resid 78 and name HD12) (resid 25 and name HB2) 2.240 0.627 2.127 weight 1.000 ! spec=HCH_al, no=2127, id=4010, vol=1.740000e+07
    or (resid   78 and name HD12) (resid   25 and name  HB1)
    or (resid   78 and name HD11) (resid   25 and name  HB2)
    or (resid   78 and name HD11) (resid   25 and name  HB1)
    or (resid   78 and name HD13) (resid   25 and name  HB2)
    or (resid   78 and name HD13) (resid   25 and name  HB1)
assign (resid 78 and name HD22) (resid 23 and name HN) 3.240 1.312 2.812 weight 1.000 ! spec=HCH_al, no=2129, id=4011, vol=1.900000e+06
    or (resid   78 and name HD21) (resid   23 and name   HN)
    or (resid   78 and name HD23) (resid   23 and name   HN)
assign (resid 79 and name HN) (resid 78 and name HD22) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2130, id=4012, vol=1.170000e+07
    or (resid   79 and name   HN) (resid   78 and name HD21)
    or (resid   79 and name   HN) (resid   78 and name HD23)
assign (resid 78 and name HD22) (resid 68 and name HZ) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=2131, id=4013, vol=9.570000e+06
    or (resid   78 and name HD21) (resid   68 and name   HZ)
    or (resid   78 and name HD23) (resid   68 and name   HZ)
assign (resid 78 and name HD22) (resid 68 and name HD1) 2.397 0.718 2.218 weight 1.000 ! spec=HCH_al, no=2132, id=4014, vol=1.160000e+07
    or (resid   78 and name HD22) (resid   68 and name  HD2)
    or (resid   78 and name HD21) (resid   68 and name  HD1)
    or (resid   78 and name HD21) (resid   68 and name  HD2)
    or (resid   78 and name HD23) (resid   68 and name  HD1)
    or (resid   78 and name HD23) (resid   68 and name  HD2)
assign (resid 78 and name HD22) (resid 68 and name HE1) 2.562 0.820 2.32 weight 1.000 ! spec=HCH_al, no=2133, id=4015, vol=7.780000e+06
    or (resid   78 and name HD22) (resid   68 and name  HE2)
    or (resid   78 and name HD21) (resid   68 and name  HE1)
    or (resid   78 and name HD21) (resid   68 and name  HE2)
    or (resid   78 and name HD23) (resid   68 and name  HE1)
    or (resid   78 and name HD23) (resid   68 and name  HE2)
assign (resid 78 and name HD22) (resid 21 and name HD2) 2.320 0.673 2.173 weight 1.000 ! spec=HCH_al, no=2134, id=4016, vol=1.410000e+07
    or (resid   78 and name HD21) (resid   21 and name  HD2)
    or (resid   78 and name HD23) (resid   21 and name  HD2)
assign (resid 78 and name HD22) (resid 78 and name HA) 2.120 0.562 2.062 weight 1.000 ! spec=HCH_al, no=2137, id=4019, vol=2.420000e+07
    or (resid   78 and name HD21) (resid   78 and name   HA)
    or (resid   78 and name HD23) (resid   78 and name   HA)
assign (resid 21 and name HA) (resid 78 and name HD22) 2.411 0.726 2.226 weight 1.000 ! spec=HCH_al, no=2138, id=4020, vol=1.120000e+07
    or (resid   21 and name   HA) (resid   78 and name HD21)
    or (resid   21 and name   HA) (resid   78 and name HD23)
assign (resid 24 and name HB2) (resid 78 and name HD22) 2.469 0.762 2.262 weight 1.000 ! spec=HCH_al, no=2141, id=4023, vol=9.710000e+06
    or (resid   24 and name  HB2) (resid   78 and name HD21)
    or (resid   24 and name  HB2) (resid   78 and name HD23)
assign (resid 24 and name HB1) (resid 78 and name HD22) 2.508 0.786 2.286 weight 1.000 ! spec=HCH_al, no=2142, id=4024, vol=8.830000e+06
    or (resid   24 and name  HB1) (resid   78 and name HD21)
    or (resid   24 and name  HB1) (resid   78 and name HD23)
assign (resid 78 and name HD22) (resid 25 and name HG2) 3.363 1.414 2.914 weight 1.000 ! spec=HCH_al, no=2143, id=4025, vol=1.520000e+06
    or (resid   78 and name HD22) (resid   25 and name  HG1)
    or (resid   78 and name HD21) (resid   25 and name  HG2)
    or (resid   78 and name HD21) (resid   25 and name  HG1)
    or (resid   78 and name HD23) (resid   25 and name  HG2)
    or (resid   78 and name HD23) (resid   25 and name  HG1)
assign (resid 78 and name HD22) (resid 25 and name HB2) 3.056 1.167 2.667 weight 1.000 ! spec=HCH_al, no=2144, id=4026, vol=2.700000e+06
    or (resid   78 and name HD22) (resid   25 and name  HB1)
    or (resid   78 and name HD21) (resid   25 and name  HB2)
    or (resid   78 and name HD21) (resid   25 and name  HB1)
    or (resid   78 and name HD23) (resid   25 and name  HB2)
    or (resid   78 and name HD23) (resid   25 and name  HB1)
assign (resid 78 and name HD22) (resid 20 and name HB2) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=2145, id=4027, vol=2.900000e+06
    or (resid   78 and name HD22) (resid   20 and name  HB1)
    or (resid   78 and name HD22) (resid   20 and name  HB3)
    or (resid   78 and name HD21) (resid   20 and name  HB2)
    or (resid   78 and name HD21) (resid   20 and name  HB1)
    or (resid   78 and name HD21) (resid   20 and name  HB3)
    or (resid   78 and name HD23) (resid   20 and name  HB2)
    or (resid   78 and name HD23) (resid   20 and name  HB1)
    or (resid   78 and name HD23) (resid   20 and name  HB3)
assign (resid 78 and name HD22) (resid 78 and name HB2) 2.296 0.659 2.159 weight 1.000 ! spec=HCH_al, no=2147, id=4028, vol=1.500000e+07
    or (resid   78 and name HD21) (resid   78 and name  HB2)
    or (resid   78 and name HD23) (resid   78 and name  HB2)
assign (resid 78 and name HD22) (resid 78 and name HB1) 2.457 0.754 2.254 weight 1.000 ! spec=HCH_al, no=2150, id=4030, vol=1.000000e+07
    or (resid   78 and name HD21) (resid   78 and name  HB1)
    or (resid   78 and name HD23) (resid   78 and name  HB1)
assign (resid 79 and name HN) (resid 79 and name HA) 2.573 0.827 2.327 weight 1.000 ! spec=HCH_al, no=2151, id=4031, vol=7.580000e+06
assign (resid 79 and name HA) (resid 82 and name HD1) 2.606 0.849 2.349 weight 1.000 ! spec=HCH_al, no=2152, id=4032, vol=7.010000e+06
    or (resid   79 and name   HA) (resid   82 and name  HD2)
assign (resid 79 and name HA) (resid 79 and name HB1) 2.265 0.641 2.141 weight 1.000 ! spec=HCH_al, no=2156, id=4035, vol=1.630000e+07
assign (resid 79 and name HB1) (resid 79 and name HN) 2.565 0.822 2.322 weight 1.000 ! spec=HCH_al, no=2161, id=4040, vol=7.720000e+06
assign (resid 79 and name HB1) (resid 67 and name HA) 3.493 1.525 3.025 weight 1.000 ! spec=HCH_al, no=2163, id=4042, vol=1.210000e+06
assign (resid 79 and name HG2) (resid 79 and name HA) 2.861 1.023 2.523 weight 1.000 ! spec=HCH_al, no=2167, id=4046, vol=4.010000e+06
assign (resid 79 and name HG2) (resid 79 and name HD2) 2.642 0.873 2.373 weight 1.000 ! spec=HCH_al, no=2168, id=4047, vol=6.460000e+06
assign (resid 79 and name HG1) (resid 79 and name HA) 2.777 0.964 2.464 weight 1.000 ! spec=HCH_al, no=2171, id=4050, vol=4.790000e+06
assign (resid 79 and name HG1) (resid 79 and name HD1) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=2172, id=4051, vol=5.330000e+06
assign (resid 81 and name HB2) (resid 81 and name HN) 2.832 1.003 2.503 weight 1.000 ! spec=HCH_al, no=2208, id=4052, vol=4.260000e+06
assign (resid 81 and name HB2) (resid 81 and name HA) 2.855 1.019 2.519 weight 1.000 ! spec=HCH_al, no=2210, id=4053, vol=4.060000e+06
assign (resid 81 and name HB1) (resid 81 and name HA) 2.686 0.902 2.402 weight 1.000 ! spec=HCH_al, no=2215, id=4057, vol=5.850000e+06
assign (resid 82 and name HB2) (resid 82 and name HN) 2.776 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2223, id=4059, vol=4.800000e+06
assign (resid 82 and name HB2) (resid 82 and name HA) 2.581 0.833 2.333 weight 1.000 ! spec=HCH_al, no=2226, id=4061, vol=7.430000e+06
assign (resid 82 and name HB2) (resid 83 and name HD2) 2.722 0.926 2.426 weight 1.000 ! spec=HCH_al, no=2227, id=4062, vol=5.400000e+06
    or (resid   82 and name  HB2) (resid   83 and name  HD1)
assign (resid 82 and name HB2) (resid 69 and name HD22) 3.249 1.319 2.819 weight 1.000 ! spec=HCH_al, no=2229, id=4064, vol=1.870000e+06
    or (resid   82 and name  HB2) (resid   69 and name HD21)
    or (resid   82 and name  HB2) (resid   69 and name HD23)
assign (resid 82 and name HB1) (resid 82 and name HA) 2.697 0.909 2.409 weight 1.000 ! spec=HCH_al, no=2232, id=4067, vol=5.710000e+06
assign (resid 82 and name HB1) (resid 83 and name HD2) 2.898 1.050 2.55 weight 1.000 ! spec=HCH_al, no=2233, id=4068, vol=3.710000e+06
    or (resid   82 and name  HB1) (resid   83 and name  HD1)
assign (resid 82 and name HB2) (resid 82 and name HB1) 2.132 0.568 2.068 weight 1.000 ! spec=HCH_al, no=2234, id=4069, vol=2.340000e+07
assign (resid 84 and name HN) (resid 83 and name HB2) 2.747 0.943 2.443 weight 1.000 ! spec=HCH_al, no=2241, id=4071, vol=5.120000e+06
assign (resid 83 and name HB2) (resid 83 and name HA) 2.204 0.607 2.107 weight 1.000 ! spec=HCH_al, no=2242, id=4072, vol=1.920000e+07
assign (resid 83 and name HB2) (resid 83 and name HG2) 1.991 0.495 1.995 weight 1.000 ! spec=HCH_al, no=2245, id=4074, vol=3.530000e+07
assign (resid 83 and name HB2) (resid 83 and name HB1) 1.786 0.399 1.899 weight 1.000 ! spec=HCH_al, no=2246, id=4075, vol=6.770000e+07
assign (resid 83 and name HB1) (resid 83 and name HA) 2.411 0.726 2.226 weight 1.000 ! spec=HCH_al, no=2247, id=4076, vol=1.120000e+07
assign (resid 83 and name HB1) (resid 83 and name HD2) 2.429 0.738 2.238 weight 1.000 ! spec=HCH_al, no=2248, id=4077, vol=1.070000e+07
    or (resid   83 and name  HB1) (resid   83 and name  HD1)
assign (resid 83 and name HG2) (resid 82 and name HD1) 3.181 1.265 2.765 weight 1.000 ! spec=HCH_al, no=2251, id=4079, vol=2.120000e+06
    or (resid   83 and name  HG2) (resid   82 and name  HD2)
assign (resid 83 and name HG2) (resid 83 and name HD2) 2.143 0.574 2.074 weight 1.000 ! spec=HCH_al, no=2254, id=4081, vol=2.270000e+07
    or (resid   83 and name  HG2) (resid   83 and name  HD1)
assign (resid 83 and name HG1) (resid 82 and name HD1) 3.314 1.373 2.873 weight 1.000 ! spec=HCH_al, no=2258, id=4084, vol=1.660000e+06
    or (resid   83 and name  HG1) (resid   82 and name  HD2)
assign (resid 83 and name HG1) (resid 82 and name HA) 3.254 1.324 2.824 weight 1.000 ! spec=HCH_al, no=2259, id=4085, vol=1.850000e+06
assign (resid 84 and name HB2) (resid 84 and name HA) 2.260 0.638 2.138 weight 1.000 ! spec=HCH_al, no=2281, id=4089, vol=1.650000e+07
assign (resid 84 and name HB1) (resid 82 and name HE1) 3.234 1.308 2.808 weight 1.000 ! spec=HCH_al, no=2288, id=4095, vol=1.920000e+06
    or (resid   84 and name  HB1) (resid   82 and name  HE2)
assign (resid 84 and name HB1) (resid 84 and name HA) 2.309 0.666 2.166 weight 1.000 ! spec=HCH_al, no=2289, id=4096, vol=1.450000e+07
assign (resid 84 and name HB2) (resid 84 and name HB1) 1.688 0.356 1.856 weight 1.000 ! spec=HCH_al, no=2290, id=4097, vol=9.500000e+07
assign (resid 86 and name HB1) (resid 92 and name HG2) 1.754 0.384 1.884 weight 1.000 ! spec=HCH_al, no=2300, id=4098, vol=7.560000e+07
    or (resid   86 and name  HB1) (resid   92 and name  HG1)
assign (resid 86 and name HG1) (resid 86 and name HN) 2.453 0.752 2.252 weight 1.000 ! spec=HCH_al, no=2334, id=4105, vol=1.010000e+07
assign (resid 94 and name HN) (resid 94 and name HB2) 2.289 0.655 2.155 weight 1.000 ! spec=HCH_al, no=2348, id=4108, vol=1.530000e+07
    or (resid   94 and name   HN) (resid   94 and name  HB1)
assign (resid 94 and name HB2) (resid 94 and name HA) 2.198 0.604 2.104 weight 1.000 ! spec=HCH_al, no=2349, id=4109, vol=1.950000e+07
    or (resid   94 and name  HB1) (resid   94 and name   HA)
assign (resid 94 and name HG1) (resid 94 and name HA) 2.761 0.953 2.453 weight 1.000 ! spec=HCH_al, no=2351, id=4111, vol=4.960000e+06
assign (resid 96 and name HB2) (resid 96 and name HA) 2.665 0.888 2.388 weight 1.000 ! spec=HCH_al, no=2354, id=4112, vol=6.140000e+06
assign (resid 96 and name HB1) (resid 96 and name HA) 2.514 0.790 2.29 weight 1.000 ! spec=HCH_al, no=2358, id=4115, vol=8.700000e+06
assign (resid 3 and name HG22) (resid 3 and name HG11) 1.974 0.487 1.987 weight 1.000 ! spec=HCH_al, no=2370, id=4116, vol=3.710000e+07
    or (resid    3 and name HG21) (resid    3 and name HG11)
    or (resid    3 and name HG23) (resid    3 and name HG11)
assign (resid 3 and name HG22) (resid 3 and name HB) 1.879 0.441 1.941 weight 1.000 ! spec=HCH_al, no=2373, id=4119, vol=5.000000e+07
    or (resid    3 and name HG21) (resid    3 and name   HB)
    or (resid    3 and name HG23) (resid    3 and name   HB)
assign (resid 3 and name HG22) (resid 26 and name HB2) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=2374, id=4120, vol=1.440000e+07
    or (resid    3 and name HG21) (resid   26 and name  HB2)
    or (resid    3 and name HG23) (resid   26 and name  HB2)
assign (resid 3 and name HG22) (resid 26 and name HG2) 2.279 0.649 2.149 weight 1.000 ! spec=HCH_al, no=2375, id=4121, vol=1.570000e+07
    or (resid    3 and name HG22) (resid   26 and name  HG1)
    or (resid    3 and name HG21) (resid   26 and name  HG2)
    or (resid    3 and name HG21) (resid   26 and name  HG1)
    or (resid    3 and name HG23) (resid   26 and name  HG2)
    or (resid    3 and name HG23) (resid   26 and name  HG1)
assign (resid 3 and name HG22) (resid 22 and name HG1) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=2376, id=4122, vol=3.740000e+06
    or (resid    3 and name HG21) (resid   22 and name  HG1)
    or (resid    3 and name HG23) (resid   22 and name  HG1)
assign (resid 3 and name HG22) (resid 6 and name HE1) 2.913 1.060 2.56 weight 1.000 ! spec=HCH_al, no=2382, id=4128, vol=3.600000e+06
    or (resid    3 and name HG22) (resid    6 and name  HE2)
    or (resid    3 and name HG21) (resid    6 and name  HE1)
    or (resid    3 and name HG21) (resid    6 and name  HE2)
    or (resid    3 and name HG23) (resid    6 and name  HE1)
    or (resid    3 and name HG23) (resid    6 and name  HE2)
assign (resid 6 and name HN) (resid 3 and name HG22) 3.189 1.271 2.771 weight 1.000 ! spec=HCH_al, no=2383, id=4129, vol=2.090000e+06
    or (resid    6 and name   HN) (resid    3 and name HG21)
    or (resid    6 and name   HN) (resid    3 and name HG23)
assign (resid 4 and name HN) (resid 3 and name HG22) 2.131 0.567 2.067 weight 1.000 ! spec=HCH_al, no=2386, id=4130, vol=2.350000e+07
    or (resid    4 and name   HN) (resid    3 and name HG21)
    or (resid    4 and name   HN) (resid    3 and name HG23)
assign (resid 3 and name HG22) (resid 23 and name HN) 2.878 1.035 2.535 weight 1.000 ! spec=HCH_al, no=2387, id=4131, vol=3.870000e+06
    or (resid    3 and name HG21) (resid   23 and name   HN)
    or (resid    3 and name HG23) (resid   23 and name   HN)
assign (resid 3 and name HN) (resid 3 and name HG22) 2.687 0.903 2.403 weight 1.000 ! spec=HCH_al, no=2388, id=4132, vol=5.840000e+06
    or (resid    3 and name   HN) (resid    3 and name HG21)
    or (resid    3 and name   HN) (resid    3 and name HG23)
assign (resid 3 and name HG11) (resid 3 and name HA) 2.848 1.014 2.514 weight 1.000 ! spec=HCH_al, no=2391, id=4134, vol=4.120000e+06
assign (resid 3 and name HD12) (resid 6 and name HB2) 3.210 1.288 2.788 weight 1.000 ! spec=HCH_al, no=2392, id=4135, vol=2.010000e+06
    or (resid    3 and name HD11) (resid    6 and name  HB2)
    or (resid    3 and name HD13) (resid    6 and name  HB2)
assign (resid 3 and name HD12) (resid 25 and name HN) 3.366 1.417 2.917 weight 1.000 ! spec=HCH_al, no=2395, id=4136, vol=1.510000e+06
    or (resid    3 and name HD11) (resid   25 and name   HN)
    or (resid    3 and name HD13) (resid   25 and name   HN)
assign (resid 3 and name HD12) (resid 3 and name HN) 3.169 1.255 2.755 weight 1.000 ! spec=HCH_al, no=2397, id=4137, vol=2.170000e+06
    or (resid    3 and name HD11) (resid    3 and name   HN)
    or (resid    3 and name HD13) (resid    3 and name   HN)
assign (resid 71 and name HG) (resid 71 and name HD22) 2.325 0.676 2.176 weight 1.000 ! spec=HCH_al, no=2399, id=4139, vol=1.390000e+07
    or (resid   71 and name   HG) (resid   71 and name HD21)
    or (resid   71 and name   HG) (resid   71 and name HD23)
assign (resid 48 and name HB1) (resid 49 and name HN) 2.757 0.950 2.45 weight 1.000 ! spec=HCH_al, no=2406, id=4143, vol=5.010000e+06
assign (resid 12 and name HG1) (resid 12 and name HE2) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2409, id=4146, vol=1.050000e+07
    or (resid   12 and name  HG1) (resid   12 and name  HE1)
assign (resid 4 and name HN) (resid 4 and name HG2) 2.429 0.738 2.238 weight 1.000 ! spec=HCH_al, no=2412, id=4148, vol=1.070000e+07
assign (resid 4 and name HG1) (resid 4 and name HE2) 2.783 0.968 2.468 weight 1.000 ! spec=HCH_al, no=2413, id=4149, vol=4.730000e+06
    or (resid    4 and name  HG1) (resid    4 and name  HE1)
assign (resid 4 and name HG1) (resid 4 and name HA) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2414, id=4150, vol=1.050000e+07
assign (resid 4 and name HG1) (resid 4 and name HN) 2.603 0.847 2.347 weight 1.000 ! spec=HCH_al, no=2415, id=4151, vol=7.060000e+06
assign (resid 29 and name HB2) (resid 29 and name HA) 2.611 0.852 2.352 weight 1.000 ! spec=HCH_al, no=2423, id=4157, vol=6.940000e+06
assign (resid 5 and name HE21) (resid 5 and name HG1) 2.660 0.884 2.384 weight 1.000 ! spec=HCH_al, no=2425, id=4159, vol=6.210000e+06
assign (resid 5 and name HB2) (resid 5 and name HA) 2.291 0.656 2.156 weight 1.000 ! spec=HCH_al, no=2427, id=4161, vol=1.520000e+07
    or (resid    5 and name  HB1) (resid    5 and name   HA)
assign (resid 6 and name HB2) (resid 6 and name HA) 2.565 0.822 2.322 weight 1.000 ! spec=HCH_al, no=2430, id=4164, vol=7.720000e+06
assign (resid 8 and name HG1) (resid 7 and name HA) 3.426 1.467 2.967 weight 1.000 ! spec=HCH_al, no=2446, id=4173, vol=1.360000e+06
assign (resid 8 and name HN) (resid 8 and name HG1) 2.767 0.957 2.457 weight 1.000 ! spec=HCH_al, no=2448, id=4175, vol=4.900000e+06
assign (resid 49 and name HB2) (resid 49 and name HA) 2.166 0.586 2.086 weight 1.000 ! spec=HCH_al, no=2450, id=4176, vol=2.130000e+07
    or (resid   49 and name  HB1) (resid   49 and name   HA)
assign (resid 9 and name HB2) (resid 10 and name HN) 2.801 0.981 2.481 weight 1.000 ! spec=HCH_al, no=2455, id=4181, vol=4.550000e+06
assign (resid 9 and name HB1) (resid 9 and name HA) 2.492 0.776 2.276 weight 1.000 ! spec=HCH_al, no=2458, id=4184, vol=9.180000e+06
assign (resid 9 and name HB2) (resid 9 and name HA) 2.534 0.803 2.303 weight 1.000 ! spec=HCH_al, no=2459, id=4185, vol=8.300000e+06
assign (resid 49 and name HG1) (resid 49 and name HA) 2.386 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2461, id=4187, vol=1.190000e+07
assign (resid 25 and name HG2) (resid 22 and name HA) 2.281 0.650 2.15 weight 1.000 ! spec=HCH_al, no=2462, id=4188, vol=1.560000e+07
    or (resid   25 and name  HG1) (resid   22 and name   HA)
assign (resid 10 and name HB1) (resid 6 and name HB1) 3.320 1.378 2.878 weight 1.000 ! spec=HCH_al, no=2471, id=4195, vol=1.640000e+06
assign (resid 11 and name HD12) (resid 8 and name HA) 2.109 0.556 2.056 weight 1.000 ! spec=HCH_al, no=2484, id=4199, vol=2.500000e+07
    or (resid   11 and name HD11) (resid    8 and name   HA)
    or (resid   11 and name HD13) (resid    8 and name   HA)
assign (resid 11 and name HD12) (resid 11 and name HN) 2.473 0.764 2.264 weight 1.000 ! spec=HCH_al, no=2487, id=4201, vol=9.610000e+06
    or (resid   11 and name HD11) (resid   11 and name   HN)
    or (resid   11 and name HD13) (resid   11 and name   HN)
assign (resid 11 and name HD12) (resid 11 and name HB1) 2.213 0.612 2.112 weight 1.000 ! spec=HCH_al, no=2488, id=4202, vol=1.870000e+07
    or (resid   11 and name HD11) (resid   11 and name  HB1)
    or (resid   11 and name HD13) (resid   11 and name  HB1)
assign (resid 11 and name HD22) (resid 11 and name HG) 1.914 0.458 1.958 weight 1.000 ! spec=HCH_al, no=2491, id=4205, vol=4.470000e+07
    or (resid   11 and name HD21) (resid   11 and name   HG)
    or (resid   11 and name HD23) (resid   11 and name   HG)
assign (resid 11 and name HD22) (resid 3 and name HB) 2.117 0.560 2.06 weight 1.000 ! spec=HCH_al, no=2493, id=4206, vol=2.440000e+07
    or (resid   11 and name HD21) (resid    3 and name   HB)
    or (resid   11 and name HD23) (resid    3 and name   HB)
assign (resid 6 and name HB1) (resid 11 and name HD22) 2.289 0.655 2.155 weight 1.000 ! spec=HCH_al, no=2494, id=4207, vol=1.530000e+07
    or (resid    6 and name  HB1) (resid   11 and name HD21)
    or (resid    6 and name  HB1) (resid   11 and name HD23)
assign (resid 11 and name HD22) (resid 19 and name HA) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_al, no=2497, id=4210, vol=5.350000e+06
    or (resid   11 and name HD21) (resid   19 and name   HA)
    or (resid   11 and name HD23) (resid   19 and name   HA)
assign (resid 11 and name HD22) (resid 11 and name HA) 1.894 0.448 1.948 weight 1.000 ! spec=HCH_al, no=2498, id=4211, vol=4.760000e+07
    or (resid   11 and name HD21) (resid   11 and name   HA)
    or (resid   11 and name HD23) (resid   11 and name   HA)
assign (resid 69 and name HD12) (resid 69 and name HA) 1.992 0.496 1.996 weight 1.000 ! spec=HCH_al, no=2500, id=4213, vol=3.520000e+07
    or (resid   69 and name HD11) (resid   69 and name   HA)
    or (resid   69 and name HD13) (resid   69 and name   HA)
assign (resid 69 and name HN) (resid 69 and name HD12) 2.732 0.933 2.433 weight 1.000 ! spec=HCH_al, no=2504, id=4217, vol=5.290000e+06
    or (resid   69 and name   HN) (resid   69 and name HD11)
    or (resid   69 and name   HN) (resid   69 and name HD13)
assign (resid 12 and name HB2) (resid 12 and name HG1) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_al, no=2506, id=4218, vol=1.460000e+07
assign (resid 12 and name HB2) (resid 12 and name HD2) 1.833 0.420 1.92 weight 1.000 ! spec=HCH_al, no=2507, id=4219, vol=5.790000e+07
    or (resid   12 and name  HB2) (resid   12 and name  HD1)
assign (resid 12 and name HB1) (resid 12 and name HE2) 2.980 1.110 2.61 weight 1.000 ! spec=HCH_al, no=2508, id=4220, vol=3.140000e+06
    or (resid   12 and name  HB1) (resid   12 and name  HE1)
assign (resid 12 and name HB2) (resid 12 and name HE2) 2.895 1.048 2.548 weight 1.000 ! spec=HCH_al, no=2509, id=4221, vol=3.730000e+06
    or (resid   12 and name  HB2) (resid   12 and name  HE1)
assign (resid 12 and name HB1) (resid 44 and name HD22) 2.978 1.109 2.609 weight 1.000 ! spec=HCH_al, no=2512, id=4224, vol=3.150000e+06
    or (resid   12 and name  HB1) (resid   44 and name HD21)
    or (resid   12 and name  HB1) (resid   44 and name HD23)
    or (resid   12 and name  HB1) (resid   44 and name HD12)
    or (resid   12 and name  HB1) (resid   44 and name HD11)
    or (resid   12 and name  HB1) (resid   44 and name HD13)
assign (resid 12 and name HG2) (resid 12 and name HB2) 2.007 0.504 2.004 weight 1.000 ! spec=HCH_al, no=2513, id=4225, vol=3.360000e+07
assign (resid 13 and name HN) (resid 12 and name HG2) 3.176 1.261 2.761 weight 1.000 ! spec=HCH_al, no=2514, id=4226, vol=2.140000e+06
assign (resid 14 and name HB2) (resid 11 and name HA) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=2526, id=4234, vol=5.440000e+06
    or (resid   14 and name  HB1) (resid   11 and name   HA)
assign (resid 14 and name HG1) (resid 13 and name HN) 3.150 1.240 2.74 weight 1.000 ! spec=HCH_al, no=2529, id=4237, vol=2.250000e+06
assign (resid 14 and name HB2) (resid 14 and name HE2) 1.715 0.368 1.868 weight 1.000 ! spec=HCH_al, no=2532, id=4239, vol=8.630000e+07
    or (resid   14 and name  HB2) (resid   14 and name  HE1)
    or (resid   14 and name  HB2) (resid   14 and name  HE3)
    or (resid   14 and name  HB1) (resid   14 and name  HE2)
    or (resid   14 and name  HB1) (resid   14 and name  HE1)
    or (resid   14 and name  HB1) (resid   14 and name  HE3)
assign (resid 14 and name HE2) (resid 18 and name HB1) 2.075 0.538 2.038 weight 1.000 ! spec=HCH_al, no=2533, id=4240, vol=2.750000e+07
    or (resid   14 and name  HE1) (resid   18 and name  HB1)
    or (resid   14 and name  HE3) (resid   18 and name  HB1)
assign (resid 14 and name HE2) (resid 18 and name HB2) 1.962 0.481 1.981 weight 1.000 ! spec=HCH_al, no=2534, id=4241, vol=3.850000e+07
    or (resid   14 and name  HE1) (resid   18 and name  HB2)
    or (resid   14 and name  HE3) (resid   18 and name  HB2)
assign (resid 14 and name HG1) (resid 14 and name HE2) 1.846 0.426 1.926 weight 1.000 ! spec=HCH_al, no=2536, id=4243, vol=5.550000e+07
    or (resid   14 and name  HG1) (resid   14 and name  HE1)
    or (resid   14 and name  HG1) (resid   14 and name  HE3)
assign (resid 14 and name HE2) (resid 19 and name HA) 2.106 0.554 2.054 weight 1.000 ! spec=HCH_al, no=2538, id=4245, vol=2.520000e+07
    or (resid   14 and name  HE1) (resid   19 and name   HA)
    or (resid   14 and name  HE3) (resid   19 and name   HA)
assign (resid 14 and name HE2) (resid 19 and name HN) 2.340 0.684 2.184 weight 1.000 ! spec=HCH_al, no=2545, id=4252, vol=1.340000e+07
    or (resid   14 and name  HE1) (resid   19 and name   HN)
    or (resid   14 and name  HE3) (resid   19 and name   HN)
assign (resid 14 and name HE2) (resid 15 and name HN) 2.418 0.731 2.231 weight 1.000 ! spec=HCH_al, no=2546, id=4253, vol=1.100000e+07
    or (resid   14 and name  HE1) (resid   15 and name   HN)
    or (resid   14 and name  HE3) (resid   15 and name   HN)
assign (resid 71 and name HG) (resid 77 and name HN) 3.331 1.387 2.887 weight 1.000 ! spec=HCH_al, no=2550, id=4257, vol=1.610000e+06
assign (resid 3 and name HG11) (resid 3 and name HD12) 2.029 0.515 2.015 weight 1.000 ! spec=HCH_al, no=2551, id=4258, vol=3.150000e+07
    or (resid    3 and name HG11) (resid    3 and name HD11)
    or (resid    3 and name HG11) (resid    3 and name HD13)
assign (resid 3 and name HG12) (resid 3 and name HD12) 1.954 0.477 1.977 weight 1.000 ! spec=HCH_al, no=2552, id=4259, vol=3.950000e+07
    or (resid    3 and name HG12) (resid    3 and name HD11)
    or (resid    3 and name HG12) (resid    3 and name HD13)
assign (resid 19 and name HG12) (resid 19 and name HN) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=2556, id=4261, vol=9.560000e+06
assign (resid 5 and name HB2) (resid 6 and name HD1) 3.696 1.708 3.208 weight 1.000 ! spec=HCH_al, no=2558, id=4263, vol=8.620000e+05
    or (resid    5 and name  HB2) (resid    6 and name  HD2)
    or (resid    5 and name  HB1) (resid    6 and name  HD1)
    or (resid    5 and name  HB1) (resid    6 and name  HD2)
assign (resid 6 and name HB1) (resid 10 and name HG2) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_al, no=2564, id=4269, vol=1.620000e+06
    or (resid    6 and name  HB1) (resid   10 and name  HG1)
assign (resid 11 and name HN) (resid 6 and name HB1) 3.112 1.211 2.711 weight 1.000 ! spec=HCH_al, no=2565, id=4270, vol=2.420000e+06
assign (resid 8 and name HG2) (resid 12 and name HN) 3.680 1.693 3.193 weight 1.000 ! spec=HCH_al, no=2569, id=4273, vol=8.850000e+05
assign (resid 8 and name HG1) (resid 11 and name HD12) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_al, no=2570, id=4274, vol=2.870000e+06
    or (resid    8 and name  HG1) (resid   11 and name HD11)
    or (resid    8 and name  HG1) (resid   11 and name HD13)
assign (resid 25 and name HB2) (resid 28 and name HE2) 2.829 1.000 2.5 weight 1.000 ! spec=HCH_al, no=2573, id=4275, vol=4.290000e+06
    or (resid   25 and name  HB2) (resid   28 and name  HE1)
    or (resid   25 and name  HB1) (resid   28 and name  HE2)
    or (resid   25 and name  HB1) (resid   28 and name  HE1)
assign (resid 49 and name HG2) (resid 48 and name HG2) 3.401 1.446 2.946 weight 1.000 ! spec=HCH_al, no=2574, id=4276, vol=1.420000e+06
    or (resid   49 and name  HG2) (resid   48 and name  HG1)
assign (resid 49 and name HG1) (resid 48 and name HG2) 3.652 1.667 3.167 weight 1.000 ! spec=HCH_al, no=2575, id=4277, vol=9.260000e+05
    or (resid   49 and name  HG1) (resid   48 and name  HG1)
assign (resid 49 and name HG2) (resid 49 and name HA) 2.476 0.767 2.267 weight 1.000 ! spec=HCH_al, no=2576, id=4278, vol=9.530000e+06
assign (resid 14 and name HB2) (resid 11 and name HB1) 3.479 1.513 3.013 weight 1.000 ! spec=HCH_al, no=2585, id=4283, vol=1.240000e+06
    or (resid   14 and name  HB1) (resid   11 and name  HB1)
assign (resid 15 and name HB2) (resid 17 and name HG22) 1.924 0.463 1.963 weight 1.000 ! spec=HCH_al, no=2591, id=4285, vol=4.330000e+07
    or (resid   15 and name  HB2) (resid   17 and name HG21)
    or (resid   15 and name  HB2) (resid   17 and name HG23)
    or (resid   15 and name  HB2) (resid   17 and name HG12)
    or (resid   15 and name  HB2) (resid   17 and name HG11)
    or (resid   15 and name  HB2) (resid   17 and name HG13)
    or (resid   15 and name  HB1) (resid   17 and name HG22)
    or (resid   15 and name  HB1) (resid   17 and name HG21)
    or (resid   15 and name  HB1) (resid   17 and name HG23)
    or (resid   15 and name  HB1) (resid   17 and name HG12)
    or (resid   15 and name  HB1) (resid   17 and name HG11)
    or (resid   15 and name  HB1) (resid   17 and name HG13)
    or (resid   15 and name  HB3) (resid   17 and name HG22)
    or (resid   15 and name  HB3) (resid   17 and name HG21)
    or (resid   15 and name  HB3) (resid   17 and name HG23)
    or (resid   15 and name  HB3) (resid   17 and name HG12)
    or (resid   15 and name  HB3) (resid   17 and name HG11)
    or (resid   15 and name  HB3) (resid   17 and name HG13)
assign (resid 15 and name HB2) (resid 18 and name HB1) 2.449 0.749 2.249 weight 1.000 ! spec=HCH_al, no=2593, id=4287, vol=1.020000e+07
    or (resid   15 and name  HB1) (resid   18 and name  HB1)
    or (resid   15 and name  HB3) (resid   18 and name  HB1)
assign (resid 15 and name HB2) (resid 18 and name HG1) 2.149 0.577 2.077 weight 1.000 ! spec=HCH_al, no=2594, id=4288, vol=2.230000e+07
    or (resid   15 and name  HB1) (resid   18 and name  HG1)
    or (resid   15 and name  HB3) (resid   18 and name  HG1)
assign (resid 18 and name HG2) (resid 15 and name HB2) 2.198 0.604 2.104 weight 1.000 ! spec=HCH_al, no=2595, id=4289, vol=1.950000e+07
    or (resid   18 and name  HG2) (resid   15 and name  HB1)
    or (resid   18 and name  HG2) (resid   15 and name  HB3)
assign (resid 15 and name HB2) (resid 15 and name HA) 1.768 0.391 1.891 weight 1.000 ! spec=HCH_al, no=2596, id=4290, vol=7.190000e+07
    or (resid   15 and name  HB1) (resid   15 and name   HA)
    or (resid   15 and name  HB3) (resid   15 and name   HA)
assign (resid 19 and name HN) (resid 15 and name HB2) 2.807 0.985 2.485 weight 1.000 ! spec=HCH_al, no=2598, id=4292, vol=4.490000e+06
    or (resid   19 and name   HN) (resid   15 and name  HB1)
    or (resid   19 and name   HN) (resid   15 and name  HB3)
assign (resid 17 and name HN) (resid 15 and name HB2) 2.289 0.655 2.155 weight 1.000 ! spec=HCH_al, no=2599, id=4293, vol=1.530000e+07
    or (resid   17 and name   HN) (resid   15 and name  HB1)
    or (resid   17 and name   HN) (resid   15 and name  HB3)
assign (resid 16 and name HB1) (resid 58 and name HE1) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=2603, id=4297, vol=1.170000e+06
    or (resid   16 and name  HB1) (resid   58 and name  HE2)
assign (resid 16 and name HB1) (resid 17 and name HN) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=2604, id=4298, vol=2.980000e+06
assign (resid 16 and name HD12) (resid 16 and name HB2) 2.082 0.542 2.042 weight 1.000 ! spec=HCH_al, no=2605, id=4299, vol=2.700000e+07
    or (resid   16 and name HD11) (resid   16 and name  HB2)
    or (resid   16 and name HD13) (resid   16 and name  HB2)
assign (resid 16 and name HD12) (resid 55 and name HD12) 2.301 0.662 2.162 weight 1.000 ! spec=HCH_al, no=2606, id=4300, vol=1.480000e+07
    or (resid   16 and name HD12) (resid   55 and name HD11)
    or (resid   16 and name HD12) (resid   55 and name HD13)
    or (resid   16 and name HD11) (resid   55 and name HD12)
    or (resid   16 and name HD11) (resid   55 and name HD11)
    or (resid   16 and name HD11) (resid   55 and name HD13)
    or (resid   16 and name HD13) (resid   55 and name HD12)
    or (resid   16 and name HD13) (resid   55 and name HD11)
    or (resid   16 and name HD13) (resid   55 and name HD13)
assign (resid 54 and name HB2) (resid 16 and name HD12) 2.286 0.653 2.153 weight 1.000 ! spec=HCH_al, no=2607, id=4301, vol=1.540000e+07
    or (resid   54 and name  HB2) (resid   16 and name HD11)
    or (resid   54 and name  HB2) (resid   16 and name HD13)
assign (resid 58 and name HB1) (resid 16 and name HD12) 2.299 0.660 2.16 weight 1.000 ! spec=HCH_al, no=2610, id=4304, vol=1.490000e+07
    or (resid   58 and name  HB1) (resid   16 and name HD11)
    or (resid   58 and name  HB1) (resid   16 and name HD13)
assign (resid 16 and name HD12) (resid 58 and name HA) 2.924 1.068 2.568 weight 1.000 ! spec=HCH_al, no=2612, id=4306, vol=3.520000e+06
    or (resid   16 and name HD11) (resid   58 and name   HA)
    or (resid   16 and name HD13) (resid   58 and name   HA)
assign (resid 16 and name HD12) (resid 58 and name HD1) 2.358 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2613, id=4307, vol=1.280000e+07
    or (resid   16 and name HD12) (resid   58 and name  HD2)
    or (resid   16 and name HD11) (resid   58 and name  HD1)
    or (resid   16 and name HD11) (resid   58 and name  HD2)
    or (resid   16 and name HD13) (resid   58 and name  HD1)
    or (resid   16 and name HD13) (resid   58 and name  HD2)
assign (resid 55 and name HN) (resid 16 and name HD12) 3.071 1.179 2.679 weight 1.000 ! spec=HCH_al, no=2614, id=4308, vol=2.620000e+06
    or (resid   55 and name   HN) (resid   16 and name HD11)
    or (resid   55 and name   HN) (resid   16 and name HD13)
assign (resid 58 and name HN) (resid 16 and name HD12) 2.771 0.959 2.459 weight 1.000 ! spec=HCH_al, no=2615, id=4309, vol=4.860000e+06
    or (resid   58 and name   HN) (resid   16 and name HD11)
    or (resid   58 and name   HN) (resid   16 and name HD13)
assign (resid 16 and name HD12) (resid 17 and name HN) 2.915 1.062 2.562 weight 1.000 ! spec=HCH_al, no=2616, id=4310, vol=3.580000e+06
    or (resid   16 and name HD11) (resid   17 and name   HN)
    or (resid   16 and name HD13) (resid   17 and name   HN)
assign (resid 54 and name HN) (resid 16 and name HD12) 3.141 1.233 2.733 weight 1.000 ! spec=HCH_al, no=2617, id=4311, vol=2.290000e+06
    or (resid   54 and name   HN) (resid   16 and name HD11)
    or (resid   54 and name   HN) (resid   16 and name HD13)
assign (resid 59 and name HN) (resid 16 and name HD12) 3.174 1.259 2.759 weight 1.000 ! spec=HCH_al, no=2618, id=4312, vol=2.150000e+06
    or (resid   59 and name   HN) (resid   16 and name HD11)
    or (resid   59 and name   HN) (resid   16 and name HD13)
assign (resid 16 and name HD22) (resid 40 and name HD12) 1.913 0.457 1.957 weight 1.000 ! spec=HCH_al, no=2619, id=4313, vol=4.490000e+07
    or (resid   16 and name HD22) (resid   40 and name HD11)
    or (resid   16 and name HD22) (resid   40 and name HD13)
    or (resid   16 and name HD21) (resid   40 and name HD12)
    or (resid   16 and name HD21) (resid   40 and name HD11)
    or (resid   16 and name HD21) (resid   40 and name HD13)
    or (resid   16 and name HD23) (resid   40 and name HD12)
    or (resid   16 and name HD23) (resid   40 and name HD11)
    or (resid   16 and name HD23) (resid   40 and name HD13)
assign (resid 16 and name HD22) (resid 16 and name HG) 1.882 0.443 1.943 weight 1.000 ! spec=HCH_al, no=2621, id=4315, vol=4.940000e+07
    or (resid   16 and name HD21) (resid   16 and name   HG)
    or (resid   16 and name HD23) (resid   16 and name   HG)
assign (resid 16 and name HA) (resid 16 and name HD22) 1.877 0.441 1.941 weight 1.000 ! spec=HCH_al, no=2625, id=4318, vol=5.020000e+07
    or (resid   16 and name   HA) (resid   16 and name HD21)
    or (resid   16 and name   HA) (resid   16 and name HD23)
assign (resid 16 and name HD22) (resid 58 and name HE1) 2.911 1.059 2.559 weight 1.000 ! spec=HCH_al, no=2627, id=4319, vol=3.610000e+06
    or (resid   16 and name HD22) (resid   58 and name  HE2)
    or (resid   16 and name HD21) (resid   58 and name  HE1)
    or (resid   16 and name HD21) (resid   58 and name  HE2)
    or (resid   16 and name HD23) (resid   58 and name  HE1)
    or (resid   16 and name HD23) (resid   58 and name  HE2)
assign (resid 16 and name HD22) (resid 58 and name HD1) 2.658 0.883 2.383 weight 1.000 ! spec=HCH_al, no=2628, id=4320, vol=6.240000e+06
    or (resid   16 and name HD22) (resid   58 and name  HD2)
    or (resid   16 and name HD21) (resid   58 and name  HD1)
    or (resid   16 and name HD21) (resid   58 and name  HD2)
    or (resid   16 and name HD23) (resid   58 and name  HD1)
    or (resid   16 and name HD23) (resid   58 and name  HD2)
assign (resid 16 and name HD22) (resid 16 and name HN) 2.238 0.626 2.126 weight 1.000 ! spec=HCH_al, no=2631, id=4323, vol=1.750000e+07
    or (resid   16 and name HD21) (resid   16 and name   HN)
    or (resid   16 and name HD23) (resid   16 and name   HN)
assign (resid 20 and name HN) (resid 17 and name HA) 2.758 0.951 2.451 weight 1.000 ! spec=HCH_al, no=2633, id=4325, vol=4.990000e+06
assign (resid 18 and name HA) (resid 18 and name HG1) 2.721 0.925 2.425 weight 1.000 ! spec=HCH_al, no=2638, id=4330, vol=5.420000e+06
assign (resid 57 and name HB1) (resid 54 and name HA) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=2640, id=4332, vol=5.380000e+06
assign (resid 13 and name HG2) (resid 13 and name HB1) 1.957 0.479 1.979 weight 1.000 ! spec=HCH_al, no=2643, id=4335, vol=3.910000e+07
assign (resid 19 and name HG22) (resid 20 and name HA) 2.587 0.837 2.337 weight 1.000 ! spec=HCH_al, no=2647, id=4337, vol=7.330000e+06
    or (resid   19 and name HG21) (resid   20 and name   HA)
    or (resid   19 and name HG23) (resid   20 and name   HA)
assign (resid 22 and name HN) (resid 19 and name HG22) 3.035 1.152 2.652 weight 1.000 ! spec=HCH_al, no=2650, id=4340, vol=2.810000e+06
    or (resid   22 and name   HN) (resid   19 and name HG21)
    or (resid   22 and name   HN) (resid   19 and name HG23)
assign (resid 19 and name HG22) (resid 40 and name HN) 3.071 1.179 2.679 weight 1.000 ! spec=HCH_al, no=2651, id=4341, vol=2.620000e+06
    or (resid   19 and name HG21) (resid   40 and name   HN)
    or (resid   19 and name HG23) (resid   40 and name   HN)
assign (resid 19 and name HG22) (resid 23 and name HN) 2.607 0.850 2.35 weight 1.000 ! spec=HCH_al, no=2652, id=4342, vol=7.000000e+06
    or (resid   19 and name HG21) (resid   23 and name   HN)
    or (resid   19 and name HG23) (resid   23 and name   HN)
assign (resid 14 and name HG2) (resid 19 and name HG11) 3.571 1.594 3.094 weight 1.000 ! spec=HCH_al, no=2656, id=4346, vol=1.060000e+06
assign (resid 16 and name HA) (resid 19 and name HG11) 3.223 1.299 2.799 weight 1.000 ! spec=HCH_al, no=2657, id=4347, vol=1.960000e+06
assign (resid 19 and name HG12) (resid 16 and name HA) 2.898 1.050 2.55 weight 1.000 ! spec=HCH_al, no=2658, id=4348, vol=3.710000e+06
assign (resid 14 and name HN) (resid 19 and name HD12) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=2660, id=4350, vol=4.530000e+06
    or (resid   14 and name   HN) (resid   19 and name HD11)
    or (resid   14 and name   HN) (resid   19 and name HD13)
assign (resid 19 and name HD12) (resid 11 and name HN) 3.334 1.390 2.89 weight 1.000 ! spec=HCH_al, no=2662, id=4352, vol=1.600000e+06
    or (resid   19 and name HD11) (resid   11 and name   HN)
    or (resid   19 and name HD13) (resid   11 and name   HN)
assign (resid 56 and name HA) (resid 56 and name HB2) 1.795 0.403 1.903 weight 1.000 ! spec=HCH_al, no=2667, id=4357, vol=6.570000e+07
    or (resid   56 and name   HA) (resid   56 and name  HB1)
    or (resid   56 and name   HA) (resid   56 and name  HB3)
assign (resid 57 and name HN) (resid 56 and name HB2) 2.028 0.514 2.014 weight 1.000 ! spec=HCH_al, no=2668, id=4358, vol=3.160000e+07
    or (resid   57 and name   HN) (resid   56 and name  HB1)
    or (resid   57 and name   HN) (resid   56 and name  HB3)
assign (resid 33 and name HA) (resid 62 and name HD22) 3.132 1.226 2.726 weight 1.000 ! spec=HCH_al, no=2669, id=4359, vol=2.330000e+06
    or (resid   33 and name   HA) (resid   62 and name HD21)
    or (resid   33 and name   HA) (resid   62 and name HD23)
assign (resid 21 and name HB2) (resid 17 and name HG22) 3.484 1.517 3.017 weight 1.000 ! spec=HCH_al, no=2671, id=4361, vol=1.230000e+06
    or (resid   21 and name  HB2) (resid   17 and name HG21)
    or (resid   21 and name  HB2) (resid   17 and name HG23)
    or (resid   21 and name  HB2) (resid   17 and name HG12)
    or (resid   21 and name  HB2) (resid   17 and name HG11)
    or (resid   21 and name  HB2) (resid   17 and name HG13)
assign (resid 21 and name HB2) (resid 21 and name HA) 2.855 1.019 2.519 weight 1.000 ! spec=HCH_al, no=2674, id=4363, vol=4.060000e+06
assign (resid 21 and name HN) (resid 21 and name HB1) 2.476 0.767 2.267 weight 1.000 ! spec=HCH_al, no=2675, id=4364, vol=9.530000e+06
assign (resid 25 and name HN) (resid 25 and name HB2) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_al, no=2676, id=4365, vol=2.150000e+07
    or (resid   25 and name   HN) (resid   25 and name  HB1)
assign (resid 23 and name HD12) (resid 23 and name HA) 1.806 0.408 1.908 weight 1.000 ! spec=HCH_al, no=2693, id=4370, vol=6.340000e+07
    or (resid   23 and name HD11) (resid   23 and name   HA)
    or (resid   23 and name HD13) (resid   23 and name   HA)
assign (resid 87 and name HD22) (resid 87 and name HA) 1.949 0.475 1.975 weight 1.000 ! spec=HCH_al, no=2698, id=4372, vol=4.010000e+07
    or (resid   87 and name HD21) (resid   87 and name   HA)
    or (resid   87 and name HD23) (resid   87 and name   HA)
assign (resid 23 and name HD12) (resid 24 and name HN) 2.846 1.012 2.512 weight 1.000 ! spec=HCH_al, no=2703, id=4374, vol=4.140000e+06
    or (resid   23 and name HD11) (resid   24 and name   HN)
    or (resid   23 and name HD13) (resid   24 and name   HN)
assign (resid 23 and name HD22) (resid 23 and name HG) 1.923 0.462 1.962 weight 1.000 ! spec=HCH_al, no=2704, id=4375, vol=4.340000e+07
    or (resid   23 and name HD21) (resid   23 and name   HG)
    or (resid   23 and name HD23) (resid   23 and name   HG)
assign (resid 23 and name HD22) (resid 23 and name HB2) 2.234 0.624 2.124 weight 1.000 ! spec=HCH_al, no=2705, id=4376, vol=1.770000e+07
    or (resid   23 and name HD21) (resid   23 and name  HB2)
    or (resid   23 and name HD23) (resid   23 and name  HB2)
assign (resid 24 and name HB2) (resid 24 and name HA) 2.786 0.970 2.47 weight 1.000 ! spec=HCH_al, no=2709, id=4380, vol=4.700000e+06
assign (resid 84 and name HB2) (resid 82 and name HE1) 3.294 1.356 2.856 weight 1.000 ! spec=HCH_al, no=2710, id=4381, vol=1.720000e+06
    or (resid   84 and name  HB2) (resid   82 and name  HE2)
assign (resid 10 and name HG2) (resid 10 and name HN) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2713, id=4384, vol=1.170000e+07
    or (resid   10 and name  HG1) (resid   10 and name   HN)
assign (resid 89 and name HB1) (resid 88 and name HA) 3.533 1.560 3.06 weight 1.000 ! spec=HCH_al, no=2718, id=4387, vol=1.130000e+06
assign (resid 10 and name HB1) (resid 6 and name HD1) 2.767 0.957 2.457 weight 1.000 ! spec=HCH_al, no=2719, id=4388, vol=4.900000e+06
    or (resid   10 and name  HB1) (resid    6 and name  HD2)
assign (resid 27 and name HB2) (resid 27 and name HB1) 2.072 0.537 2.037 weight 1.000 ! spec=HCH_al, no=2721, id=4389, vol=2.780000e+07
assign (resid 27 and name HB2) (resid 27 and name HA) 2.782 0.968 2.468 weight 1.000 ! spec=HCH_al, no=2722, id=4390, vol=4.740000e+06
assign (resid 27 and name HB1) (resid 27 and name HD2) 3.118 1.216 2.716 weight 1.000 ! spec=HCH_al, no=2723, id=4391, vol=2.390000e+06
assign (resid 28 and name HN) (resid 28 and name HB1) 3.129 1.224 2.724 weight 1.000 ! spec=HCH_al, no=2727, id=4394, vol=2.340000e+06
assign (resid 28 and name HD2) (resid 28 and name HG2) 1.965 0.483 1.983 weight 1.000 ! spec=HCH_al, no=2731, id=4396, vol=3.820000e+07
    or (resid   28 and name  HD2) (resid   28 and name  HG1)
assign (resid 28 and name HD1) (resid 28 and name HE2) 2.386 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2732, id=4397, vol=1.190000e+07
    or (resid   28 and name  HD1) (resid   28 and name  HE1)
assign (resid 29 and name HB1) (resid 29 and name HE2) 3.528 1.556 3.056 weight 1.000 ! spec=HCH_al, no=2734, id=4398, vol=1.140000e+06
    or (resid   29 and name  HB1) (resid   29 and name  HE1)
assign (resid 29 and name HB1) (resid 30 and name HD2) 2.905 1.055 2.555 weight 1.000 ! spec=HCH_al, no=2735, id=4399, vol=3.660000e+06
assign (resid 47 and name HB2) (resid 49 and name HN) 2.843 1.011 2.511 weight 1.000 ! spec=HCH_al, no=2750, id=4408, vol=4.160000e+06
assign (resid 33 and name HN) (resid 32 and name HG2) 3.460 1.497 2.997 weight 1.000 ! spec=HCH_al, no=2753, id=4410, vol=1.280000e+06
assign (resid 32 and name HG2) (resid 32 and name HD2) 2.510 0.787 2.287 weight 1.000 ! spec=HCH_al, no=2754, id=4411, vol=8.800000e+06
assign (resid 32 and name HG1) (resid 32 and name HD1) 2.445 0.747 2.247 weight 1.000 ! spec=HCH_al, no=2755, id=4412, vol=1.030000e+07
assign (resid 30 and name HG2) (resid 29 and name HE2) 3.571 1.594 3.094 weight 1.000 ! spec=HCH_al, no=2756, id=4413, vol=1.060000e+06
    or (resid   30 and name  HG2) (resid   29 and name  HE1)
assign (resid 33 and name HB1) (resid 36 and name HD22) 3.606 1.625 3.125 weight 1.000 ! spec=HCH_al, no=2764, id=4415, vol=1.000000e+06
    or (resid   33 and name  HB1) (resid   36 and name HD21)
    or (resid   33 and name  HB1) (resid   36 and name HD23)
    or (resid   33 and name  HB1) (resid   36 and name HD12)
    or (resid   33 and name  HB1) (resid   36 and name HD11)
    or (resid   33 and name  HB1) (resid   36 and name HD13)
assign (resid 34 and name HG2) (resid 33 and name HB1) 3.635 1.652 3.152 weight 1.000 ! spec=HCH_al, no=2766, id=4416, vol=9.530000e+05
assign (resid 83 and name HG1) (resid 83 and name HD2) 2.189 0.599 2.099 weight 1.000 ! spec=HCH_al, no=2780, id=4417, vol=2.000000e+07
    or (resid   83 and name  HG1) (resid   83 and name  HD1)
assign (resid 37 and name HG) (resid 37 and name HA) 2.989 1.117 2.617 weight 1.000 ! spec=HCH_al, no=2781, id=4418, vol=3.080000e+06
assign (resid 38 and name HB1) (resid 48 and name HD2) 3.594 1.615 3.115 weight 1.000 ! spec=HCH_al, no=2790, id=4419, vol=1.020000e+06
    or (resid   38 and name  HB1) (resid   48 and name  HD1)
assign (resid 38 and name HB1) (resid 35 and name HB2) 3.310 1.370 2.87 weight 1.000 ! spec=HCH_al, no=2791, id=4420, vol=1.670000e+06
    or (resid   38 and name  HB1) (resid   35 and name  HB1)
assign (resid 38 and name HB1) (resid 38 and name HB2) 1.805 0.407 1.907 weight 1.000 ! spec=HCH_al, no=2792, id=4421, vol=6.350000e+07
assign (resid 38 and name HB1) (resid 35 and name HA) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=2798, id=4426, vol=9.570000e+06
assign (resid 59 and name HB2) (resid 33 and name HZ) 2.999 1.124 2.624 weight 1.000 ! spec=HCH_al, no=2803, id=4429, vol=3.020000e+06
assign (resid 38 and name HN) (resid 38 and name HB2) 2.367 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2806, id=4432, vol=1.250000e+07
assign (resid 38 and name HN) (resid 38 and name HB1) 2.340 0.684 2.184 weight 1.000 ! spec=HCH_al, no=2807, id=4433, vol=1.340000e+07
assign (resid 39 and name HG2) (resid 43 and name HG) 3.331 1.387 2.887 weight 1.000 ! spec=HCH_al, no=2809, id=4434, vol=1.610000e+06
assign (resid 40 and name HG22) (resid 40 and name HA) 2.083 0.542 2.042 weight 1.000 ! spec=HCH_al, no=2814, id=4438, vol=2.690000e+07
    or (resid   40 and name HG21) (resid   40 and name   HA)
    or (resid   40 and name HG23) (resid   40 and name   HA)
assign (resid 46 and name HB) (resid 46 and name HG22) 1.835 0.421 1.921 weight 1.000 ! spec=HCH_al, no=2815, id=4439, vol=5.760000e+07
    or (resid   46 and name   HB) (resid   46 and name HG21)
    or (resid   46 and name   HB) (resid   46 and name HG23)
assign (resid 46 and name HG22) (resid 41 and name HA) 1.994 0.497 1.997 weight 1.000 ! spec=HCH_al, no=2816, id=4440, vol=3.500000e+07
    or (resid   46 and name HG21) (resid   41 and name   HA)
    or (resid   46 and name HG23) (resid   41 and name   HA)
assign (resid 46 and name HG22) (resid 47 and name HA) 2.967 1.101 2.601 weight 1.000 ! spec=HCH_al, no=2819, id=4443, vol=3.220000e+06
    or (resid   46 and name HG21) (resid   47 and name   HA)
    or (resid   46 and name HG23) (resid   47 and name   HA)
assign (resid 46 and name HN) (resid 46 and name HG22) 1.933 0.467 1.967 weight 1.000 ! spec=HCH_al, no=2821, id=4445, vol=4.210000e+07
    or (resid   46 and name   HN) (resid   46 and name HG21)
    or (resid   46 and name   HN) (resid   46 and name HG23)
assign (resid 46 and name HG22) (resid 41 and name HB2) 1.911 0.457 1.957 weight 1.000 ! spec=HCH_al, no=2823, id=4447, vol=4.510000e+07
    or (resid   46 and name HG22) (resid   41 and name  HB1)
    or (resid   46 and name HG22) (resid   41 and name  HB3)
    or (resid   46 and name HG21) (resid   41 and name  HB2)
    or (resid   46 and name HG21) (resid   41 and name  HB1)
    or (resid   46 and name HG21) (resid   41 and name  HB3)
    or (resid   46 and name HG23) (resid   41 and name  HB2)
    or (resid   46 and name HG23) (resid   41 and name  HB1)
    or (resid   46 and name HG23) (resid   41 and name  HB3)
assign (resid 39 and name HN) (resid 41 and name HB2) 3.023 1.142 2.642 weight 1.000 ! spec=HCH_al, no=2829, id=4452, vol=2.880000e+06
    or (resid   39 and name   HN) (resid   41 and name  HB1)
    or (resid   39 and name   HN) (resid   41 and name  HB3)
assign (resid 47 and name HN) (resid 47 and name HG1) 2.506 0.785 2.285 weight 1.000 ! spec=HCH_al, no=2860, id=4453, vol=8.880000e+06
assign (resid 47 and name HG2) (resid 49 and name HN) 3.889 1.891 3.391 weight 1.000 ! spec=HCH_al, no=2861, id=4454, vol=6.350000e+05
assign (resid 47 and name HD2) (resid 46 and name HA) 3.488 1.521 3.021 weight 1.000 ! spec=HCH_al, no=2862, id=4455, vol=1.220000e+06
    or (resid   47 and name  HD1) (resid   46 and name   HA)
assign (resid 48 and name HB2) (resid 48 and name HE2) 2.716 0.922 2.422 weight 1.000 ! spec=HCH_al, no=2866, id=4456, vol=5.480000e+06
    or (resid   48 and name  HB2) (resid   48 and name  HE1)
assign (resid 48 and name HD2) (resid 37 and name HD22) 2.141 0.573 2.073 weight 1.000 ! spec=HCH_al, no=2867, id=4457, vol=2.280000e+07
    or (resid   48 and name  HD2) (resid   37 and name HD21)
    or (resid   48 and name  HD2) (resid   37 and name HD23)
    or (resid   48 and name  HD2) (resid   37 and name HD12)
    or (resid   48 and name  HD2) (resid   37 and name HD11)
    or (resid   48 and name  HD2) (resid   37 and name HD13)
    or (resid   48 and name  HD1) (resid   37 and name HD22)
    or (resid   48 and name  HD1) (resid   37 and name HD21)
    or (resid   48 and name  HD1) (resid   37 and name HD23)
    or (resid   48 and name  HD1) (resid   37 and name HD12)
    or (resid   48 and name  HD1) (resid   37 and name HD11)
    or (resid   48 and name  HD1) (resid   37 and name HD13)
assign (resid 48 and name HD2) (resid 48 and name HA) 2.899 1.051 2.551 weight 1.000 ! spec=HCH_al, no=2869, id=4459, vol=3.700000e+06
    or (resid   48 and name  HD1) (resid   48 and name   HA)
assign (resid 29 and name HD2) (resid 78 and name HN) 3.004 1.128 2.628 weight 1.000 ! spec=HCH_al, no=2870, id=4460, vol=2.990000e+06
    or (resid   29 and name  HD1) (resid   78 and name   HN)
assign (resid 48 and name HD2) (resid 38 and name HA) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=2871, id=4461, vol=4.280000e+06
    or (resid   48 and name  HD1) (resid   38 and name   HA)
assign (resid 48 and name HD2) (resid 47 and name HA) 2.985 1.113 2.613 weight 1.000 ! spec=HCH_al, no=2872, id=4462, vol=3.110000e+06
    or (resid   48 and name  HD1) (resid   47 and name   HA)
assign (resid 39 and name HG1) (resid 23 and name HD12) 2.759 0.952 2.452 weight 1.000 ! spec=HCH_al, no=2878, id=4466, vol=4.980000e+06
    or (resid   39 and name  HG1) (resid   23 and name HD11)
    or (resid   39 and name  HG1) (resid   23 and name HD13)
assign (resid 54 and name HB1) (resid 54 and name HA) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=2888, id=4468, vol=5.660000e+06
assign (resid 54 and name HG2) (resid 16 and name HD12) 3.218 1.294 2.794 weight 1.000 ! spec=HCH_al, no=2889, id=4469, vol=1.980000e+06
    or (resid   54 and name  HG2) (resid   16 and name HD11)
    or (resid   54 and name  HG2) (resid   16 and name HD13)
assign (resid 54 and name HG2) (resid 51 and name HD22) 3.294 1.356 2.856 weight 1.000 ! spec=HCH_al, no=2890, id=4470, vol=1.720000e+06
    or (resid   54 and name  HG2) (resid   51 and name HD21)
    or (resid   54 and name  HG2) (resid   51 and name HD23)
    or (resid   54 and name  HG2) (resid   51 and name HD12)
    or (resid   54 and name  HG2) (resid   51 and name HD11)
    or (resid   54 and name  HG2) (resid   51 and name HD13)
assign (resid 83 and name HG1) (resid 83 and name HB2) 2.161 0.584 2.084 weight 1.000 ! spec=HCH_al, no=2891, id=4471, vol=2.160000e+07
assign (resid 54 and name HG2) (resid 54 and name HA) 2.721 0.926 2.426 weight 1.000 ! spec=HCH_al, no=2892, id=4472, vol=5.410000e+06
assign (resid 54 and name HG2) (resid 55 and name HN) 3.382 1.429 2.929 weight 1.000 ! spec=HCH_al, no=2893, id=4473, vol=1.470000e+06
assign (resid 11 and name HG) (resid 12 and name HN) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_al, no=2895, id=4475, vol=1.620000e+06
assign (resid 54 and name HN) (resid 55 and name HB) 3.389 1.436 2.936 weight 1.000 ! spec=HCH_al, no=2900, id=4477, vol=1.450000e+06
assign (resid 55 and name HG22) (resid 37 and name HD22) 1.858 0.432 1.932 weight 1.000 ! spec=HCH_al, no=2901, id=4478, vol=5.340000e+07
    or (resid   55 and name HG22) (resid   37 and name HD21)
    or (resid   55 and name HG22) (resid   37 and name HD23)
    or (resid   55 and name HG22) (resid   37 and name HD12)
    or (resid   55 and name HG22) (resid   37 and name HD11)
    or (resid   55 and name HG22) (resid   37 and name HD13)
    or (resid   55 and name HG21) (resid   37 and name HD22)
    or (resid   55 and name HG21) (resid   37 and name HD21)
    or (resid   55 and name HG21) (resid   37 and name HD23)
    or (resid   55 and name HG21) (resid   37 and name HD12)
    or (resid   55 and name HG21) (resid   37 and name HD11)
    or (resid   55 and name HG21) (resid   37 and name HD13)
    or (resid   55 and name HG23) (resid   37 and name HD22)
    or (resid   55 and name HG23) (resid   37 and name HD21)
    or (resid   55 and name HG23) (resid   37 and name HD23)
    or (resid   55 and name HG23) (resid   37 and name HD12)
    or (resid   55 and name HG23) (resid   37 and name HD11)
    or (resid   55 and name HG23) (resid   37 and name HD13)
assign (resid 55 and name HG22) (resid 55 and name HG12) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=2903, id=4480, vol=1.690000e+07
    or (resid   55 and name HG21) (resid   55 and name HG12)
    or (resid   55 and name HG23) (resid   55 and name HG12)
assign (resid 55 and name HB) (resid 55 and name HG22) 1.893 0.448 1.948 weight 1.000 ! spec=HCH_al, no=2904, id=4481, vol=4.770000e+07
    or (resid   55 and name   HB) (resid   55 and name HG21)
    or (resid   55 and name   HB) (resid   55 and name HG23)
assign (resid 55 and name HG22) (resid 59 and name HB2) 2.929 1.072 2.572 weight 1.000 ! spec=HCH_al, no=2905, id=4482, vol=3.480000e+06
    or (resid   55 and name HG21) (resid   59 and name  HB2)
    or (resid   55 and name HG23) (resid   59 and name  HB2)
assign (resid 55 and name HA) (resid 55 and name HG22) 2.079 0.540 2.04 weight 1.000 ! spec=HCH_al, no=2907, id=4484, vol=2.720000e+07
    or (resid   55 and name   HA) (resid   55 and name HG21)
    or (resid   55 and name   HA) (resid   55 and name HG23)
assign (resid 55 and name HG22) (resid 59 and name HD1) 2.792 0.974 2.474 weight 1.000 ! spec=HCH_al, no=2908, id=4485, vol=4.640000e+06
    or (resid   55 and name HG22) (resid   59 and name  HD2)
    or (resid   55 and name HG21) (resid   59 and name  HD1)
    or (resid   55 and name HG21) (resid   59 and name  HD2)
    or (resid   55 and name HG23) (resid   59 and name  HD1)
    or (resid   55 and name HG23) (resid   59 and name  HD2)
assign (resid 55 and name HG22) (resid 33 and name HE1) 2.364 0.698 2.198 weight 1.000 ! spec=HCH_al, no=2910, id=4487, vol=1.260000e+07
    or (resid   55 and name HG22) (resid   33 and name  HE2)
    or (resid   55 and name HG21) (resid   33 and name  HE1)
    or (resid   55 and name HG21) (resid   33 and name  HE2)
    or (resid   55 and name HG23) (resid   33 and name  HE1)
    or (resid   55 and name HG23) (resid   33 and name  HE2)
assign (resid 55 and name HG22) (resid 33 and name HZ) 2.189 0.599 2.099 weight 1.000 ! spec=HCH_al, no=2911, id=4488, vol=2.000000e+07
    or (resid   55 and name HG21) (resid   33 and name   HZ)
    or (resid   55 and name HG23) (resid   33 and name   HZ)
assign (resid 56 and name HN) (resid 55 and name HG22) 2.358 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2913, id=4490, vol=1.280000e+07
    or (resid   56 and name   HN) (resid   55 and name HG21)
    or (resid   56 and name   HN) (resid   55 and name HG23)
assign (resid 59 and name HN) (resid 55 and name HG22) 2.809 0.987 2.487 weight 1.000 ! spec=HCH_al, no=2914, id=4491, vol=4.470000e+06
    or (resid   59 and name   HN) (resid   55 and name HG21)
    or (resid   59 and name   HN) (resid   55 and name HG23)
assign (resid 55 and name HG11) (resid 51 and name HB1) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=2918, id=4493, vol=2.850000e+06
assign (resid 55 and name HG11) (resid 55 and name HA) 2.603 0.847 2.347 weight 1.000 ! spec=HCH_al, no=2919, id=4494, vol=7.060000e+06
assign (resid 55 and name HA) (resid 55 and name HD12) 2.265 0.641 2.141 weight 1.000 ! spec=HCH_al, no=2921, id=4496, vol=1.630000e+07
    or (resid   55 and name   HA) (resid   55 and name HD11)
    or (resid   55 and name   HA) (resid   55 and name HD13)
assign (resid 55 and name HD12) (resid 33 and name HE1) 3.141 1.233 2.733 weight 1.000 ! spec=HCH_al, no=2923, id=4498, vol=2.290000e+06
    or (resid   55 and name HD12) (resid   33 and name  HE2)
    or (resid   55 and name HD11) (resid   33 and name  HE1)
    or (resid   55 and name HD11) (resid   33 and name  HE2)
    or (resid   55 and name HD13) (resid   33 and name  HE1)
    or (resid   55 and name HD13) (resid   33 and name  HE2)
assign (resid 55 and name HD12) (resid 33 and name HZ) 2.813 0.989 2.489 weight 1.000 ! spec=HCH_al, no=2924, id=4499, vol=4.440000e+06
    or (resid   55 and name HD11) (resid   33 and name   HZ)
    or (resid   55 and name HD13) (resid   33 and name   HZ)
assign (resid 54 and name HN) (resid 55 and name HD12) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=2926, id=4501, vol=3.380000e+06
    or (resid   54 and name   HN) (resid   55 and name HD11)
    or (resid   54 and name   HN) (resid   55 and name HD13)
assign (resid 59 and name HB1) (resid 56 and name HA) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_al, no=2928, id=4503, vol=6.270000e+06
assign (resid 56 and name HN) (resid 56 and name HB2) 1.796 0.403 1.903 weight 1.000 ! spec=HCH_al, no=2934, id=4509, vol=6.540000e+07
    or (resid   56 and name   HN) (resid   56 and name  HB1)
    or (resid   56 and name   HN) (resid   56 and name  HB3)
assign (resid 57 and name HB2) (resid 57 and name HG2) 1.908 0.455 1.955 weight 1.000 ! spec=HCH_al, no=2937, id=4511, vol=4.550000e+07
assign (resid 57 and name HG2) (resid 54 and name HA) 3.218 1.294 2.794 weight 1.000 ! spec=HCH_al, no=2938, id=4512, vol=1.980000e+06
assign (resid 59 and name HA) (resid 33 and name HD1) 3.197 1.277 2.777 weight 1.000 ! spec=HCH_al, no=2942, id=4515, vol=2.060000e+06
    or (resid   59 and name   HA) (resid   33 and name  HD2)
assign (resid 59 and name HB2) (resid 62 and name HD22) 3.855 1.857 3.357 weight 1.000 ! spec=HCH_al, no=2943, id=4516, vol=6.700000e+05
    or (resid   59 and name  HB2) (resid   62 and name HD21)
    or (resid   59 and name  HB2) (resid   62 and name HD23)
assign (resid 60 and name HG21) (resid 64 and name HD12) 1.956 0.478 1.978 weight 1.000 ! spec=HCH_al, no=2947, id=4519, vol=3.920000e+07
    or (resid   60 and name HG21) (resid   64 and name HD11)
    or (resid   60 and name HG21) (resid   64 and name HD13)
    or (resid   60 and name HG22) (resid   64 and name HD12)
    or (resid   60 and name HG22) (resid   64 and name HD11)
    or (resid   60 and name HG22) (resid   64 and name HD13)
    or (resid   60 and name HG23) (resid   64 and name HD12)
    or (resid   60 and name HG23) (resid   64 and name HD11)
    or (resid   60 and name HG23) (resid   64 and name HD13)
assign (resid 64 and name HG22) (resid 60 and name HG21) 2.137 0.571 2.071 weight 1.000 ! spec=HCH_al, no=2948, id=4520, vol=2.310000e+07
    or (resid   64 and name HG22) (resid   60 and name HG22)
    or (resid   64 and name HG22) (resid   60 and name HG23)
    or (resid   64 and name HG21) (resid   60 and name HG21)
    or (resid   64 and name HG21) (resid   60 and name HG22)
    or (resid   64 and name HG21) (resid   60 and name HG23)
    or (resid   64 and name HG23) (resid   60 and name HG21)
    or (resid   64 and name HG23) (resid   60 and name HG22)
    or (resid   64 and name HG23) (resid   60 and name HG23)
assign (resid 60 and name HG21) (resid 57 and name HA) 2.514 0.790 2.29 weight 1.000 ! spec=HCH_al, no=2951, id=4523, vol=8.700000e+06
    or (resid   60 and name HG22) (resid   57 and name   HA)
    or (resid   60 and name HG23) (resid   57 and name   HA)
assign (resid 60 and name HG21) (resid 60 and name HB) 1.876 0.440 1.94 weight 1.000 ! spec=HCH_al, no=2952, id=4524, vol=5.050000e+07
    or (resid   60 and name HG22) (resid   60 and name   HB)
    or (resid   60 and name HG23) (resid   60 and name   HB)
assign (resid 91 and name HG21) (resid 91 and name HB) 1.718 0.369 1.869 weight 1.000 ! spec=HCH_al, no=2953, id=4525, vol=8.560000e+07
    or (resid   91 and name HG22) (resid   91 and name   HB)
    or (resid   91 and name HG23) (resid   91 and name   HB)
assign (resid 57 and name HE22) (resid 60 and name HG21) 2.407 0.724 2.224 weight 1.000 ! spec=HCH_al, no=2955, id=4527, vol=1.130000e+07
    or (resid   57 and name HE22) (resid   60 and name HG22)
    or (resid   57 and name HE22) (resid   60 and name HG23)
assign (resid 63 and name HN) (resid 60 and name HG21) 3.249 1.319 2.819 weight 1.000 ! spec=HCH_al, no=2957, id=4529, vol=1.870000e+06
    or (resid   63 and name   HN) (resid   60 and name HG22)
    or (resid   63 and name   HN) (resid   60 and name HG23)
assign (resid 60 and name HN) (resid 60 and name HG21) 2.449 0.749 2.249 weight 1.000 ! spec=HCH_al, no=2960, id=4532, vol=1.020000e+07
    or (resid   60 and name   HN) (resid   60 and name HG22)
    or (resid   60 and name   HN) (resid   60 and name HG23)
assign (resid 57 and name HE21) (resid 60 and name HG21) 2.509 0.787 2.287 weight 1.000 ! spec=HCH_al, no=2961, id=4533, vol=8.810000e+06
    or (resid   57 and name HE21) (resid   60 and name HG22)
    or (resid   57 and name HE21) (resid   60 and name HG23)
assign (resid 91 and name HN) (resid 91 and name HG21) 2.355 0.693 2.193 weight 1.000 ! spec=HCH_al, no=2962, id=4534, vol=1.290000e+07
    or (resid   91 and name   HN) (resid   91 and name HG22)
    or (resid   91 and name   HN) (resid   91 and name HG23)
assign (resid 61 and name HN) (resid 60 and name HG21) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_al, no=2963, id=4535, vol=1.240000e+07
    or (resid   61 and name   HN) (resid   60 and name HG22)
    or (resid   61 and name   HN) (resid   60 and name HG23)
assign (resid 62 and name HD12) (resid 62 and name HG) 2.018 0.509 2.009 weight 1.000 ! spec=HCH_al, no=2968, id=4537, vol=3.250000e+07
    or (resid   62 and name HD11) (resid   62 and name   HG)
    or (resid   62 and name HD13) (resid   62 and name   HG)
assign (resid 62 and name HD12) (resid 17 and name HG22) 2.146 0.576 2.076 weight 1.000 ! spec=HCH_al, no=2971, id=4539, vol=2.250000e+07
    or (resid   62 and name HD12) (resid   17 and name HG21)
    or (resid   62 and name HD12) (resid   17 and name HG23)
    or (resid   62 and name HD12) (resid   17 and name HG12)
    or (resid   62 and name HD12) (resid   17 and name HG11)
    or (resid   62 and name HD12) (resid   17 and name HG13)
    or (resid   62 and name HD11) (resid   17 and name HG22)
    or (resid   62 and name HD11) (resid   17 and name HG21)
    or (resid   62 and name HD11) (resid   17 and name HG23)
    or (resid   62 and name HD11) (resid   17 and name HG12)
    or (resid   62 and name HD11) (resid   17 and name HG11)
    or (resid   62 and name HD11) (resid   17 and name HG13)
    or (resid   62 and name HD13) (resid   17 and name HG22)
    or (resid   62 and name HD13) (resid   17 and name HG21)
    or (resid   62 and name HD13) (resid   17 and name HG23)
    or (resid   62 and name HD13) (resid   17 and name HG12)
    or (resid   62 and name HD13) (resid   17 and name HG11)
    or (resid   62 and name HD13) (resid   17 and name HG13)
assign (resid 62 and name HA) (resid 62 and name HD12) 2.020 0.510 2.01 weight 1.000 ! spec=HCH_al, no=2973, id=4541, vol=3.240000e+07
    or (resid   62 and name   HA) (resid   62 and name HD11)
    or (resid   62 and name   HA) (resid   62 and name HD13)
assign (resid 68 and name HB2) (resid 62 and name HD12) 2.742 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2974, id=4542, vol=5.170000e+06
    or (resid   68 and name  HB2) (resid   62 and name HD11)
    or (resid   68 and name  HB2) (resid   62 and name HD13)
assign (resid 17 and name HA) (resid 62 and name HD12) 2.740 0.939 2.439 weight 1.000 ! spec=HCH_al, no=2975, id=4543, vol=5.190000e+06
    or (resid   17 and name   HA) (resid   62 and name HD11)
    or (resid   17 and name   HA) (resid   62 and name HD13)
assign (resid 62 and name HD12) (resid 58 and name HE1) 2.238 0.626 2.126 weight 1.000 ! spec=HCH_al, no=2976, id=4544, vol=1.750000e+07
    or (resid   62 and name HD12) (resid   58 and name  HE2)
    or (resid   62 and name HD11) (resid   58 and name  HE1)
    or (resid   62 and name HD11) (resid   58 and name  HE2)
    or (resid   62 and name HD13) (resid   58 and name  HE1)
    or (resid   62 and name HD13) (resid   58 and name  HE2)
assign (resid 62 and name HD12) (resid 58 and name HD1) 2.464 0.759 2.259 weight 1.000 ! spec=HCH_al, no=2979, id=4547, vol=9.820000e+06
    or (resid   62 and name HD12) (resid   58 and name  HD2)
    or (resid   62 and name HD11) (resid   58 and name  HD1)
    or (resid   62 and name HD11) (resid   58 and name  HD2)
    or (resid   62 and name HD13) (resid   58 and name  HD1)
    or (resid   62 and name HD13) (resid   58 and name  HD2)
assign (resid 62 and name HD12) (resid 68 and name HD1) 2.462 0.757 2.257 weight 1.000 ! spec=HCH_al, no=2980, id=4548, vol=9.880000e+06
    or (resid   62 and name HD12) (resid   68 and name  HD2)
    or (resid   62 and name HD11) (resid   68 and name  HD1)
    or (resid   62 and name HD11) (resid   68 and name  HD2)
    or (resid   62 and name HD13) (resid   68 and name  HD1)
    or (resid   62 and name HD13) (resid   68 and name  HD2)
assign (resid 62 and name HD12) (resid 68 and name HZ) 2.689 0.904 2.404 weight 1.000 ! spec=HCH_al, no=2982, id=4549, vol=5.810000e+06
    or (resid   62 and name HD11) (resid   68 and name   HZ)
    or (resid   62 and name HD13) (resid   68 and name   HZ)
assign (resid 62 and name HD12) (resid 62 and name HN) 2.530 0.800 2.3 weight 1.000 ! spec=HCH_al, no=2983, id=4550, vol=8.390000e+06
    or (resid   62 and name HD11) (resid   62 and name   HN)
    or (resid   62 and name HD13) (resid   62 and name   HN)
assign (resid 62 and name HD22) (resid 62 and name HG) 2.164 0.585 2.085 weight 1.000 ! spec=HCH_al, no=2985, id=4551, vol=2.140000e+07
    or (resid   62 and name HD21) (resid   62 and name   HG)
    or (resid   62 and name HD23) (resid   62 and name   HG)
assign (resid 59 and name HA) (resid 62 and name HD22) 2.294 0.658 2.158 weight 1.000 ! spec=HCH_al, no=2990, id=4556, vol=1.510000e+07
    or (resid   59 and name   HA) (resid   62 and name HD21)
    or (resid   59 and name   HA) (resid   62 and name HD23)
assign (resid 62 and name HD22) (resid 17 and name HA) 3.288 1.351 2.851 weight 1.000 ! spec=HCH_al, no=2991, id=4557, vol=1.740000e+06
    or (resid   62 and name HD21) (resid   17 and name   HA)
    or (resid   62 and name HD23) (resid   17 and name   HA)
assign (resid 62 and name HD22) (resid 59 and name HD1) 2.966 1.099 2.599 weight 1.000 ! spec=HCH_al, no=2992, id=4558, vol=3.230000e+06
    or (resid   62 and name HD22) (resid   59 and name  HD2)
    or (resid   62 and name HD21) (resid   59 and name  HD1)
    or (resid   62 and name HD21) (resid   59 and name  HD2)
    or (resid   62 and name HD23) (resid   59 and name  HD1)
    or (resid   62 and name HD23) (resid   59 and name  HD2)
assign (resid 62 and name HD22) (resid 58 and name HE1) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=2993, id=4559, vol=1.150000e+07
    or (resid   62 and name HD22) (resid   58 and name  HE2)
    or (resid   62 and name HD21) (resid   58 and name  HE1)
    or (resid   62 and name HD21) (resid   58 and name  HE2)
    or (resid   62 and name HD23) (resid   58 and name  HE1)
    or (resid   62 and name HD23) (resid   58 and name  HE2)
assign (resid 62 and name HD22) (resid 33 and name HE1) 2.249 0.632 2.132 weight 1.000 ! spec=HCH_al, no=2994, id=4560, vol=1.700000e+07
    or (resid   62 and name HD22) (resid   33 and name  HE2)
    or (resid   62 and name HD21) (resid   33 and name  HE1)
    or (resid   62 and name HD21) (resid   33 and name  HE2)
    or (resid   62 and name HD23) (resid   33 and name  HE1)
    or (resid   62 and name HD23) (resid   33 and name  HE2)
assign (resid 62 and name HD22) (resid 33 and name HD1) 2.337 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2995, id=4561, vol=1.350000e+07
    or (resid   62 and name HD22) (resid   33 and name  HD2)
    or (resid   62 and name HD21) (resid   33 and name  HD1)
    or (resid   62 and name HD21) (resid   33 and name  HD2)
    or (resid   62 and name HD23) (resid   33 and name  HD1)
    or (resid   62 and name HD23) (resid   33 and name  HD2)
assign (resid 62 and name HD22) (resid 76 and name HZ2) 2.764 0.955 2.455 weight 1.000 ! spec=HCH_al, no=2996, id=4562, vol=4.930000e+06
    or (resid   62 and name HD21) (resid   76 and name  HZ2)
    or (resid   62 and name HD23) (resid   76 and name  HZ2)
assign (resid 62 and name HD22) (resid 58 and name HD1) 2.623 0.860 2.36 weight 1.000 ! spec=HCH_al, no=2997, id=4563, vol=6.750000e+06
    or (resid   62 and name HD22) (resid   58 and name  HD2)
    or (resid   62 and name HD21) (resid   58 and name  HD1)
    or (resid   62 and name HD21) (resid   58 and name  HD2)
    or (resid   62 and name HD23) (resid   58 and name  HD1)
    or (resid   62 and name HD23) (resid   58 and name  HD2)
assign (resid 62 and name HD22) (resid 68 and name HD1) 2.799 0.979 2.479 weight 1.000 ! spec=HCH_al, no=2998, id=4564, vol=4.570000e+06
    or (resid   62 and name HD22) (resid   68 and name  HD2)
    or (resid   62 and name HD21) (resid   68 and name  HD1)
    or (resid   62 and name HD21) (resid   68 and name  HD2)
    or (resid   62 and name HD23) (resid   68 and name  HD1)
    or (resid   62 and name HD23) (resid   68 and name  HD2)
assign (resid 62 and name HD22) (resid 76 and name HE3) 2.999 1.124 2.624 weight 1.000 ! spec=HCH_al, no=2999, id=4565, vol=3.020000e+06
    or (resid   62 and name HD21) (resid   76 and name  HE3)
    or (resid   62 and name HD23) (resid   76 and name  HE3)
assign (resid 62 and name HD22) (resid 62 and name HN) 2.627 0.863 2.363 weight 1.000 ! spec=HCH_al, no=3001, id=4567, vol=6.690000e+06
    or (resid   62 and name HD21) (resid   62 and name   HN)
    or (resid   62 and name HD23) (resid   62 and name   HN)
assign (resid 64 and name HB) (resid 64 and name HG22) 1.828 0.418 1.918 weight 1.000 ! spec=HCH_al, no=3004, id=4568, vol=5.890000e+07
    or (resid   64 and name   HB) (resid   64 and name HG21)
    or (resid   64 and name   HB) (resid   64 and name HG23)
assign (resid 64 and name HG22) (resid 63 and name HB1) 2.589 0.838 2.338 weight 1.000 ! spec=HCH_al, no=3005, id=4569, vol=7.300000e+06
    or (resid   64 and name HG21) (resid   63 and name  HB1)
    or (resid   64 and name HG23) (resid   63 and name  HB1)
assign (resid 64 and name HG22) (resid 64 and name HA) 1.911 0.457 1.957 weight 1.000 ! spec=HCH_al, no=3007, id=4570, vol=4.510000e+07
    or (resid   64 and name HG21) (resid   64 and name   HA)
    or (resid   64 and name HG23) (resid   64 and name   HA)
assign (resid 64 and name HN) (resid 64 and name HG22) 2.225 0.619 2.119 weight 1.000 ! spec=HCH_al, no=3008, id=4571, vol=1.810000e+07
    or (resid   64 and name   HN) (resid   64 and name HG21)
    or (resid   64 and name   HN) (resid   64 and name HG23)
assign (resid 65 and name HN) (resid 64 and name HG12) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=3013, id=4574, vol=2.850000e+06
    or (resid   65 and name   HN) (resid   64 and name HG11)
assign (resid 64 and name HD12) (resid 61 and name HB2) 3.164 1.252 2.752 weight 1.000 ! spec=HCH_al, no=3014, id=4575, vol=2.190000e+06
    or (resid   64 and name HD11) (resid   61 and name  HB2)
    or (resid   64 and name HD13) (resid   61 and name  HB2)
assign (resid 67 and name HG1) (resid 67 and name HA) 2.776 0.963 2.463 weight 1.000 ! spec=HCH_al, no=3018, id=4577, vol=4.800000e+06
assign (resid 68 and name HB2) (resid 76 and name HE3) 2.840 1.008 2.508 weight 1.000 ! spec=HCH_al, no=3022, id=4578, vol=4.190000e+06
assign (resid 69 and name HD22) (resid 69 and name HB2) 2.194 0.602 2.102 weight 1.000 ! spec=HCH_al, no=3027, id=4583, vol=1.970000e+07
    or (resid   69 and name HD21) (resid   69 and name  HB2)
    or (resid   69 and name HD23) (resid   69 and name  HB2)
assign (resid 82 and name HB1) (resid 69 and name HD22) 2.589 0.838 2.338 weight 1.000 ! spec=HCH_al, no=3028, id=4584, vol=7.300000e+06
    or (resid   82 and name  HB1) (resid   69 and name HD21)
    or (resid   82 and name  HB1) (resid   69 and name HD23)
assign (resid 79 and name HA) (resid 69 and name HD22) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=3030, id=4586, vol=1.180000e+07
    or (resid   79 and name   HA) (resid   69 and name HD21)
    or (resid   79 and name   HA) (resid   69 and name HD23)
assign (resid 69 and name HD22) (resid 78 and name HN) 3.234 1.308 2.808 weight 1.000 ! spec=HCH_al, no=3031, id=4587, vol=1.920000e+06
    or (resid   69 and name HD21) (resid   78 and name   HN)
    or (resid   69 and name HD23) (resid   78 and name   HN)
assign (resid 69 and name HD22) (resid 84 and name HE1) 2.491 0.775 2.275 weight 1.000 ! spec=HCH_al, no=3032, id=4588, vol=9.210000e+06
    or (resid   69 and name HD22) (resid   84 and name  HE2)
    or (resid   69 and name HD21) (resid   84 and name  HE1)
    or (resid   69 and name HD21) (resid   84 and name  HE2)
    or (resid   69 and name HD23) (resid   84 and name  HE1)
    or (resid   69 and name HD23) (resid   84 and name  HE2)
assign (resid 69 and name HD22) (resid 79 and name HN) 2.703 0.913 2.413 weight 1.000 ! spec=HCH_al, no=3034, id=4590, vol=5.640000e+06
    or (resid   69 and name HD21) (resid   79 and name   HN)
    or (resid   69 and name HD23) (resid   79 and name   HN)
assign (resid 69 and name HN) (resid 69 and name HD22) 2.679 0.897 2.397 weight 1.000 ! spec=HCH_al, no=3036, id=4592, vol=5.950000e+06
    or (resid   69 and name   HN) (resid   69 and name HD21)
    or (resid   69 and name   HN) (resid   69 and name HD23)
assign (resid 70 and name HB2) (resid 63 and name HA) 3.138 1.231 2.731 weight 1.000 ! spec=HCH_al, no=3041, id=4596, vol=2.300000e+06
    or (resid   70 and name  HB1) (resid   63 and name   HA)
    or (resid   70 and name  HB3) (resid   63 and name   HA)
assign (resid 79 and name HG1) (resid 79 and name HD2) 2.715 0.921 2.421 weight 1.000 ! spec=HCH_al, no=3045, id=4597, vol=5.490000e+06
assign (resid 3 and name HN) (resid 3 and name HG11) 3.560 1.584 3.084 weight 1.000 ! spec=HCH_al, no=3046, id=4598, vol=1.080000e+06
assign (resid 71 and name HD12) (resid 71 and name HG) 1.936 0.469 1.969 weight 1.000 ! spec=HCH_al, no=3048, id=4600, vol=4.170000e+07
    or (resid   71 and name HD11) (resid   71 and name   HG)
    or (resid   71 and name HD13) (resid   71 and name   HG)
assign (resid 30 and name HB1) (resid 71 and name HD12) 2.272 0.645 2.145 weight 1.000 ! spec=HCH_al, no=3050, id=4602, vol=1.600000e+07
    or (resid   30 and name  HB1) (resid   71 and name HD11)
    or (resid   30 and name  HB1) (resid   71 and name HD13)
assign (resid 30 and name HB2) (resid 71 and name HD12) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_al, no=3052, id=4604, vol=2.150000e+07
    or (resid   30 and name  HB2) (resid   71 and name HD11)
    or (resid   30 and name  HB2) (resid   71 and name HD13)
assign (resid 76 and name HA) (resid 71 and name HD12) 2.747 0.944 2.444 weight 1.000 ! spec=HCH_al, no=3053, id=4605, vol=5.110000e+06
    or (resid   76 and name   HA) (resid   71 and name HD11)
    or (resid   76 and name   HA) (resid   71 and name HD13)
assign (resid 30 and name HA) (resid 71 and name HD12) 2.742 0.940 2.44 weight 1.000 ! spec=HCH_al, no=3055, id=4607, vol=5.170000e+06
    or (resid   30 and name   HA) (resid   71 and name HD11)
    or (resid   30 and name   HA) (resid   71 and name HD13)
assign (resid 71 and name HN) (resid 71 and name HD12) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=3058, id=4610, vol=1.040000e+07
    or (resid   71 and name   HN) (resid   71 and name HD11)
    or (resid   71 and name   HN) (resid   71 and name HD13)
assign (resid 71 and name HD12) (resid 77 and name HN) 2.484 0.771 2.271 weight 1.000 ! spec=HCH_al, no=3059, id=4611, vol=9.350000e+06
    or (resid   71 and name HD11) (resid   77 and name   HN)
    or (resid   71 and name HD13) (resid   77 and name   HN)
assign (resid 71 and name HD12) (resid 71 and name HD22) 1.752 0.384 1.884 weight 1.000 ! spec=HCH_al, no=3060, id=4612, vol=7.590000e+07
    or (resid   71 and name HD12) (resid   71 and name HD21)
    or (resid   71 and name HD12) (resid   71 and name HD23)
    or (resid   71 and name HD11) (resid   71 and name HD22)
    or (resid   71 and name HD11) (resid   71 and name HD21)
    or (resid   71 and name HD11) (resid   71 and name HD23)
    or (resid   71 and name HD13) (resid   71 and name HD22)
    or (resid   71 and name HD13) (resid   71 and name HD21)
    or (resid   71 and name HD13) (resid   71 and name HD23)
assign (resid 71 and name HD22) (resid 30 and name HB2) 2.662 0.886 2.386 weight 1.000 ! spec=HCH_al, no=3064, id=4616, vol=6.180000e+06
    or (resid   71 and name HD21) (resid   30 and name  HB2)
    or (resid   71 and name HD23) (resid   30 and name  HB2)
assign (resid 71 and name HD22) (resid 71 and name HA) 2.062 0.531 2.031 weight 1.000 ! spec=HCH_al, no=3065, id=4617, vol=2.860000e+07
    or (resid   71 and name HD21) (resid   71 and name   HA)
    or (resid   71 and name HD23) (resid   71 and name   HA)
assign (resid 71 and name HN) (resid 71 and name HD22) 2.502 0.783 2.283 weight 1.000 ! spec=HCH_al, no=3069, id=4621, vol=8.950000e+06
    or (resid   71 and name   HN) (resid   71 and name HD21)
    or (resid   71 and name   HN) (resid   71 and name HD23)
assign (resid 77 and name HN) (resid 71 and name HD22) 2.759 0.952 2.452 weight 1.000 ! spec=HCH_al, no=3070, id=4622, vol=4.980000e+06
    or (resid   77 and name   HN) (resid   71 and name HD21)
    or (resid   77 and name   HN) (resid   71 and name HD23)
assign (resid 33 and name HN) (resid 75 and name HG21) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=3080, id=4624, vol=4.810000e+06
    or (resid   33 and name   HN) (resid   75 and name HG22)
    or (resid   33 and name   HN) (resid   75 and name HG23)
assign (resid 75 and name HN) (resid 75 and name HG21) 2.304 0.663 2.163 weight 1.000 ! spec=HCH_al, no=3081, id=4625, vol=1.470000e+07
    or (resid   75 and name   HN) (resid   75 and name HG22)
    or (resid   75 and name   HN) (resid   75 and name HG23)
assign (resid 32 and name HB2) (resid 75 and name HG21) 2.461 0.757 2.257 weight 1.000 ! spec=HCH_al, no=3082, id=4626, vol=9.890000e+06
    or (resid   32 and name  HB2) (resid   75 and name HG22)
    or (resid   32 and name  HB2) (resid   75 and name HG23)
assign (resid 75 and name HG21) (resid 75 and name HA) 2.176 0.592 2.092 weight 1.000 ! spec=HCH_al, no=3084, id=4628, vol=2.070000e+07
    or (resid   75 and name HG22) (resid   75 and name   HA)
    or (resid   75 and name HG23) (resid   75 and name   HA)
assign (resid 78 and name HG) (resid 81 and name HZ2) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=3093, id=4633, vol=1.050000e+06
assign (resid 78 and name HD12) (resid 78 and name HB1) 2.215 0.613 2.113 weight 1.000 ! spec=HCH_al, no=3094, id=4634, vol=1.860000e+07
    or (resid   78 and name HD11) (resid   78 and name  HB1)
    or (resid   78 and name HD13) (resid   78 and name  HB1)
assign (resid 78 and name HD22) (resid 78 and name HD12) 1.888 0.446 1.946 weight 1.000 ! spec=HCH_al, no=3095, id=4635, vol=4.850000e+07
    or (resid   78 and name HD22) (resid   78 and name HD11)
    or (resid   78 and name HD22) (resid   78 and name HD13)
    or (resid   78 and name HD21) (resid   78 and name HD12)
    or (resid   78 and name HD21) (resid   78 and name HD11)
    or (resid   78 and name HD21) (resid   78 and name HD13)
    or (resid   78 and name HD23) (resid   78 and name HD12)
    or (resid   78 and name HD23) (resid   78 and name HD11)
    or (resid   78 and name HD23) (resid   78 and name HD13)
assign (resid 78 and name HG) (resid 78 and name HD12) 1.896 0.449 1.949 weight 1.000 ! spec=HCH_al, no=3096, id=4636, vol=4.730000e+07
    or (resid   78 and name   HG) (resid   78 and name HD11)
    or (resid   78 and name   HG) (resid   78 and name HD13)
assign (resid 78 and name HD12) (resid 81 and name HD1) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_al, no=3099, id=4639, vol=3.720000e+06
    or (resid   78 and name HD11) (resid   81 and name  HD1)
    or (resid   78 and name HD13) (resid   81 and name  HD1)
assign (resid 81 and name HN) (resid 78 and name HD12) 2.665 0.888 2.388 weight 1.000 ! spec=HCH_al, no=3100, id=4640, vol=6.140000e+06
    or (resid   81 and name   HN) (resid   78 and name HD11)
    or (resid   81 and name   HN) (resid   78 and name HD13)
assign (resid 81 and name HE1) (resid 78 and name HD12) 2.209 0.610 2.11 weight 1.000 ! spec=HCH_al, no=3102, id=4642, vol=1.890000e+07
    or (resid   81 and name  HE1) (resid   78 and name HD11)
    or (resid   81 and name  HE1) (resid   78 and name HD13)
assign (resid 78 and name HG) (resid 78 and name HD22) 2.008 0.504 2.004 weight 1.000 ! spec=HCH_al, no=3103, id=4643, vol=3.350000e+07
    or (resid   78 and name   HG) (resid   78 and name HD21)
    or (resid   78 and name   HG) (resid   78 and name HD23)
assign (resid 78 and name HD22) (resid 79 and name HB2) 3.095 1.197 2.697 weight 1.000 ! spec=HCH_al, no=3104, id=4644, vol=2.500000e+06
    or (resid   78 and name HD21) (resid   79 and name  HB2)
    or (resid   78 and name HD23) (resid   79 and name  HB2)
assign (resid 24 and name HN) (resid 78 and name HD22) 2.672 0.892 2.392 weight 1.000 ! spec=HCH_al, no=3105, id=4645, vol=6.040000e+06
    or (resid   24 and name   HN) (resid   78 and name HD21)
    or (resid   24 and name   HN) (resid   78 and name HD23)
assign (resid 79 and name HA) (resid 79 and name HD2) 2.926 1.070 2.57 weight 1.000 ! spec=HCH_al, no=3107, id=4647, vol=3.500000e+06
assign (resid 79 and name HB1) (resid 79 and name HD2) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=3108, id=4648, vol=4.530000e+06
assign (resid 79 and name HB2) (resid 79 and name HD2) 2.748 0.944 2.444 weight 1.000 ! spec=HCH_al, no=3109, id=4649, vol=5.100000e+06
assign (resid 79 and name HB1) (resid 79 and name HD1) 2.903 1.054 2.554 weight 1.000 ! spec=HCH_al, no=3110, id=4650, vol=3.670000e+06
assign (resid 79 and name HB2) (resid 79 and name HD1) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=3111, id=4651, vol=5.440000e+06
assign (resid 79 and name HB2) (resid 79 and name HA) 2.880 1.037 2.537 weight 1.000 ! spec=HCH_al, no=3112, id=4652, vol=3.850000e+06
assign (resid 79 and name HB2) (resid 67 and name HA) 3.243 1.315 2.815 weight 1.000 ! spec=HCH_al, no=3113, id=4653, vol=1.890000e+06
assign (resid 79 and name HG2) (resid 79 and name HD1) 2.715 0.921 2.421 weight 1.000 ! spec=HCH_al, no=3114, id=4654, vol=5.490000e+06
assign (resid 79 and name HN) (resid 79 and name HG1) 2.802 0.982 2.482 weight 1.000 ! spec=HCH_al, no=3115, id=4655, vol=4.540000e+06
assign (resid 81 and name HB2) (resid 81 and name HB1) 2.291 0.656 2.156 weight 1.000 ! spec=HCH_al, no=3122, id=4657, vol=1.520000e+07
assign (resid 82 and name HB1) (resid 84 and name HE1) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=3126, id=4658, vol=1.540000e+06
    or (resid   82 and name  HB1) (resid   84 and name  HE2)
assign (resid 83 and name HG1) (resid 83 and name HA) 2.846 1.012 2.512 weight 1.000 ! spec=HCH_al, no=3131, id=4660, vol=4.140000e+06
assign (resid 86 and name HB1) (resid 86 and name HN) 2.418 0.731 2.231 weight 1.000 ! spec=HCH_al, no=3143, id=4661, vol=1.100000e+07
assign (resid 86 and name HB1) (resid 86 and name HA) 2.352 0.691 2.191 weight 1.000 ! spec=HCH_al, no=3144, id=4662, vol=1.300000e+07
assign (resid 93 and name HG) (resid 92 and name HN) 2.622 0.859 2.359 weight 1.000 ! spec=HCH_al, no=3149, id=4665, vol=6.770000e+06
assign (resid 93 and name HD12) (resid 93 and name HA) 2.377 0.706 2.206 weight 1.000 ! spec=HCH_al, no=3150, id=4666, vol=1.220000e+07
    or (resid   93 and name HD11) (resid   93 and name   HA)
    or (resid   93 and name HD13) (resid   93 and name   HA)
assign (resid 93 and name HD12) (resid 92 and name HN) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=3151, id=4667, vol=8.360000e+06
    or (resid   93 and name HD11) (resid   92 and name   HN)
    or (resid   93 and name HD13) (resid   92 and name   HN)
assign (resid 93 and name HD12) (resid 93 and name HN) 2.510 0.788 2.288 weight 1.000 ! spec=HCH_al, no=3152, id=4668, vol=8.790000e+06
    or (resid   93 and name HD11) (resid   93 and name   HN)
    or (resid   93 and name HD13) (resid   93 and name   HN)
assign (resid 87 and name HG) (resid 87 and name HA) 2.664 0.887 2.387 weight 1.000 ! spec=HCH_al, no=3171, id=4677, vol=6.150000e+06
assign (resid 93 and name HD12) (resid 93 and name HG) 1.732 0.375 1.875 weight 1.000 ! spec=HCH_al, no=3173, id=4678, vol=8.140000e+07
    or (resid   93 and name HD11) (resid   93 and name   HG)
    or (resid   93 and name HD13) (resid   93 and name   HG)
assign (resid 87 and name HD12) (resid 87 and name HA) 2.429 0.738 2.238 weight 1.000 ! spec=HCH_al, no=3174, id=4679, vol=1.070000e+07
    or (resid   87 and name HD11) (resid   87 and name   HA)
    or (resid   87 and name HD13) (resid   87 and name   HA)
assign (resid 94 and name HG2) (resid 94 and name HB2) 1.749 0.382 1.882 weight 1.000 ! spec=HCH_al, no=3178, id=4683, vol=7.680000e+07
    or (resid   94 and name  HG2) (resid   94 and name  HB1)
assign (resid 95 and name HB2) (resid 95 and name HD2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=3183, id=4687, vol=1.170000e+07
assign (resid 93 and name HN) (resid 95 and name HB2) 3.145 1.237 2.737 weight 1.000 ! spec=HCH_al, no=3185, id=4688, vol=2.270000e+06
assign (resid 95 and name HB1) (resid 95 and name HE1) 3.218 1.294 2.794 weight 1.000 ! spec=HCH_al, no=3186, id=4689, vol=1.980000e+06
assign (resid 95 and name HB2) (resid 95 and name HN) 3.374 1.423 2.923 weight 1.000 ! spec=HCH_al, no=3187, id=4690, vol=1.490000e+06
assign (resid 96 and name HB1) (resid 96 and name HB2) 1.419 0.252 1.752 weight 1.000 ! spec=HCH_al, no=3190, id=4692, vol=2.690000e+08
assign (resid 48 and name HB2) (resid 37 and name HD22) 2.606 0.849 2.349 weight 1.000 ! spec=HCH_al, no=3193, id=4693, vol=7.010000e+06
    or (resid   48 and name  HB2) (resid   37 and name HD21)
    or (resid   48 and name  HB2) (resid   37 and name HD23)
    or (resid   48 and name  HB2) (resid   37 and name HD12)
    or (resid   48 and name  HB2) (resid   37 and name HD11)
    or (resid   48 and name  HB2) (resid   37 and name HD13)
assign (resid 50 and name HN) (resid 48 and name HG2) 3.642 1.658 3.158 weight 1.000 ! spec=HCH_al, no=3194, id=4694, vol=9.420000e+05
    or (resid   50 and name   HN) (resid   48 and name  HG1)
assign (resid 31 and name HG12) (resid 31 and name HB) 1.949 0.475 1.975 weight 1.000 ! spec=HCH_al, no=3210, id=4695, vol=4.010000e+07
    or (resid   31 and name HG11) (resid   31 and name   HB)
    or (resid   31 and name HG13) (resid   31 and name   HB)
assign (resid 31 and name HG12) (resid 31 and name HA) 2.044 0.522 2.022 weight 1.000 ! spec=HCH_al, no=3213, id=4698, vol=3.010000e+07
    or (resid   31 and name HG11) (resid   31 and name   HA)
    or (resid   31 and name HG13) (resid   31 and name   HA)
assign (resid 31 and name HG12) (resid 31 and name HN) 2.519 0.793 2.293 weight 1.000 ! spec=HCH_al, no=3216, id=4701, vol=8.600000e+06
    or (resid   31 and name HG11) (resid   31 and name   HN)
    or (resid   31 and name HG13) (resid   31 and name   HN)
assign (resid 31 and name HG22) (resid 31 and name HB) 1.934 0.468 1.968 weight 1.000 ! spec=HCH_al, no=3219, id=4703, vol=4.200000e+07
    or (resid   31 and name HG21) (resid   31 and name   HB)
    or (resid   31 and name HG23) (resid   31 and name   HB)
assign (resid 31 and name HG22) (resid 36 and name HB1) 2.367 0.700 2.2 weight 1.000 ! spec=HCH_al, no=3220, id=4704, vol=1.250000e+07
    or (resid   31 and name HG21) (resid   36 and name  HB1)
    or (resid   31 and name HG23) (resid   36 and name  HB1)
assign (resid 31 and name HG22) (resid 36 and name HB2) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_al, no=3221, id=4705, vol=7.160000e+06
    or (resid   31 and name HG21) (resid   36 and name  HB2)
    or (resid   31 and name HG23) (resid   36 and name  HB2)
assign (resid 27 and name HB2) (resid 31 and name HG22) 3.018 1.138 2.638 weight 1.000 ! spec=HCH_al, no=3224, id=4707, vol=2.910000e+06
    or (resid   27 and name  HB2) (resid   31 and name HG21)
    or (resid   27 and name  HB2) (resid   31 and name HG23)
assign (resid 31 and name HG22) (resid 36 and name HA) 2.358 0.695 2.195 weight 1.000 ! spec=HCH_al, no=3226, id=4709, vol=1.280000e+07
    or (resid   31 and name HG21) (resid   36 and name   HA)
    or (resid   31 and name HG23) (resid   36 and name   HA)
assign (resid 30 and name HA) (resid 31 and name HG22) 2.582 0.834 2.334 weight 1.000 ! spec=HCH_al, no=3229, id=4712, vol=7.410000e+06
    or (resid   30 and name   HA) (resid   31 and name HG21)
    or (resid   30 and name   HA) (resid   31 and name HG23)
assign (resid 31 and name HG22) (resid 24 and name HZ) 2.594 0.841 2.341 weight 1.000 ! spec=HCH_al, no=3231, id=4714, vol=7.220000e+06
    or (resid   31 and name HG21) (resid   24 and name   HZ)
    or (resid   31 and name HG23) (resid   24 and name   HZ)
assign (resid 31 and name HG22) (resid 27 and name HD2) 2.696 0.908 2.408 weight 1.000 ! spec=HCH_al, no=3232, id=4715, vol=5.730000e+06
    or (resid   31 and name HG21) (resid   27 and name  HD2)
    or (resid   31 and name HG23) (resid   27 and name  HD2)
assign (resid 31 and name HG22) (resid 36 and name HN) 2.549 0.812 2.312 weight 1.000 ! spec=HCH_al, no=3234, id=4717, vol=8.010000e+06
    or (resid   31 and name HG21) (resid   36 and name   HN)
    or (resid   31 and name HG23) (resid   36 and name   HN)
assign (resid 31 and name HG22) (resid 76 and name HN) 2.807 0.985 2.485 weight 1.000 ! spec=HCH_al, no=3235, id=4718, vol=4.490000e+06
    or (resid   31 and name HG21) (resid   76 and name   HN)
    or (resid   31 and name HG23) (resid   76 and name   HN)
assign (resid 31 and name HG22) (resid 31 and name HN) 2.138 0.571 2.071 weight 1.000 ! spec=HCH_al, no=3236, id=4719, vol=2.300000e+07
    or (resid   31 and name HG21) (resid   31 and name   HN)
    or (resid   31 and name HG23) (resid   31 and name   HN)
assign (resid 46 and name HG12) (resid 44 and name HB1) 2.262 0.640 2.14 weight 1.000 ! spec=HCH_al, no=3239, id=4721, vol=1.640000e+07
    or (resid   46 and name HG11) (resid   44 and name  HB1)
    or (resid   46 and name HG13) (resid   44 and name  HB1)
assign (resid 46 and name HG12) (resid 44 and name HG) 2.407 0.724 2.224 weight 1.000 ! spec=HCH_al, no=3240, id=4722, vol=1.130000e+07
    or (resid   46 and name HG11) (resid   44 and name   HG)
    or (resid   46 and name HG13) (resid   44 and name   HG)
assign (resid 46 and name HB) (resid 46 and name HG12) 1.817 0.413 1.913 weight 1.000 ! spec=HCH_al, no=3241, id=4723, vol=6.110000e+07
    or (resid   46 and name   HB) (resid   46 and name HG11)
    or (resid   46 and name   HB) (resid   46 and name HG13)
assign (resid 46 and name HG12) (resid 41 and name HA) 2.791 0.974 2.474 weight 1.000 ! spec=HCH_al, no=3243, id=4725, vol=4.650000e+06
    or (resid   46 and name HG11) (resid   41 and name   HA)
    or (resid   46 and name HG13) (resid   41 and name   HA)
assign (resid 46 and name HN) (resid 46 and name HG12) 2.240 0.627 2.127 weight 1.000 ! spec=HCH_al, no=3249, id=4731, vol=1.740000e+07
    or (resid   46 and name   HN) (resid   46 and name HG11)
    or (resid   46 and name   HN) (resid   46 and name HG13)
assign (resid 45 and name HN) (resid 46 and name HG12) 2.466 0.760 2.26 weight 1.000 ! spec=HCH_al, no=3250, id=4732, vol=9.780000e+06
    or (resid   45 and name   HN) (resid   46 and name HG11)
    or (resid   45 and name   HN) (resid   46 and name HG13)
assign (resid 46 and name HG22) (resid 44 and name HB1) 2.105 0.554 2.054 weight 1.000 ! spec=HCH_al, no=3253, id=4735, vol=2.530000e+07
    or (resid   46 and name HG21) (resid   44 and name  HB1)
    or (resid   46 and name HG23) (resid   44 and name  HB1)
assign (resid 22 and name HG2) (resid 3 and name HD12) 2.926 1.070 2.57 weight 1.000 ! spec=HCH_al, no=3257, id=4739, vol=3.500000e+06
    or (resid   22 and name  HG2) (resid    3 and name HD11)
    or (resid   22 and name  HG2) (resid    3 and name HD13)
assign (resid 3 and name HD12) (resid 22 and name HA) 3.145 1.237 2.737 weight 1.000 ! spec=HCH_al, no=3259, id=4741, vol=2.270000e+06
    or (resid    3 and name HD11) (resid   22 and name   HA)
    or (resid    3 and name HD13) (resid   22 and name   HA)
assign (resid 19 and name HG22) (resid 40 and name HD12) 2.151 0.578 2.078 weight 1.000 ! spec=HCH_al, no=3264, id=4743, vol=2.220000e+07
    or (resid   19 and name HG22) (resid   40 and name HD11)
    or (resid   19 and name HG22) (resid   40 and name HD13)
    or (resid   19 and name HG21) (resid   40 and name HD12)
    or (resid   19 and name HG21) (resid   40 and name HD11)
    or (resid   19 and name HG21) (resid   40 and name HD13)
    or (resid   19 and name HG23) (resid   40 and name HD12)
    or (resid   19 and name HG23) (resid   40 and name HD11)
    or (resid   19 and name HG23) (resid   40 and name HD13)
assign (resid 19 and name HG22) (resid 3 and name HG11) 2.565 0.822 2.322 weight 1.000 ! spec=HCH_al, no=3266, id=4745, vol=7.720000e+06
    or (resid   19 and name HG21) (resid    3 and name HG11)
    or (resid   19 and name HG23) (resid    3 and name HG11)
assign (resid 40 and name HD12) (resid 36 and name HD22) 1.814 0.412 1.912 weight 1.000 ! spec=HCH_al, no=3272, id=4749, vol=6.160000e+07
    or (resid   40 and name HD12) (resid   36 and name HD21)
    or (resid   40 and name HD12) (resid   36 and name HD23)
    or (resid   40 and name HD12) (resid   36 and name HD12)
    or (resid   40 and name HD12) (resid   36 and name HD11)
    or (resid   40 and name HD12) (resid   36 and name HD13)
    or (resid   40 and name HD11) (resid   36 and name HD22)
    or (resid   40 and name HD11) (resid   36 and name HD21)
    or (resid   40 and name HD11) (resid   36 and name HD23)
    or (resid   40 and name HD11) (resid   36 and name HD12)
    or (resid   40 and name HD11) (resid   36 and name HD11)
    or (resid   40 and name HD11) (resid   36 and name HD13)
    or (resid   40 and name HD13) (resid   36 and name HD22)
    or (resid   40 and name HD13) (resid   36 and name HD21)
    or (resid   40 and name HD13) (resid   36 and name HD23)
    or (resid   40 and name HD13) (resid   36 and name HD12)
    or (resid   40 and name HD13) (resid   36 and name HD11)
    or (resid   40 and name HD13) (resid   36 and name HD13)
assign (resid 47 and name HN) (resid 46 and name HG22) 2.279 0.649 2.149 weight 1.000 ! spec=HCH_al, no=3278, id=4752, vol=1.570000e+07
    or (resid   47 and name   HN) (resid   46 and name HG21)
    or (resid   47 and name   HN) (resid   46 and name HG23)
assign (resid 69 and name HD12) (resid 69 and name HD22) 1.628 0.331 1.831 weight 1.000 ! spec=HCH_al, no=3282, id=4754, vol=1.180000e+08
    or (resid   69 and name HD12) (resid   69 and name HD21)
    or (resid   69 and name HD12) (resid   69 and name HD23)
    or (resid   69 and name HD11) (resid   69 and name HD22)
    or (resid   69 and name HD11) (resid   69 and name HD21)
    or (resid   69 and name HD11) (resid   69 and name HD23)
    or (resid   69 and name HD13) (resid   69 and name HD22)
    or (resid   69 and name HD13) (resid   69 and name HD21)
    or (resid   69 and name HD13) (resid   69 and name HD23)
assign (resid 71 and name HD22) (resid 76 and name HA) 2.883 1.039 2.539 weight 1.000 ! spec=HCH_al, no=3284, id=4756, vol=3.830000e+06
    or (resid   71 and name HD21) (resid   76 and name   HA)
    or (resid   71 and name HD23) (resid   76 and name   HA)
assign (resid 30 and name HA) (resid 71 and name HD22) 3.452 1.489 2.989 weight 1.000 ! spec=HCH_al, no=3285, id=4757, vol=1.300000e+06
    or (resid   30 and name   HA) (resid   71 and name HD21)
    or (resid   30 and name   HA) (resid   71 and name HD23)
assign (resid 33 and name HB2) (resid 62 and name HD22) 3.348 1.401 2.901 weight 1.000 ! spec=HCH_al, no=3288, id=4760, vol=1.560000e+06
    or (resid   33 and name  HB2) (resid   62 and name HD21)
    or (resid   33 and name  HB2) (resid   62 and name HD23)
assign (resid 69 and name HD22) (resid 79 and name HD2) 2.887 1.042 2.542 weight 1.000 ! spec=HCH_al, no=3300, id=4763, vol=3.800000e+06
    or (resid   69 and name HD21) (resid   79 and name  HD2)
    or (resid   69 and name HD23) (resid   79 and name  HD2)
assign (resid 58 and name HN) (resid 54 and name HA) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=3305, id=4765, vol=4.050000e+06
assign (resid 37 and name HN) (resid 33 and name HA) 3.157 1.246 2.746 weight 1.000 ! spec=HCH_al, no=3306, id=4766, vol=2.220000e+06
assign (resid 21 and name HN) (resid 18 and name HA) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=3307, id=4767, vol=5.180000e+06
assign (resid 58 and name HE1) (resid 63 and name HD21) 2.363 0.698 2.198 weight 1.000 ! spec=HCH_ar, no=2, id=4769, vol=4.580000e+06
    or (resid   58 and name  HE2) (resid   63 and name HD21)
assign (resid 59 and name HD1) (resid 59 and name HE1) 1.787 0.399 1.899 weight 1.000 ! spec=HCH_ar, no=7, id=4774, vol=2.450000e+07
    or (resid   59 and name  HD1) (resid   59 and name  HE2)
    or (resid   59 and name  HD2) (resid   59 and name  HE1)
    or (resid   59 and name  HD2) (resid   59 and name  HE2)
assign (resid 82 and name HE1) (resid 84 and name HD1) 1.730 0.374 1.874 weight 1.000 ! spec=HCH_ar, no=9, id=4776, vol=2.970000e+07
    or (resid   82 and name  HE1) (resid   84 and name  HD2)
    or (resid   82 and name  HE2) (resid   84 and name  HD1)
    or (resid   82 and name  HE2) (resid   84 and name  HD2)
assign (resid 84 and name HE1) (resid 82 and name HD1) 1.850 0.428 1.928 weight 1.000 ! spec=HCH_ar, no=10, id=4777, vol=1.990000e+07
    or (resid   84 and name  HE1) (resid   82 and name  HD2)
    or (resid   84 and name  HE2) (resid   82 and name  HD1)
    or (resid   84 and name  HE2) (resid   82 and name  HD2)
assign (resid 76 and name HE1) (resid 76 and name HZ2) 2.626 0.862 2.362 weight 1.000 ! spec=HCH_ar, no=12, id=4779, vol=2.430000e+06
assign (resid 76 and name HZ2) (resid 76 and name HH2) 2.130 0.567 2.067 weight 1.000 ! spec=HCH_ar, no=13, id=4780, vol=8.540000e+06
assign (resid 81 and name HE1) (resid 81 and name HD1) 2.307 0.665 2.165 weight 1.000 ! spec=HCH_ar, no=15, id=4782, vol=5.290000e+06
assign (resid 81 and name HZ2) (resid 81 and name HH2) 2.474 0.765 2.265 weight 1.000 ! spec=HCH_ar, no=19, id=4786, vol=3.480000e+06
assign (resid 95 and name HD2) (resid 95 and name HE1) 3.135 1.228 2.728 weight 1.000 ! spec=HCH_ar, no=22, id=4787, vol=8.400000e+05
assign (resid 6 and name HE1) (resid 6 and name HD1) 1.725 0.372 1.872 weight 1.000 ! spec=HCH_ar, no=24, id=4789, vol=3.030000e+07
    or (resid    6 and name  HE1) (resid    6 and name  HD2)
    or (resid    6 and name  HE2) (resid    6 and name  HD1)
    or (resid    6 and name  HE2) (resid    6 and name  HD2)
assign (resid 68 and name HE1) (resid 68 and name HD1) 2.313 0.669 2.169 weight 1.000 ! spec=HCH_ar, no=25, id=4790, vol=5.200000e+06
    or (resid   68 and name  HE1) (resid   68 and name  HD2)
    or (resid   68 and name  HE2) (resid   68 and name  HD1)
    or (resid   68 and name  HE2) (resid   68 and name  HD2)
assign (resid 21 and name HN) (resid 68 and name HE1) 3.469 1.505 3.005 weight 1.000 ! spec=HCH_ar, no=31, id=4793, vol=4.570000e+05
    or (resid   21 and name   HN) (resid   68 and name  HE2)
assign (resid 68 and name HE1) (resid 65 and name HB2) 3.190 1.272 2.772 weight 1.000 ! spec=HCH_ar, no=35, id=4797, vol=7.570000e+05
    or (resid   68 and name  HE2) (resid   65 and name  HB2)
assign (resid 68 and name HE1) (resid 65 and name HB1) 3.380 1.428 2.928 weight 1.000 ! spec=HCH_ar, no=36, id=4798, vol=5.350000e+05
    or (resid   68 and name  HE2) (resid   65 and name  HB1)
assign (resid 24 and name HE1) (resid 62 and name HD22) 3.207 1.285 2.785 weight 1.000 ! spec=HCH_ar, no=39, id=4801, vol=7.330000e+05
    or (resid   24 and name  HE1) (resid   62 and name HD21)
    or (resid   24 and name  HE1) (resid   62 and name HD23)
    or (resid   24 and name  HE2) (resid   62 and name HD22)
    or (resid   24 and name  HE2) (resid   62 and name HD21)
    or (resid   24 and name  HE2) (resid   62 and name HD23)
assign (resid 24 and name HN) (resid 68 and name HZ) 3.459 1.496 2.996 weight 1.000 ! spec=HCH_ar, no=41, id=4802, vol=4.650000e+05
assign (resid 68 and name HZ) (resid 23 and name HN) 3.581 1.603 3.103 weight 1.000 ! spec=HCH_ar, no=42, id=4803, vol=3.780000e+05
assign (resid 68 and name HZ) (resid 24 and name HB1) 3.159 1.247 2.747 weight 1.000 ! spec=HCH_ar, no=52, id=4812, vol=8.020000e+05
assign (resid 68 and name HZ) (resid 36 and name HD22) 2.918 1.065 2.565 weight 1.000 ! spec=HCH_ar, no=58, id=4818, vol=1.290000e+06
    or (resid   68 and name   HZ) (resid   36 and name HD21)
    or (resid   68 and name   HZ) (resid   36 and name HD23)
    or (resid   68 and name   HZ) (resid   36 and name HD12)
    or (resid   68 and name   HZ) (resid   36 and name HD11)
    or (resid   68 and name   HZ) (resid   36 and name HD13)
assign (resid 68 and name HZ) (resid 62 and name HG) 3.524 1.553 3.053 weight 1.000 ! spec=HCH_ar, no=60, id=4820, vol=4.160000e+05
assign (resid 24 and name HZ) (resid 76 and name HB2) 2.813 0.989 2.489 weight 1.000 ! spec=HCH_ar, no=66, id=4824, vol=1.610000e+06
    or (resid   24 and name   HZ) (resid   76 and name  HB1)
assign (resid 24 and name HZ) (resid 62 and name HD22) 3.972 1.972 3.472 weight 1.000 ! spec=HCH_ar, no=70, id=4828, vol=2.030000e+05
    or (resid   24 and name   HZ) (resid   62 and name HD21)
    or (resid   24 and name   HZ) (resid   62 and name HD23)
assign (resid 33 and name HD1) (resid 37 and name HD22) 2.966 1.100 2.6 weight 1.000 ! spec=HCH_ar, no=82, id=4839, vol=1.170000e+06
    or (resid   33 and name  HD1) (resid   37 and name HD21)
    or (resid   33 and name  HD1) (resid   37 and name HD23)
    or (resid   33 and name  HD1) (resid   37 and name HD12)
    or (resid   33 and name  HD1) (resid   37 and name HD11)
    or (resid   33 and name  HD1) (resid   37 and name HD13)
    or (resid   33 and name  HD2) (resid   37 and name HD22)
    or (resid   33 and name  HD2) (resid   37 and name HD21)
    or (resid   33 and name  HD2) (resid   37 and name HD23)
    or (resid   33 and name  HD2) (resid   37 and name HD12)
    or (resid   33 and name  HD2) (resid   37 and name HD11)
    or (resid   33 and name  HD2) (resid   37 and name HD13)
assign (resid 33 and name HD1) (resid 62 and name HG) 3.865 1.868 3.368 weight 1.000 ! spec=HCH_ar, no=83, id=4840, vol=2.390000e+05
    or (resid   33 and name  HD2) (resid   62 and name   HG)
assign (resid 33 and name HE1) (resid 76 and name HE1) 3.802 1.807 3.307 weight 1.000 ! spec=HCH_ar, no=85, id=4842, vol=2.640000e+05
    or (resid   33 and name  HE2) (resid   76 and name  HE1)
assign (resid 33 and name HE1) (resid 34 and name HN) 3.896 1.897 3.397 weight 1.000 ! spec=HCH_ar, no=86, id=4843, vol=2.280000e+05
    or (resid   33 and name  HE2) (resid   34 and name   HN)
assign (resid 33 and name HE1) (resid 33 and name HA) 3.371 1.421 2.921 weight 1.000 ! spec=HCH_ar, no=88, id=4845, vol=5.430000e+05
    or (resid   33 and name  HE2) (resid   33 and name   HA)
assign (resid 33 and name HE1) (resid 37 and name HD22) 3.052 1.164 2.664 weight 1.000 ! spec=HCH_ar, no=92, id=4849, vol=9.870000e+05
    or (resid   33 and name  HE1) (resid   37 and name HD21)
    or (resid   33 and name  HE1) (resid   37 and name HD23)
    or (resid   33 and name  HE1) (resid   37 and name HD12)
    or (resid   33 and name  HE1) (resid   37 and name HD11)
    or (resid   33 and name  HE1) (resid   37 and name HD13)
    or (resid   33 and name  HE2) (resid   37 and name HD22)
    or (resid   33 and name  HE2) (resid   37 and name HD21)
    or (resid   33 and name  HE2) (resid   37 and name HD23)
    or (resid   33 and name  HE2) (resid   37 and name HD12)
    or (resid   33 and name  HE2) (resid   37 and name HD11)
    or (resid   33 and name  HE2) (resid   37 and name HD13)
assign (resid 58 and name HE1) (resid 17 and name HG22) 2.907 1.057 2.557 weight 1.000 ! spec=HCH_ar, no=106, id=4861, vol=1.320000e+06
    or (resid   58 and name  HE1) (resid   17 and name HG21)
    or (resid   58 and name  HE1) (resid   17 and name HG23)
    or (resid   58 and name  HE1) (resid   17 and name HG12)
    or (resid   58 and name  HE1) (resid   17 and name HG11)
    or (resid   58 and name  HE1) (resid   17 and name HG13)
    or (resid   58 and name  HE2) (resid   17 and name HG22)
    or (resid   58 and name  HE2) (resid   17 and name HG21)
    or (resid   58 and name  HE2) (resid   17 and name HG23)
    or (resid   58 and name  HE2) (resid   17 and name HG12)
    or (resid   58 and name  HE2) (resid   17 and name HG11)
    or (resid   58 and name  HE2) (resid   17 and name HG13)
assign (resid 62 and name HG) (resid 58 and name HE1) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_ar, no=108, id=4863, vol=1.900000e+06
    or (resid   62 and name   HG) (resid   58 and name  HE2)
assign (resid 17 and name HN) (resid 58 and name HD1) 3.077 1.183 2.683 weight 1.000 ! spec=HCH_ar, no=111, id=4865, vol=9.400000e+05
    or (resid   17 and name   HN) (resid   58 and name  HD2)
assign (resid 61 and name HN) (resid 58 and name HD1) 3.404 1.449 2.949 weight 1.000 ! spec=HCH_ar, no=112, id=4866, vol=5.120000e+05
    or (resid   61 and name   HN) (resid   58 and name  HD2)
assign (resid 58 and name HD1) (resid 58 and name HA) 2.426 0.736 2.236 weight 1.000 ! spec=HCH_ar, no=114, id=4868, vol=3.910000e+06
    or (resid   58 and name  HD2) (resid   58 and name   HA)
assign (resid 58 and name HD1) (resid 17 and name HG22) 2.511 0.788 2.288 weight 1.000 ! spec=HCH_ar, no=118, id=4871, vol=3.180000e+06
    or (resid   58 and name  HD1) (resid   17 and name HG21)
    or (resid   58 and name  HD1) (resid   17 and name HG23)
    or (resid   58 and name  HD1) (resid   17 and name HG12)
    or (resid   58 and name  HD1) (resid   17 and name HG11)
    or (resid   58 and name  HD1) (resid   17 and name HG13)
    or (resid   58 and name  HD2) (resid   17 and name HG22)
    or (resid   58 and name  HD2) (resid   17 and name HG21)
    or (resid   58 and name  HD2) (resid   17 and name HG23)
    or (resid   58 and name  HD2) (resid   17 and name HG12)
    or (resid   58 and name  HD2) (resid   17 and name HG11)
    or (resid   58 and name  HD2) (resid   17 and name HG13)
assign (resid 69 and name HN) (resid 68 and name HD1) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_ar, no=124, id=4875, vol=1.020000e+06
    or (resid   69 and name   HN) (resid   68 and name  HD2)
assign (resid 68 and name HD1) (resid 21 and name HD2) 3.774 1.780 3.28 weight 1.000 ! spec=HCH_ar, no=130, id=4880, vol=2.760000e+05
    or (resid   68 and name  HD2) (resid   21 and name  HD2)
assign (resid 68 and name HD1) (resid 78 and name HA) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_ar, no=132, id=4882, vol=1.020000e+06
    or (resid   68 and name  HD2) (resid   78 and name   HA)
assign (resid 68 and name HB2) (resid 68 and name HD1) 2.472 0.764 2.264 weight 1.000 ! spec=HCH_ar, no=135, id=4885, vol=3.490000e+06
    or (resid   68 and name  HB2) (resid   68 and name  HD2)
assign (resid 68 and name HD1) (resid 79 and name HD2) 2.361 0.697 2.197 weight 1.000 ! spec=HCH_ar, no=136, id=4886, vol=4.600000e+06
    or (resid   68 and name  HD2) (resid   79 and name  HD2)
assign (resid 68 and name HD1) (resid 65 and name HB1) 2.804 0.983 2.483 weight 1.000 ! spec=HCH_ar, no=137, id=4887, vol=1.640000e+06
    or (resid   68 and name  HD2) (resid   65 and name  HB1)
assign (resid 68 and name HD1) (resid 17 and name HB) 3.826 1.830 3.33 weight 1.000 ! spec=HCH_ar, no=138, id=4888, vol=2.540000e+05
    or (resid   68 and name  HD2) (resid   17 and name   HB)
assign (resid 68 and name HD1) (resid 20 and name HB2) 3.249 1.320 2.82 weight 1.000 ! spec=HCH_ar, no=140, id=4890, vol=6.770000e+05
    or (resid   68 and name  HD1) (resid   20 and name  HB1)
    or (resid   68 and name  HD1) (resid   20 and name  HB3)
    or (resid   68 and name  HD2) (resid   20 and name  HB2)
    or (resid   68 and name  HD2) (resid   20 and name  HB1)
    or (resid   68 and name  HD2) (resid   20 and name  HB3)
assign (resid 68 and name HD1) (resid 17 and name HG22) 2.950 1.088 2.588 weight 1.000 ! spec=HCH_ar, no=142, id=4891, vol=1.210000e+06
    or (resid   68 and name  HD1) (resid   17 and name HG21)
    or (resid   68 and name  HD1) (resid   17 and name HG23)
    or (resid   68 and name  HD1) (resid   17 and name HG12)
    or (resid   68 and name  HD1) (resid   17 and name HG11)
    or (resid   68 and name  HD1) (resid   17 and name HG13)
    or (resid   68 and name  HD2) (resid   17 and name HG22)
    or (resid   68 and name  HD2) (resid   17 and name HG21)
    or (resid   68 and name  HD2) (resid   17 and name HG23)
    or (resid   68 and name  HD2) (resid   17 and name HG12)
    or (resid   68 and name  HD2) (resid   17 and name HG11)
    or (resid   68 and name  HD2) (resid   17 and name HG13)
assign (resid 68 and name HD1) (resid 62 and name HG) 3.403 1.448 2.948 weight 1.000 ! spec=HCH_ar, no=145, id=4893, vol=5.130000e+05
    or (resid   68 and name  HD2) (resid   62 and name   HG)
assign (resid 68 and name HD1) (resid 62 and name HB1) 3.734 1.743 3.243 weight 1.000 ! spec=HCH_ar, no=147, id=4895, vol=2.940000e+05
    or (resid   68 and name  HD2) (resid   62 and name  HB1)
assign (resid 21 and name HN) (resid 24 and name HD1) 3.290 1.353 2.853 weight 1.000 ! spec=HCH_ar, no=149, id=4897, vol=6.290000e+05
    or (resid   21 and name   HN) (resid   24 and name  HD2)
assign (resid 24 and name HD1) (resid 21 and name HD2) 3.807 1.811 3.311 weight 1.000 ! spec=HCH_ar, no=151, id=4899, vol=2.620000e+05
    or (resid   24 and name  HD2) (resid   21 and name  HD2)
assign (resid 24 and name HD1) (resid 21 and name HA) 3.584 1.606 3.106 weight 1.000 ! spec=HCH_ar, no=152, id=4900, vol=3.760000e+05
    or (resid   24 and name  HD2) (resid   21 and name   HA)
assign (resid 76 and name HB2) (resid 24 and name HD1) 3.336 1.391 2.891 weight 1.000 ! spec=HCH_ar, no=155, id=4903, vol=5.780000e+05
    or (resid   76 and name  HB2) (resid   24 and name  HD2)
    or (resid   76 and name  HB1) (resid   24 and name  HD1)
    or (resid   76 and name  HB1) (resid   24 and name  HD2)
assign (resid 24 and name HD1) (resid 20 and name HB2) 3.420 1.462 2.962 weight 1.000 ! spec=HCH_ar, no=157, id=4905, vol=4.980000e+05
    or (resid   24 and name  HD1) (resid   20 and name  HB1)
    or (resid   24 and name  HD1) (resid   20 and name  HB3)
    or (resid   24 and name  HD2) (resid   20 and name  HB2)
    or (resid   24 and name  HD2) (resid   20 and name  HB1)
    or (resid   24 and name  HD2) (resid   20 and name  HB3)
assign (resid 62 and name HD22) (resid 24 and name HD1) 3.978 1.979 3.479 weight 1.000 ! spec=HCH_ar, no=160, id=4908, vol=2.010000e+05
    or (resid   62 and name HD22) (resid   24 and name  HD2)
    or (resid   62 and name HD21) (resid   24 and name  HD1)
    or (resid   62 and name HD21) (resid   24 and name  HD2)
    or (resid   62 and name HD23) (resid   24 and name  HD1)
    or (resid   62 and name HD23) (resid   24 and name  HD2)
assign (resid 6 and name HE1) (resid 22 and name HN) 3.364 1.415 2.915 weight 1.000 ! spec=HCH_ar, no=162, id=4910, vol=5.500000e+05
    or (resid    6 and name  HE2) (resid   22 and name   HN)
assign (resid 6 and name HB2) (resid 6 and name HE1) 3.132 1.226 2.726 weight 1.000 ! spec=HCH_ar, no=173, id=4918, vol=8.440000e+05
    or (resid    6 and name  HB2) (resid    6 and name  HE2)
assign (resid 22 and name HG1) (resid 6 and name HE1) 2.813 0.989 2.489 weight 1.000 ! spec=HCH_ar, no=175, id=4919, vol=1.610000e+06
    or (resid   22 and name  HG1) (resid    6 and name  HE2)
assign (resid 14 and name HE2) (resid 6 and name HE1) 2.624 0.861 2.361 weight 1.000 ! spec=HCH_ar, no=179, id=4923, vol=2.440000e+06
    or (resid   14 and name  HE2) (resid    6 and name  HE2)
    or (resid   14 and name  HE1) (resid    6 and name  HE1)
    or (resid   14 and name  HE1) (resid    6 and name  HE2)
    or (resid   14 and name  HE3) (resid    6 and name  HE1)
    or (resid   14 and name  HE3) (resid    6 and name  HE2)
assign (resid 7 and name HN) (resid 6 and name HD1) 2.840 1.008 2.508 weight 1.000 ! spec=HCH_ar, no=182, id=4925, vol=1.520000e+06
    or (resid    7 and name   HN) (resid    6 and name  HD2)
assign (resid 6 and name HD1) (resid 3 and name HN) 3.565 1.589 3.089 weight 1.000 ! spec=HCH_ar, no=183, id=4926, vol=3.880000e+05
    or (resid    6 and name  HD2) (resid    3 and name   HN)
assign (resid 6 and name HN) (resid 6 and name HD1) 2.021 0.511 2.011 weight 1.000 ! spec=HCH_ar, no=187, id=4930, vol=1.170000e+07
    or (resid    6 and name   HN) (resid    6 and name  HD2)
assign (resid 6 and name HD1) (resid 6 and name HA) 2.376 0.706 2.206 weight 1.000 ! spec=HCH_ar, no=190, id=4932, vol=4.430000e+06
    or (resid    6 and name  HD2) (resid    6 and name   HA)
assign (resid 84 and name HB2) (resid 84 and name HD1) 2.068 0.534 2.034 weight 1.000 ! spec=HCH_ar, no=192, id=4934, vol=1.020000e+07
    or (resid   84 and name  HB2) (resid   84 and name  HD2)
assign (resid 84 and name HB1) (resid 84 and name HD1) 2.197 0.603 2.103 weight 1.000 ! spec=HCH_ar, no=193, id=4935, vol=7.090000e+06
    or (resid   84 and name  HB1) (resid   84 and name  HD2)
assign (resid 76 and name HE1) (resid 59 and name HE1) 3.011 1.133 2.633 weight 1.000 ! spec=HCH_ar, no=200, id=4939, vol=1.070000e+06
    or (resid   76 and name  HE1) (resid   59 and name  HE2)
assign (resid 59 and name HA) (resid 59 and name HE1) 3.249 1.319 2.819 weight 1.000 ! spec=HCH_ar, no=213, id=4946, vol=6.780000e+05
    or (resid   59 and name   HA) (resid   59 and name  HE2)
assign (resid 59 and name HB2) (resid 59 and name HE1) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_ar, no=214, id=4947, vol=9.340000e+05
    or (resid   59 and name  HB2) (resid   59 and name  HE2)
assign (resid 59 and name HB1) (resid 59 and name HE1) 3.069 1.177 2.677 weight 1.000 ! spec=HCH_ar, no=215, id=4948, vol=9.540000e+05
    or (resid   59 and name  HB1) (resid   59 and name  HE2)
assign (resid 59 and name HE1) (resid 60 and name HG21) 3.893 1.894 3.394 weight 1.000 ! spec=HCH_ar, no=220, id=4953, vol=2.290000e+05
    or (resid   59 and name  HE1) (resid   60 and name HG22)
    or (resid   59 and name  HE1) (resid   60 and name HG23)
    or (resid   59 and name  HE2) (resid   60 and name HG21)
    or (resid   59 and name  HE2) (resid   60 and name HG22)
    or (resid   59 and name  HE2) (resid   60 and name HG23)
assign (resid 59 and name HE1) (resid 62 and name HD22) 3.407 1.451 2.951 weight 1.000 ! spec=HCH_ar, no=222, id=4955, vol=5.100000e+05
    or (resid   59 and name  HE1) (resid   62 and name HD21)
    or (resid   59 and name  HE1) (resid   62 and name HD23)
    or (resid   59 and name  HE2) (resid   62 and name HD22)
    or (resid   59 and name  HE2) (resid   62 and name HD21)
    or (resid   59 and name  HE2) (resid   62 and name HD23)
assign (resid 59 and name HN) (resid 59 and name HD1) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_ar, no=224, id=4956, vol=1.240000e+06
    or (resid   59 and name   HN) (resid   59 and name  HD2)
assign (resid 60 and name HN) (resid 59 and name HD1) 3.006 1.130 2.63 weight 1.000 ! spec=HCH_ar, no=225, id=4957, vol=1.080000e+06
    or (resid   60 and name   HN) (resid   59 and name  HD2)
assign (resid 56 and name HA) (resid 59 and name HD1) 3.126 1.222 2.722 weight 1.000 ! spec=HCH_ar, no=231, id=4960, vol=8.540000e+05
    or (resid   56 and name   HA) (resid   59 and name  HD2)
assign (resid 59 and name HD1) (resid 60 and name HA) 3.146 1.237 2.737 weight 1.000 ! spec=HCH_ar, no=232, id=4961, vol=8.220000e+05
    or (resid   59 and name  HD2) (resid   60 and name   HA)
assign (resid 59 and name HB2) (resid 59 and name HD1) 2.374 0.705 2.205 weight 1.000 ! spec=HCH_ar, no=234, id=4963, vol=4.450000e+06
    or (resid   59 and name  HB2) (resid   59 and name  HD2)
assign (resid 59 and name HB1) (resid 59 and name HD1) 2.434 0.741 2.241 weight 1.000 ! spec=HCH_ar, no=235, id=4964, vol=3.830000e+06
    or (resid   59 and name  HB1) (resid   59 and name  HD2)
assign (resid 82 and name HE1) (resid 84 and name HA) 3.310 1.370 2.87 weight 1.000 ! spec=HCH_ar, no=250, id=4975, vol=6.060000e+05
    or (resid   82 and name  HE2) (resid   84 and name   HA)
assign (resid 84 and name HE1) (resid 79 and name HG2) 3.456 1.493 2.993 weight 1.000 ! spec=HCH_ar, no=256, id=4978, vol=4.680000e+05
    or (resid   84 and name  HE2) (resid   79 and name  HG2)
assign (resid 82 and name HD1) (resid 82 and name HA) 2.442 0.745 2.245 weight 1.000 ! spec=HCH_ar, no=258, id=4980, vol=3.760000e+06
    or (resid   82 and name  HD2) (resid   82 and name   HA)
assign (resid 82 and name HD1) (resid 83 and name HD2) 2.708 0.917 2.417 weight 1.000 ! spec=HCH_ar, no=260, id=4982, vol=2.020000e+06
    or (resid   82 and name  HD1) (resid   83 and name  HD1)
    or (resid   82 and name  HD2) (resid   83 and name  HD2)
    or (resid   82 and name  HD2) (resid   83 and name  HD1)
assign (resid 82 and name HB2) (resid 82 and name HD1) 2.203 0.606 2.106 weight 1.000 ! spec=HCH_ar, no=261, id=4983, vol=6.980000e+06
    or (resid   82 and name  HB2) (resid   82 and name  HD2)
assign (resid 82 and name HB1) (resid 82 and name HD1) 2.246 0.631 2.131 weight 1.000 ! spec=HCH_ar, no=262, id=4984, vol=6.210000e+06
    or (resid   82 and name  HB1) (resid   82 and name  HD2)
assign (resid 21 and name HN) (resid 21 and name HD2) 3.339 1.394 2.894 weight 1.000 ! spec=HCH_ar, no=268, id=4988, vol=5.750000e+05
assign (resid 22 and name HN) (resid 21 and name HD2) 3.581 1.603 3.103 weight 1.000 ! spec=HCH_ar, no=269, id=4989, vol=3.780000e+05
assign (resid 21 and name HD2) (resid 68 and name HZ) 3.059 1.170 2.67 weight 1.000 ! spec=HCH_ar, no=270, id=4990, vol=9.730000e+05
assign (resid 68 and name HE1) (resid 21 and name HD2) 3.068 1.177 2.677 weight 1.000 ! spec=HCH_ar, no=272, id=4992, vol=9.550000e+05
    or (resid   68 and name  HE2) (resid   21 and name  HD2)
assign (resid 21 and name HD2) (resid 25 and name HB2) 3.829 1.832 3.332 weight 1.000 ! spec=HCH_ar, no=280, id=4999, vol=2.530000e+05
    or (resid   21 and name  HD2) (resid   25 and name  HB1)
assign (resid 21 and name HD2) (resid 79 and name HB2) 3.486 1.519 3.019 weight 1.000 ! spec=HCH_ar, no=281, id=5000, vol=4.440000e+05
assign (resid 95 and name HD2) (resid 95 and name HA) 3.469 1.505 3.005 weight 1.000 ! spec=HCH_ar, no=301, id=5013, vol=4.570000e+05
assign (resid 95 and name HD2) (resid 66 and name HA1) 3.622 1.640 3.14 weight 1.000 ! spec=HCH_ar, no=303, id=5015, vol=3.530000e+05
assign (resid 95 and name HD2) (resid 94 and name HB2) 3.417 1.459 2.959 weight 1.000 ! spec=HCH_ar, no=306, id=5017, vol=5.010000e+05
    or (resid   95 and name  HD2) (resid   94 and name  HB1)
assign (resid 95 and name HE1) (resid 66 and name HA1) 3.429 1.470 2.97 weight 1.000 ! spec=HCH_ar, no=321, id=5024, vol=4.900000e+05
assign (resid 18 and name HN) (resid 58 and name HE1) 3.899 1.900 3.4 weight 1.000 ! spec=HCH_ar, no=331, id=5029, vol=2.270000e+05
    or (resid   18 and name   HN) (resid   58 and name  HE2)
assign (resid 27 and name HD2) (resid 27 and name HA) 3.208 1.287 2.787 weight 1.000 ! spec=HCH_ar, no=336, id=5032, vol=7.310000e+05
assign (resid 27 and name HD2) (resid 23 and name HA) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_ar, no=337, id=5033, vol=5.220000e+05
assign (resid 27 and name HD2) (resid 24 and name HB2) 3.066 1.175 2.675 weight 1.000 ! spec=HCH_ar, no=339, id=5035, vol=9.600000e+05
assign (resid 27 and name HD2) (resid 23 and name HB1) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_ar, no=343, id=5039, vol=1.040000e+06
assign (resid 33 and name HN) (resid 76 and name HD1) 2.785 0.969 2.469 weight 1.000 ! spec=HCH_ar, no=346, id=5042, vol=1.710000e+06
assign (resid 34 and name HN) (resid 76 and name HD1) 3.893 1.894 3.394 weight 1.000 ! spec=HCH_ar, no=347, id=5043, vol=2.290000e+05
assign (resid 76 and name HD1) (resid 31 and name HN) 3.928 1.929 3.429 weight 1.000 ! spec=HCH_ar, no=348, id=5044, vol=2.170000e+05
assign (resid 76 and name HN) (resid 76 and name HD1) 2.950 1.088 2.588 weight 1.000 ! spec=HCH_ar, no=349, id=5045, vol=1.210000e+06
assign (resid 76 and name HD1) (resid 74 and name HN) 3.842 1.845 3.345 weight 1.000 ! spec=HCH_ar, no=350, id=5046, vol=2.480000e+05
assign (resid 76 and name HD1) (resid 32 and name HA) 3.090 1.194 2.694 weight 1.000 ! spec=HCH_ar, no=353, id=5048, vol=9.150000e+05
assign (resid 76 and name HD1) (resid 75 and name HA) 3.237 1.310 2.81 weight 1.000 ! spec=HCH_ar, no=354, id=5049, vol=6.930000e+05
assign (resid 33 and name HB2) (resid 76 and name HD1) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_ar, no=356, id=5051, vol=1.940000e+06
assign (resid 76 and name HD1) (resid 36 and name HB1) 3.776 1.782 3.282 weight 1.000 ! spec=HCH_ar, no=362, id=5057, vol=2.750000e+05
assign (resid 76 and name HD1) (resid 36 and name HD22) 3.300 1.361 2.861 weight 1.000 ! spec=HCH_ar, no=364, id=5059, vol=6.170000e+05
    or (resid   76 and name  HD1) (resid   36 and name HD21)
    or (resid   76 and name  HD1) (resid   36 and name HD23)
    or (resid   76 and name  HD1) (resid   36 and name HD12)
    or (resid   76 and name  HD1) (resid   36 and name HD11)
    or (resid   76 and name  HD1) (resid   36 and name HD13)
assign (resid 76 and name HD1) (resid 70 and name HB2) 3.549 1.574 3.074 weight 1.000 ! spec=HCH_ar, no=365, id=5060, vol=3.990000e+05
    or (resid   76 and name  HD1) (resid   70 and name  HB1)
    or (resid   76 and name  HD1) (resid   70 and name  HB3)
assign (resid 76 and name HD1) (resid 62 and name HD22) 3.331 1.387 2.887 weight 1.000 ! spec=HCH_ar, no=366, id=5061, vol=5.830000e+05
    or (resid   76 and name  HD1) (resid   62 and name HD21)
    or (resid   76 and name  HD1) (resid   62 and name HD23)
assign (resid 76 and name HZ2) (resid 59 and name HD1) 3.592 1.613 3.113 weight 1.000 ! spec=HCH_ar, no=370, id=5064, vol=3.710000e+05
    or (resid   76 and name  HZ2) (resid   59 and name  HD2)
assign (resid 76 and name HZ2) (resid 63 and name HA) 3.336 1.391 2.891 weight 1.000 ! spec=HCH_ar, no=372, id=5065, vol=5.780000e+05
assign (resid 76 and name HZ2) (resid 76 and name HB2) 3.756 1.763 3.263 weight 1.000 ! spec=HCH_ar, no=373, id=5066, vol=2.840000e+05
    or (resid   76 and name  HZ2) (resid   76 and name  HB1)
assign (resid 76 and name HZ2) (resid 62 and name HB2) 3.583 1.604 3.104 weight 1.000 ! spec=HCH_ar, no=374, id=5067, vol=3.770000e+05
assign (resid 76 and name HZ2) (resid 62 and name HB1) 3.579 1.601 3.101 weight 1.000 ! spec=HCH_ar, no=376, id=5069, vol=3.790000e+05
assign (resid 76 and name HH2) (resid 76 and name HE1) 3.659 1.674 3.174 weight 1.000 ! spec=HCH_ar, no=378, id=5071, vol=3.320000e+05
assign (resid 76 and name HH2) (resid 70 and name HN) 3.871 1.873 3.373 weight 1.000 ! spec=HCH_ar, no=379, id=5072, vol=2.370000e+05
assign (resid 76 and name HH2) (resid 76 and name HE3) 3.321 1.379 2.879 weight 1.000 ! spec=HCH_ar, no=380, id=5073, vol=5.940000e+05
assign (resid 76 and name HH2) (resid 63 and name HA) 2.798 0.979 2.479 weight 1.000 ! spec=HCH_ar, no=383, id=5074, vol=1.660000e+06
assign (resid 76 and name HH2) (resid 63 and name HB2) 3.728 1.737 3.237 weight 1.000 ! spec=HCH_ar, no=385, id=5076, vol=2.970000e+05
assign (resid 76 and name HH2) (resid 62 and name HB2) 3.663 1.677 3.177 weight 1.000 ! spec=HCH_ar, no=387, id=5078, vol=3.300000e+05
assign (resid 76 and name HH2) (resid 70 and name HB2) 2.971 1.103 2.603 weight 1.000 ! spec=HCH_ar, no=388, id=5079, vol=1.160000e+06
    or (resid   76 and name  HH2) (resid   70 and name  HB1)
    or (resid   76 and name  HH2) (resid   70 and name  HB3)
assign (resid 76 and name HH2) (resid 62 and name HB1) 3.536 1.563 3.063 weight 1.000 ! spec=HCH_ar, no=389, id=5080, vol=4.080000e+05
assign (resid 76 and name HH2) (resid 62 and name HD22) 3.475 1.509 3.009 weight 1.000 ! spec=HCH_ar, no=390, id=5081, vol=4.530000e+05
    or (resid   76 and name  HH2) (resid   62 and name HD21)
    or (resid   76 and name  HH2) (resid   62 and name HD23)
assign (resid 81 and name HD1) (resid 81 and name HA) 2.330 0.679 2.179 weight 1.000 ! spec=HCH_ar, no=395, id=5084, vol=4.980000e+06
assign (resid 81 and name HB1) (resid 81 and name HD1) 3.178 1.263 2.763 weight 1.000 ! spec=HCH_ar, no=398, id=5087, vol=7.730000e+05
assign (resid 81 and name HZ2) (resid 81 and name HZ3) 3.469 1.505 3.005 weight 1.000 ! spec=HCH_ar, no=406, id=5093, vol=4.570000e+05
assign (resid 81 and name HZ2) (resid 24 and name HA) 3.277 1.342 2.842 weight 1.000 ! spec=HCH_ar, no=407, id=5094, vol=6.440000e+05
assign (resid 81 and name HZ2) (resid 78 and name HN) 3.663 1.677 3.177 weight 1.000 ! spec=HCH_ar, no=409, id=5096, vol=3.300000e+05
assign (resid 81 and name HZ2) (resid 28 and name HA) 2.684 0.901 2.401 weight 1.000 ! spec=HCH_ar, no=410, id=5097, vol=2.130000e+06
assign (resid 24 and name HB2) (resid 81 and name HZ2) 2.893 1.046 2.546 weight 1.000 ! spec=HCH_ar, no=411, id=5098, vol=1.360000e+06
assign (resid 81 and name HZ2) (resid 28 and name HB2) 3.756 1.763 3.263 weight 1.000 ! spec=HCH_ar, no=413, id=5100, vol=2.840000e+05
assign (resid 78 and name HD12) (resid 81 and name HZ2) 2.787 0.971 2.471 weight 1.000 ! spec=HCH_ar, no=417, id=5104, vol=1.700000e+06
    or (resid   78 and name HD11) (resid   81 and name  HZ2)
    or (resid   78 and name HD13) (resid   81 and name  HZ2)
assign (resid 81 and name HZ2) (resid 78 and name HD22) 3.485 1.518 3.018 weight 1.000 ! spec=HCH_ar, no=418, id=5105, vol=4.450000e+05
    or (resid   81 and name  HZ2) (resid   78 and name HD21)
    or (resid   81 and name  HZ2) (resid   78 and name HD23)
assign (resid 81 and name HE1) (resid 81 and name HH2) 4.023 2.023 3.523 weight 1.000 ! spec=HCH_ar, no=420, id=5107, vol=1.880000e+05
assign (resid 28 and name HN) (resid 81 and name HH2) 3.600 1.620 3.12 weight 1.000 ! spec=HCH_ar, no=421, id=5108, vol=3.660000e+05
assign (resid 81 and name HH2) (resid 81 and name HZ3) 2.654 0.881 2.381 weight 1.000 ! spec=HCH_ar, no=422, id=5109, vol=2.280000e+06
assign (resid 81 and name HH2) (resid 24 and name HA) 3.227 1.302 2.802 weight 1.000 ! spec=HCH_ar, no=424, id=5110, vol=7.060000e+05
assign (resid 81 and name HH2) (resid 31 and name HG22) 3.709 1.720 3.22 weight 1.000 ! spec=HCH_ar, no=428, id=5114, vol=3.060000e+05
    or (resid   81 and name  HH2) (resid   31 and name HG21)
    or (resid   81 and name  HH2) (resid   31 and name HG23)
assign (resid 78 and name HD12) (resid 81 and name HH2) 3.419 1.461 2.961 weight 1.000 ! spec=HCH_ar, no=430, id=5116, vol=4.990000e+05
    or (resid   78 and name HD11) (resid   81 and name  HH2)
    or (resid   78 and name HD13) (resid   81 and name  HH2)
assign (resid 78 and name HG) (resid 81 and name HH2) 3.543 1.569 3.069 weight 1.000 ! spec=HCH_ar, no=431, id=5117, vol=4.030000e+05
assign (resid 68 and name HE1) (resid 69 and name HN) 3.765 1.772 3.272 weight 1.000 ! spec=HCH_ar, no=435, id=5119, vol=2.800000e+05
    or (resid   68 and name  HE2) (resid   69 and name   HN)
assign (resid 68 and name HE1) (resid 17 and name HB) 3.152 1.242 2.742 weight 1.000 ! spec=HCH_ar, no=438, id=5121, vol=8.120000e+05
    or (resid   68 and name  HE2) (resid   17 and name   HB)
assign (resid 84 and name HD1) (resid 84 and name HA) 2.376 0.706 2.206 weight 1.000 ! spec=HCH_ar, no=451, id=5126, vol=4.430000e+06
    or (resid   84 and name  HD2) (resid   84 and name   HA)
assign (resid 59 and name HE1) (resid 33 and name HB1) 3.769 1.776 3.276 weight 1.000 ! spec=HCH_ar, no=453, id=5128, vol=2.780000e+05
    or (resid   59 and name  HE2) (resid   33 and name  HB1)
assign (resid 59 and name HE1) (resid 34 and name HN) 3.887 1.889 3.389 weight 1.000 ! spec=HCH_ar, no=454, id=5129, vol=2.310000e+05
    or (resid   59 and name  HE2) (resid   34 and name   HN)
assign (resid 76 and name HE1) (resid 59 and name HD1) 3.471 1.506 3.006 weight 1.000 ! spec=HCH_ar, no=455, id=5130, vol=4.560000e+05
    or (resid   76 and name  HE1) (resid   59 and name  HD2)
assign (resid 95 and name HD2) (resid 94 and name HG1) 3.553 1.578 3.078 weight 1.000 ! spec=HCH_ar, no=461, id=5135, vol=3.960000e+05
assign (resid 95 and name HD2) (resid 67 and name HG1) 3.962 1.962 3.462 weight 1.000 ! spec=HCH_ar, no=463, id=5137, vol=2.060000e+05
assign (resid 76 and name HZ2) (resid 33 and name HB2) 3.834 1.837 3.337 weight 1.000 ! spec=HCH_ar, no=467, id=5138, vol=2.510000e+05
assign (resid 76 and name HH2) (resid 59 and name HD1) 3.728 1.737 3.237 weight 1.000 ! spec=HCH_ar, no=468, id=5139, vol=2.970000e+05
    or (resid   76 and name  HH2) (resid   59 and name  HD2)
assign (resid 24 and name HB2) (resid 81 and name HH2) 2.975 1.106 2.606 weight 1.000 ! spec=HCH_ar, no=472, id=5143, vol=1.150000e+06
assign (resid 81 and name HE3) (resid 81 and name HZ3) 2.753 0.948 2.448 weight 1.000 ! spec=HCH_ar, no=479, id=5148, vol=1.830000e+06
assign (resid 81 and name HE3) (resid 30 and name HA) 3.988 1.988 3.488 weight 1.000 ! spec=HCH_ar, no=480, id=5149, vol=1.980000e+05
assign (resid 81 and name HE3) (resid 77 and name HA1) 3.707 1.718 3.218 weight 1.000 ! spec=HCH_ar, no=482, id=5151, vol=3.070000e+05
assign (resid 81 and name HE3) (resid 77 and name HA2) 3.804 1.809 3.309 weight 1.000 ! spec=HCH_ar, no=483, id=5152, vol=2.630000e+05
assign (resid 81 and name HE3) (resid 81 and name HB2) 3.734 1.743 3.243 weight 1.000 ! spec=HCH_ar, no=484, id=5153, vol=2.940000e+05
assign (resid 77 and name HN) (resid 76 and name HE3) 3.040 1.155 2.655 weight 1.000 ! spec=HCH_ar, no=488, id=5156, vol=1.010000e+06
assign (resid 76 and name HE3) (resid 70 and name HN) 3.489 1.521 3.021 weight 1.000 ! spec=HCH_ar, no=489, id=5157, vol=4.420000e+05
assign (resid 76 and name HE3) (resid 76 and name HZ3) 2.595 0.842 2.342 weight 1.000 ! spec=HCH_ar, no=491, id=5158, vol=2.610000e+06
assign (resid 81 and name HZ3) (resid 78 and name HN) 3.922 1.923 3.423 weight 1.000 ! spec=HCH_ar, no=503, id=5166, vol=2.190000e+05
assign (resid 81 and name HZ3) (resid 77 and name HA2) 3.689 1.702 3.202 weight 1.000 ! spec=HCH_ar, no=504, id=5167, vol=3.160000e+05
assign (resid 33 and name HZ) (resid 62 and name HN) 3.999 1.999 3.499 weight 1.000 ! spec=HCH_ar, no=511, id=5174, vol=1.950000e+05
assign (resid 33 and name HZ) (resid 33 and name HE1) 2.284 0.652 2.152 weight 1.000 ! spec=HCH_ar, no=514, id=5176, vol=5.610000e+06
    or (resid   33 and name   HZ) (resid   33 and name  HE2)
assign (resid 59 and name HD1) (resid 33 and name HZ) 3.382 1.429 2.929 weight 1.000 ! spec=HCH_ar, no=515, id=5177, vol=5.330000e+05
    or (resid   59 and name  HD2) (resid   33 and name   HZ)
assign (resid 33 and name HZ) (resid 55 and name HA) 3.315 1.373 2.873 weight 1.000 ! spec=HCH_ar, no=518, id=5179, vol=6.010000e+05
assign (resid 33 and name HZ) (resid 37 and name HD22) 2.758 0.951 2.451 weight 1.000 ! spec=HCH_ar, no=525, id=5185, vol=1.810000e+06
    or (resid   33 and name   HZ) (resid   37 and name HD21)
    or (resid   33 and name   HZ) (resid   37 and name HD23)
    or (resid   33 and name   HZ) (resid   37 and name HD12)
    or (resid   33 and name   HZ) (resid   37 and name HD11)
    or (resid   33 and name   HZ) (resid   37 and name HD13)
assign (resid 33 and name HZ) (resid 62 and name HD22) 3.369 1.419 2.919 weight 1.000 ! spec=HCH_ar, no=526, id=5186, vol=5.450000e+05
    or (resid   33 and name   HZ) (resid   62 and name HD21)
    or (resid   33 and name   HZ) (resid   62 and name HD23)
assign (resid 68 and name HB1) (resid 76 and name HZ3) 3.108 1.208 2.708 weight 1.000 ! spec=HCH_ar, no=536, id=5195, vol=8.840000e+05
assign (resid 76 and name HZ3) (resid 62 and name HB2) 3.743 1.751 3.251 weight 1.000 ! spec=HCH_ar, no=538, id=5197, vol=2.900000e+05
assign (resid 76 and name HZ3) (resid 70 and name HB2) 3.115 1.213 2.713 weight 1.000 ! spec=HCH_ar, no=539, id=5198, vol=8.730000e+05
    or (resid   76 and name  HZ3) (resid   70 and name  HB1)
    or (resid   76 and name  HZ3) (resid   70 and name  HB3)
assign (resid 76 and name HZ3) (resid 62 and name HB1) 3.486 1.519 3.019 weight 1.000 ! spec=HCH_ar, no=540, id=5199, vol=4.440000e+05
assign (resid 62 and name HD22) (resid 76 and name HZ3) 3.413 1.456 2.956 weight 1.000 ! spec=HCH_ar, no=541, id=5200, vol=5.040000e+05
    or (resid   62 and name HD21) (resid   76 and name  HZ3)
    or (resid   62 and name HD23) (resid   76 and name  HZ3)
assign (resid 21 and name HE1) (resid 21 and name HD2) 3.612 1.631 3.131 weight 1.000 ! spec=HCH_ar, no=544, id=5201, vol=3.590000e+05
assign (resid 21 and name HE1) (resid 95 and name HA) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_ar, no=545, id=5202, vol=1.240000e+06
assign (resid 21 and name HE1) (resid 21 and name HB2) 3.890 1.892 3.392 weight 1.000 ! spec=HCH_ar, no=548, id=5205, vol=2.300000e+05
assign (resid 21 and name HE1) (resid 92 and name HG2) 3.006 1.130 2.63 weight 1.000 ! spec=HCH_ar, no=550, id=5207, vol=1.080000e+06
    or (resid   21 and name  HE1) (resid   92 and name  HG1)
assign (resid 21 and name HE1) (resid 92 and name HB2) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_ar, no=551, id=5208, vol=9.990000e+05
assign (resid 78 and name HD12) (resid 21 and name HE1) 3.291 1.354 2.854 weight 1.000 ! spec=HCH_ar, no=553, id=5210, vol=6.270000e+05
    or (resid   78 and name HD11) (resid   21 and name  HE1)
    or (resid   78 and name HD13) (resid   21 and name  HE1)
assign (resid 21 and name HE1) (resid 78 and name HD22) 3.978 1.979 3.479 weight 1.000 ! spec=HCH_ar, no=554, id=5211, vol=2.010000e+05
    or (resid   21 and name  HE1) (resid   78 and name HD21)
    or (resid   21 and name  HE1) (resid   78 and name HD23)
assign (resid 27 and name HE1) (resid 23 and name HA) 3.937 1.938 3.438 weight 1.000 ! spec=HCH_ar, no=556, id=5213, vol=2.140000e+05
assign (resid 27 and name HE1) (resid 27 and name HB1) 3.829 1.832 3.332 weight 1.000 ! spec=HCH_ar, no=557, id=5214, vol=2.530000e+05
assign (resid 27 and name HE1) (resid 27 and name HD2) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_ar, no=570, id=5222, vol=4.040000e+05
assign (resid 27 and name HE1) (resid 29 and name HD2) 3.674 1.687 3.187 weight 1.000 ! spec=HCH_ar, no=571, id=5223, vol=3.240000e+05
    or (resid   27 and name  HE1) (resid   29 and name  HD1)
assign (resid 33 and name HD1) (resid 33 and name HE1) 2.137 0.571 2.071 weight 1.000 ! spec=HCH_ar, no=578, id=5228, vol=8.380000e+06
    or (resid   33 and name  HD1) (resid   33 and name  HE2)
    or (resid   33 and name  HD2) (resid   33 and name  HE1)
    or (resid   33 and name  HD2) (resid   33 and name  HE2)
assign (resid 62 and name HN) (resid 59 and name HD1) 3.487 1.520 3.02 weight 1.000 ! spec=HCH_ar, no=594, id=5240, vol=4.430000e+05
    or (resid   62 and name   HN) (resid   59 and name  HD2)
assign (resid 33 and name HN) (resid 76 and name HE1) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=1, id=0, vol=1.200000e+06
assign (resid 33 and name HN) (resid 76 and name HN) 3.700 1.711 3.211 weight 1.000 ! spec=HNH, no=4, id=2, vol=5.690000e+05
assign (resid 33 and name HN) (resid 35 and name HN) 3.608 1.627 3.127 weight 1.000 ! spec=HNH, no=6, id=4, vol=6.620000e+05
assign (resid 33 and name HN) (resid 33 and name HD1) 3.300 1.361 2.861 weight 1.000 ! spec=HNH, no=7, id=5, vol=1.130000e+06
    or (resid   33 and name   HN) (resid   33 and name  HD2)
assign (resid 33 and name HN) (resid 32 and name HA) 2.538 0.805 2.305 weight 1.000 ! spec=HNH, no=9, id=7, vol=5.460000e+06
assign (resid 33 and name HN) (resid 75 and name HA) 3.216 1.293 2.793 weight 1.000 ! spec=HNH, no=10, id=8, vol=1.320000e+06
assign (resid 33 and name HN) (resid 74 and name HA) 3.775 1.782 3.282 weight 1.000 ! spec=HNH, no=12, id=10, vol=5.040000e+05
assign (resid 33 and name HN) (resid 74 and name HB2) 3.805 1.810 3.31 weight 1.000 ! spec=HNH, no=20, id=18, vol=4.810000e+05
    or (resid   33 and name   HN) (resid   74 and name  HB1)
assign (resid 33 and name HN) (resid 74 and name HG2) 4.047 2.048 3.548 weight 1.000 ! spec=HNH, no=21, id=19, vol=3.320000e+05
    or (resid   33 and name   HN) (resid   74 and name  HG1)
assign (resid 33 and name HN) (resid 32 and name HB1) 3.008 1.131 2.631 weight 1.000 ! spec=HNH, no=23, id=21, vol=1.970000e+06
assign (resid 33 and name HN) (resid 36 and name HD22) 3.937 1.937 3.437 weight 1.000 ! spec=HNH, no=24, id=22, vol=3.920000e+05
    or (resid   33 and name   HN) (resid   36 and name HD21)
    or (resid   33 and name   HN) (resid   36 and name HD23)
    or (resid   33 and name   HN) (resid   36 and name HD12)
    or (resid   33 and name   HN) (resid   36 and name HD11)
    or (resid   33 and name   HN) (resid   36 and name HD13)
assign (resid 76 and name HE1) (resid 76 and name HN) 4.224 2.230 3.73 weight 1.000 ! spec=HNH, no=29, id=24, vol=2.570000e+05
assign (resid 76 and name HE1) (resid 76 and name HD1) 2.358 0.695 2.195 weight 1.000 ! spec=HNH, no=30, id=25, vol=8.500000e+06
assign (resid 76 and name HE1) (resid 63 and name HD21) 3.396 1.442 2.942 weight 1.000 ! spec=HNH, no=31, id=26, vol=9.510000e+05
assign (resid 76 and name HE1) (resid 33 and name HD1) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=33, id=28, vol=1.700000e+06
    or (resid   76 and name  HE1) (resid   33 and name  HD2)
assign (resid 76 and name HE1) (resid 32 and name HA) 3.917 1.918 3.418 weight 1.000 ! spec=HNH, no=38, id=33, vol=4.040000e+05
assign (resid 76 and name HE1) (resid 74 and name HA) 3.964 1.965 3.465 weight 1.000 ! spec=HNH, no=41, id=36, vol=3.760000e+05
assign (resid 76 and name HE1) (resid 33 and name HB2) 2.804 0.983 2.483 weight 1.000 ! spec=HNH, no=42, id=37, vol=3.000000e+06
assign (resid 76 and name HE1) (resid 74 and name HB2) 3.927 1.928 3.428 weight 1.000 ! spec=HNH, no=45, id=39, vol=3.980000e+05
    or (resid   76 and name  HE1) (resid   74 and name  HB1)
assign (resid 76 and name HE1) (resid 75 and name HG21) 4.379 2.397 3.897 weight 1.000 ! spec=HNH, no=47, id=41, vol=2.070000e+05
    or (resid   76 and name  HE1) (resid   75 and name HG22)
    or (resid   76 and name  HE1) (resid   75 and name HG23)
assign (resid 76 and name HE1) (resid 36 and name HD22) 4.031 2.032 3.532 weight 1.000 ! spec=HNH, no=49, id=43, vol=3.400000e+05
    or (resid   76 and name  HE1) (resid   36 and name HD21)
    or (resid   76 and name  HE1) (resid   36 and name HD23)
    or (resid   76 and name  HE1) (resid   36 and name HD12)
    or (resid   76 and name  HE1) (resid   36 and name HD11)
    or (resid   76 and name  HE1) (resid   36 and name HD13)
assign (resid 76 and name HE1) (resid 62 and name HB2) 4.335 2.349 3.849 weight 1.000 ! spec=HNH, no=50, id=44, vol=2.200000e+05
assign (resid 76 and name HE1) (resid 62 and name HD22) 3.216 1.293 2.793 weight 1.000 ! spec=HNH, no=53, id=46, vol=1.320000e+06
    or (resid   76 and name  HE1) (resid   62 and name HD21)
    or (resid   76 and name  HE1) (resid   62 and name HD23)
assign (resid 8 and name HE21) (resid 8 and name HE22) 1.534 0.294 1.794 weight 1.000 ! spec=HNH, no=58, id=48, vol=1.120000e+08
assign (resid 8 and name HE21) (resid 8 and name HA) 3.220 1.296 2.796 weight 1.000 ! spec=HNH, no=62, id=52, vol=1.310000e+06
assign (resid 8 and name HE21) (resid 12 and name HE2) 3.934 1.934 3.434 weight 1.000 ! spec=HNH, no=63, id=53, vol=3.940000e+05
    or (resid    8 and name HE21) (resid   12 and name  HE1)
assign (resid 8 and name HE21) (resid 12 and name HB1) 3.999 1.999 3.499 weight 1.000 ! spec=HNH, no=66, id=56, vol=3.570000e+05
assign (resid 8 and name HE21) (resid 11 and name HG) 4.052 2.052 3.552 weight 1.000 ! spec=HNH, no=68, id=58, vol=3.300000e+05
assign (resid 8 and name HE21) (resid 44 and name HB1) 4.110 2.111 3.611 weight 1.000 ! spec=HNH, no=69, id=59, vol=3.030000e+05
assign (resid 8 and name HE22) (resid 43 and name HN) 3.780 1.786 3.286 weight 1.000 ! spec=HNH, no=72, id=61, vol=5.000000e+05
assign (resid 8 and name HE22) (resid 45 and name HN) 3.800 1.805 3.305 weight 1.000 ! spec=HNH, no=73, id=62, vol=4.850000e+05
assign (resid 8 and name HE22) (resid 8 and name HA) 3.181 1.264 2.764 weight 1.000 ! spec=HNH, no=88, id=73, vol=1.410000e+06
assign (resid 8 and name HE22) (resid 11 and name HG) 3.961 1.961 3.461 weight 1.000 ! spec=HNH, no=92, id=77, vol=3.780000e+05
assign (resid 8 and name HE22) (resid 11 and name HD12) 3.369 1.418 2.918 weight 1.000 ! spec=HNH, no=93, id=78, vol=9.990000e+05
    or (resid    8 and name HE22) (resid   11 and name HD11)
    or (resid    8 and name HE22) (resid   11 and name HD13)
assign (resid 8 and name HE22) (resid 44 and name HD22) 3.798 1.803 3.303 weight 1.000 ! spec=HNH, no=94, id=79, vol=4.860000e+05
    or (resid    8 and name HE22) (resid   44 and name HD21)
    or (resid    8 and name HE22) (resid   44 and name HD23)
    or (resid    8 and name HE22) (resid   44 and name HD12)
    or (resid    8 and name HE22) (resid   44 and name HD11)
    or (resid    8 and name HE22) (resid   44 and name HD13)
assign (resid 34 and name HE22) (resid 36 and name HN) 4.133 2.135 3.635 weight 1.000 ! spec=HNH, no=112, id=81, vol=2.930000e+05
assign (resid 34 and name HE22) (resid 35 and name HA) 3.051 1.163 2.663 weight 1.000 ! spec=HNH, no=131, id=92, vol=1.810000e+06
assign (resid 34 and name HE22) (resid 34 and name HA) 3.727 1.736 3.236 weight 1.000 ! spec=HNH, no=133, id=94, vol=5.450000e+05
assign (resid 34 and name HE22) (resid 38 and name HB1) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=135, id=96, vol=1.950000e+06
assign (resid 34 and name HE22) (resid 35 and name HG1) 3.832 1.836 3.336 weight 1.000 ! spec=HNH, no=136, id=97, vol=4.610000e+05
assign (resid 34 and name HE22) (resid 34 and name HB2) 3.325 1.382 2.882 weight 1.000 ! spec=HNH, no=137, id=98, vol=1.080000e+06
    or (resid   34 and name HE22) (resid   34 and name  HB1)
assign (resid 34 and name HE22) (resid 37 and name HB1) 4.043 2.044 3.544 weight 1.000 ! spec=HNH, no=141, id=102, vol=3.340000e+05
assign (resid 34 and name HE22) (resid 37 and name HD22) 3.111 1.210 2.71 weight 1.000 ! spec=HNH, no=142, id=103, vol=1.610000e+06
    or (resid   34 and name HE22) (resid   37 and name HD21)
    or (resid   34 and name HE22) (resid   37 and name HD23)
    or (resid   34 and name HE22) (resid   37 and name HD12)
    or (resid   34 and name HE22) (resid   37 and name HD11)
    or (resid   34 and name HE22) (resid   37 and name HD13)
assign (resid 52 and name HN) (resid 53 and name HN) 3.649 1.665 3.165 weight 1.000 ! spec=HNH, no=144, id=104, vol=6.180000e+05
assign (resid 52 and name HN) (resid 50 and name HN) 3.245 1.316 2.816 weight 1.000 ! spec=HNH, no=145, id=105, vol=1.250000e+06
assign (resid 52 and name HN) (resid 52 and name HA1) 2.380 0.708 2.208 weight 1.000 ! spec=HNH, no=150, id=108, vol=8.030000e+06
assign (resid 52 and name HN) (resid 52 and name HA2) 2.308 0.666 2.166 weight 1.000 ! spec=HNH, no=152, id=110, vol=9.650000e+06
assign (resid 52 and name HN) (resid 50 and name HG2) 3.433 1.473 2.973 weight 1.000 ! spec=HNH, no=154, id=112, vol=8.920000e+05
assign (resid 52 and name HN) (resid 55 and name HG12) 3.443 1.482 2.982 weight 1.000 ! spec=HNH, no=158, id=116, vol=8.760000e+05
assign (resid 52 and name HN) (resid 51 and name HB1) 3.177 1.262 2.762 weight 1.000 ! spec=HNH, no=161, id=119, vol=1.420000e+06
assign (resid 52 and name HN) (resid 51 and name HD22) 3.043 1.157 2.657 weight 1.000 ! spec=HNH, no=163, id=121, vol=1.840000e+06
    or (resid   52 and name   HN) (resid   51 and name HD21)
    or (resid   52 and name   HN) (resid   51 and name HD23)
    or (resid   52 and name   HN) (resid   51 and name HD12)
    or (resid   52 and name   HN) (resid   51 and name HD11)
    or (resid   52 and name   HN) (resid   51 and name HD13)
assign (resid 70 and name HN) (resid 69 and name HN) 3.446 1.485 2.985 weight 1.000 ! spec=HNH, no=164, id=122, vol=8.710000e+05
assign (resid 70 and name HN) (resid 76 and name HZ3) 3.325 1.382 2.882 weight 1.000 ! spec=HNH, no=168, id=124, vol=1.080000e+06
assign (resid 70 and name HN) (resid 76 and name HA) 3.961 1.961 3.461 weight 1.000 ! spec=HNH, no=169, id=125, vol=3.780000e+05
assign (resid 70 and name HN) (resid 69 and name HA) 2.304 0.663 2.163 weight 1.000 ! spec=HNH, no=171, id=126, vol=9.770000e+06
assign (resid 70 and name HN) (resid 70 and name HA) 2.958 1.094 2.594 weight 1.000 ! spec=HNH, no=172, id=127, vol=2.180000e+06
assign (resid 70 and name HN) (resid 69 and name HD22) 3.452 1.489 2.989 weight 1.000 ! spec=HNH, no=178, id=132, vol=8.630000e+05
    or (resid   70 and name   HN) (resid   69 and name HD21)
    or (resid   70 and name   HN) (resid   69 and name HD23)
assign (resid 45 and name HN) (resid 42 and name HA) 3.080 1.186 2.686 weight 1.000 ! spec=HNH, no=185, id=138, vol=1.710000e+06
assign (resid 45 and name HN) (resid 44 and name HA) 2.783 0.968 2.468 weight 1.000 ! spec=HNH, no=186, id=139, vol=3.140000e+06
assign (resid 45 and name HN) (resid 44 and name HB1) 3.245 1.316 2.816 weight 1.000 ! spec=HNH, no=190, id=143, vol=1.250000e+06
assign (resid 45 and name HN) (resid 41 and name HB2) 3.589 1.610 3.11 weight 1.000 ! spec=HNH, no=191, id=144, vol=6.830000e+05
    or (resid   45 and name   HN) (resid   41 and name  HB1)
    or (resid   45 and name   HN) (resid   41 and name  HB3)
assign (resid 27 and name HD2) (resid 29 and name HD2) 4.130 2.132 3.632 weight 1.000 ! spec=HNH, no=204, id=147, vol=2.940000e+05
    or (resid   27 and name  HD2) (resid   29 and name  HD1)
assign (resid 27 and name HD2) (resid 78 and name HB2) 4.287 2.298 3.798 weight 1.000 ! spec=HNH, no=207, id=150, vol=2.350000e+05
assign (resid 75 and name HN) (resid 33 and name HN) 4.404 2.425 3.925 weight 1.000 ! spec=HNH, no=217, id=151, vol=2.000000e+05
assign (resid 75 and name HN) (resid 74 and name HN) 2.592 0.840 2.34 weight 1.000 ! spec=HNH, no=219, id=153, vol=4.810000e+06
assign (resid 75 and name HN) (resid 32 and name HA) 3.587 1.609 3.109 weight 1.000 ! spec=HNH, no=222, id=155, vol=6.850000e+05
assign (resid 75 and name HN) (resid 75 and name HA) 3.089 1.193 2.693 weight 1.000 ! spec=HNH, no=224, id=157, vol=1.680000e+06
assign (resid 75 and name HN) (resid 73 and name HA) 3.773 1.779 3.279 weight 1.000 ! spec=HNH, no=225, id=158, vol=5.060000e+05
assign (resid 75 and name HN) (resid 33 and name HA) 4.300 2.311 3.811 weight 1.000 ! spec=HNH, no=226, id=159, vol=2.310000e+05
assign (resid 75 and name HN) (resid 74 and name HA) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=228, id=161, vol=2.890000e+06
assign (resid 75 and name HN) (resid 75 and name HB) 3.077 1.183 2.683 weight 1.000 ! spec=HNH, no=229, id=162, vol=1.720000e+06
assign (resid 75 and name HN) (resid 74 and name HB2) 3.310 1.369 2.869 weight 1.000 ! spec=HNH, no=230, id=163, vol=1.110000e+06
    or (resid   75 and name   HN) (resid   74 and name  HB1)
assign (resid 75 and name HN) (resid 74 and name HG2) 3.508 1.538 3.038 weight 1.000 ! spec=HNH, no=231, id=164, vol=7.830000e+05
    or (resid   75 and name   HN) (resid   74 and name  HG1)
assign (resid 75 and name HN) (resid 71 and name HB2) 3.463 1.499 2.999 weight 1.000 ! spec=HNH, no=232, id=165, vol=8.460000e+05
assign (resid 75 and name HN) (resid 71 and name HD12) 3.723 1.733 3.233 weight 1.000 ! spec=HNH, no=236, id=169, vol=5.480000e+05
    or (resid   75 and name   HN) (resid   71 and name HD11)
    or (resid   75 and name   HN) (resid   71 and name HD13)
assign (resid 74 and name HN) (resid 74 and name HE21) 3.759 1.767 3.267 weight 1.000 ! spec=HNH, no=241, id=173, vol=5.170000e+05
assign (resid 74 and name HN) (resid 73 and name HA) 2.899 1.050 2.55 weight 1.000 ! spec=HNH, no=249, id=179, vol=2.460000e+06
assign (resid 74 and name HN) (resid 74 and name HB2) 2.844 1.011 2.511 weight 1.000 ! spec=HNH, no=255, id=185, vol=2.760000e+06
    or (resid   74 and name   HN) (resid   74 and name  HB1)
assign (resid 74 and name HN) (resid 32 and name HG2) 4.379 2.397 3.897 weight 1.000 ! spec=HNH, no=257, id=187, vol=2.070000e+05
assign (resid 74 and name HN) (resid 70 and name HB2) 4.241 2.248 3.748 weight 1.000 ! spec=HNH, no=260, id=189, vol=2.510000e+05
    or (resid   74 and name   HN) (resid   70 and name  HB1)
    or (resid   74 and name   HN) (resid   70 and name  HB3)
assign (resid 80 and name HN) (resid 82 and name HN) 3.476 1.511 3.011 weight 1.000 ! spec=HNH, no=262, id=190, vol=8.270000e+05
assign (resid 80 and name HN) (resid 81 and name HA) 3.889 1.890 3.39 weight 1.000 ! spec=HNH, no=266, id=194, vol=4.220000e+05
assign (resid 80 and name HN) (resid 84 and name HB1) 4.322 2.335 3.835 weight 1.000 ! spec=HNH, no=275, id=202, vol=2.240000e+05
assign (resid 80 and name HN) (resid 78 and name HD22) 3.300 1.361 2.861 weight 1.000 ! spec=HNH, no=281, id=207, vol=1.130000e+06
    or (resid   80 and name   HN) (resid   78 and name HD21)
    or (resid   80 and name   HN) (resid   78 and name HD23)
assign (resid 80 and name HN) (resid 78 and name HB1) 3.118 1.215 2.715 weight 1.000 ! spec=HNH, no=282, id=208, vol=1.590000e+06
assign (resid 42 and name HN) (resid 40 and name HN) 3.263 1.331 2.831 weight 1.000 ! spec=HNH, no=284, id=210, vol=1.210000e+06
assign (resid 42 and name HN) (resid 42 and name HA) 2.401 0.721 2.221 weight 1.000 ! spec=HNH, no=291, id=216, vol=7.610000e+06
assign (resid 42 and name HN) (resid 40 and name HA) 3.605 1.624 3.124 weight 1.000 ! spec=HNH, no=295, id=220, vol=6.650000e+05
assign (resid 42 and name HN) (resid 43 and name HB2) 3.505 1.536 3.036 weight 1.000 ! spec=HNH, no=298, id=223, vol=7.870000e+05
assign (resid 42 and name HN) (resid 43 and name HD22) 3.581 1.603 3.103 weight 1.000 ! spec=HNH, no=302, id=227, vol=6.920000e+05
    or (resid   42 and name   HN) (resid   43 and name HD21)
    or (resid   42 and name   HN) (resid   43 and name HD23)
    or (resid   42 and name   HN) (resid   43 and name HD12)
    or (resid   42 and name   HN) (resid   43 and name HD11)
    or (resid   42 and name   HN) (resid   43 and name HD13)
assign (resid 45 and name HN) (resid 46 and name HN) 2.283 0.652 2.152 weight 1.000 ! spec=HNH, no=304, id=229, vol=1.030000e+07
assign (resid 8 and name HE21) (resid 46 and name HN) 4.133 2.135 3.635 weight 1.000 ! spec=HNH, no=309, id=232, vol=2.930000e+05
assign (resid 46 and name HN) (resid 46 and name HA) 2.636 0.869 2.369 weight 1.000 ! spec=HNH, no=311, id=234, vol=4.350000e+06
assign (resid 46 and name HN) (resid 44 and name HA) 3.362 1.413 2.913 weight 1.000 ! spec=HNH, no=314, id=236, vol=1.010000e+06
assign (resid 46 and name HN) (resid 45 and name HA1) 2.967 1.100 2.6 weight 1.000 ! spec=HNH, no=317, id=239, vol=2.140000e+06
assign (resid 46 and name HN) (resid 41 and name HA) 3.043 1.157 2.657 weight 1.000 ! spec=HNH, no=320, id=240, vol=1.840000e+06
assign (resid 46 and name HN) (resid 46 and name HB) 3.074 1.181 2.681 weight 1.000 ! spec=HNH, no=322, id=242, vol=1.730000e+06
assign (resid 46 and name HN) (resid 44 and name HB2) 3.034 1.151 2.651 weight 1.000 ! spec=HNH, no=324, id=244, vol=1.870000e+06
assign (resid 46 and name HN) (resid 41 and name HB2) 3.040 1.155 2.655 weight 1.000 ! spec=HNH, no=326, id=246, vol=1.850000e+06
    or (resid   46 and name   HN) (resid   41 and name  HB1)
    or (resid   46 and name   HN) (resid   41 and name  HB3)
assign (resid 34 and name HE22) (resid 34 and name HE21) 1.810 0.410 1.91 weight 1.000 ! spec=HNH, no=339, id=253, vol=4.150000e+07
assign (resid 34 and name HE21) (resid 34 and name HA) 3.563 1.587 3.087 weight 1.000 ! spec=HNH, no=342, id=256, vol=7.130000e+05
assign (resid 34 and name HE21) (resid 34 and name HB2) 3.320 1.378 2.878 weight 1.000 ! spec=HNH, no=347, id=261, vol=1.090000e+06
    or (resid   34 and name HE21) (resid   34 and name  HB1)
assign (resid 34 and name HE21) (resid 48 and name HD2) 3.908 1.909 3.409 weight 1.000 ! spec=HNH, no=348, id=262, vol=4.100000e+05
    or (resid   34 and name HE21) (resid   48 and name  HD1)
assign (resid 34 and name HE21) (resid 37 and name HB1) 4.121 2.123 3.623 weight 1.000 ! spec=HNH, no=349, id=263, vol=2.980000e+05
assign (resid 86 and name HE21) (resid 84 and name HB2) 4.130 2.132 3.632 weight 1.000 ! spec=HNH, no=351, id=265, vol=2.940000e+05
assign (resid 86 and name HE21) (resid 95 and name HB1) 4.208 2.213 3.713 weight 1.000 ! spec=HNH, no=352, id=266, vol=2.630000e+05
assign (resid 74 and name HE21) (resid 74 and name HE22) 1.608 0.323 1.823 weight 1.000 ! spec=HNH, no=357, id=270, vol=8.450000e+07
assign (resid 74 and name HE21) (resid 75 and name HA) 4.383 2.401 3.901 weight 1.000 ! spec=HNH, no=359, id=272, vol=2.060000e+05
assign (resid 5 and name HE21) (resid 5 and name HE22) 1.574 0.310 1.81 weight 1.000 ! spec=HNH, no=394, id=285, vol=9.600000e+07
assign (resid 5 and name HE21) (resid 5 and name HG2) 2.891 1.045 2.545 weight 1.000 ! spec=HNH, no=395, id=286, vol=2.500000e+06
assign (resid 63 and name HD21) (resid 63 and name HN) 2.677 0.895 2.395 weight 1.000 ! spec=HNH, no=400, id=290, vol=3.970000e+06
assign (resid 63 and name HD21) (resid 76 and name HZ3) 3.880 1.882 3.382 weight 1.000 ! spec=HNH, no=402, id=292, vol=4.280000e+05
assign (resid 63 and name HD21) (resid 59 and name HE1) 3.510 1.540 3.04 weight 1.000 ! spec=HNH, no=403, id=293, vol=7.810000e+05
    or (resid   63 and name HD21) (resid   59 and name  HE2)
assign (resid 27 and name HD2) (resid 31 and name HA) 4.358 2.374 3.874 weight 1.000 ! spec=HNH, no=411, id=295, vol=2.130000e+05
assign (resid 63 and name HD21) (resid 63 and name HA) 3.666 1.680 3.18 weight 1.000 ! spec=HNH, no=413, id=297, vol=6.010000e+05
assign (resid 63 and name HD21) (resid 63 and name HB2) 2.895 1.048 2.548 weight 1.000 ! spec=HNH, no=417, id=300, vol=2.480000e+06
assign (resid 63 and name HD21) (resid 63 and name HB1) 3.024 1.143 2.643 weight 1.000 ! spec=HNH, no=419, id=301, vol=1.910000e+06
assign (resid 63 and name HD21) (resid 61 and name HB1) 4.261 2.269 3.769 weight 1.000 ! spec=HNH, no=421, id=303, vol=2.440000e+05
assign (resid 27 and name HD2) (resid 26 and name HG2) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=422, id=304, vol=2.680000e+05
    or (resid   27 and name  HD2) (resid   26 and name  HG1)
assign (resid 63 and name HD21) (resid 64 and name HG22) 3.954 1.954 3.454 weight 1.000 ! spec=HNH, no=424, id=305, vol=3.820000e+05
    or (resid   63 and name HD21) (resid   64 and name HG21)
    or (resid   63 and name HD21) (resid   64 and name HG23)
assign (resid 63 and name HD21) (resid 62 and name HB2) 3.993 1.993 3.493 weight 1.000 ! spec=HNH, no=426, id=306, vol=3.600000e+05
assign (resid 63 and name HD21) (resid 70 and name HB2) 4.255 2.263 3.763 weight 1.000 ! spec=HNH, no=427, id=307, vol=2.460000e+05
    or (resid   63 and name HD21) (resid   70 and name  HB1)
    or (resid   63 and name HD21) (resid   70 and name  HB3)
assign (resid 63 and name HD21) (resid 62 and name HB1) 4.149 2.152 3.652 weight 1.000 ! spec=HNH, no=428, id=308, vol=2.860000e+05
assign (resid 63 and name HD21) (resid 62 and name HD22) 4.003 2.003 3.503 weight 1.000 ! spec=HNH, no=429, id=309, vol=3.550000e+05
    or (resid   63 and name HD21) (resid   62 and name HD21)
    or (resid   63 and name HD21) (resid   62 and name HD23)
assign (resid 74 and name HE22) (resid 73 and name HN) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=437, id=316, vol=4.520000e+05
assign (resid 92 and name HE22) (resid 95 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HNH, no=448, id=325, vol=1.490000e+06
assign (resid 74 and name HE22) (resid 75 and name HA) 4.083 2.084 3.584 weight 1.000 ! spec=HNH, no=450, id=327, vol=3.150000e+05
assign (resid 74 and name HE22) (resid 32 and name HD2) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=452, id=329, vol=2.680000e+05
assign (resid 74 and name HE22) (resid 74 and name HA) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=454, id=331, vol=3.470000e+05
assign (resid 74 and name HE22) (resid 34 and name HG2) 4.047 2.048 3.548 weight 1.000 ! spec=HNH, no=455, id=332, vol=3.320000e+05
assign (resid 74 and name HE22) (resid 74 and name HG2) 2.998 1.124 2.624 weight 1.000 ! spec=HNH, no=457, id=334, vol=2.010000e+06
    or (resid   74 and name HE22) (resid   74 and name  HG1)
assign (resid 74 and name HE22) (resid 32 and name HG1) 4.224 2.230 3.73 weight 1.000 ! spec=HNH, no=458, id=335, vol=2.570000e+05
assign (resid 92 and name HE22) (resid 92 and name HB2) 3.832 1.836 3.336 weight 1.000 ! spec=HNH, no=459, id=336, vol=4.610000e+05
assign (resid 86 and name HE22) (resid 89 and name HN) 4.054 2.054 3.554 weight 1.000 ! spec=HNH, no=461, id=338, vol=3.290000e+05
assign (resid 5 and name HE22) (resid 5 and name HN) 4.338 2.352 3.852 weight 1.000 ! spec=HNH, no=467, id=344, vol=2.190000e+05
assign (resid 86 and name HE22) (resid 95 and name HA) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=477, id=351, vol=1.950000e+06
assign (resid 5 and name HE22) (resid 4 and name HA) 4.365 2.382 3.882 weight 1.000 ! spec=HNH, no=478, id=352, vol=2.110000e+05
assign (resid 5 and name HE22) (resid 5 and name HG2) 3.196 1.277 2.777 weight 1.000 ! spec=HNH, no=479, id=353, vol=1.370000e+06
assign (resid 5 and name HE22) (resid 5 and name HG1) 3.021 1.141 2.641 weight 1.000 ! spec=HNH, no=480, id=354, vol=1.920000e+06
assign (resid 5 and name HE22) (resid 4 and name HB1) 3.798 1.803 3.303 weight 1.000 ! spec=HNH, no=481, id=355, vol=4.860000e+05
assign (resid 86 and name HE22) (resid 85 and name HB2) 4.390 2.409 3.909 weight 1.000 ! spec=HNH, no=493, id=362, vol=2.040000e+05
    or (resid   86 and name HE22) (resid   85 and name  HB1)
assign (resid 86 and name HE22) (resid 92 and name HG2) 2.953 1.090 2.59 weight 1.000 ! spec=HNH, no=494, id=363, vol=2.200000e+06
    or (resid   86 and name HE22) (resid   92 and name  HG1)
assign (resid 86 and name HE22) (resid 89 and name HB1) 4.103 2.104 3.604 weight 1.000 ! spec=HNH, no=495, id=364, vol=3.060000e+05
assign (resid 34 and name HN) (resid 35 and name HN) 2.562 0.821 2.321 weight 1.000 ! spec=HNH, no=503, id=368, vol=5.160000e+06
assign (resid 34 and name HN) (resid 33 and name HD1) 3.173 1.259 2.759 weight 1.000 ! spec=HNH, no=504, id=369, vol=1.430000e+06
    or (resid   34 and name   HN) (resid   33 and name  HD2)
assign (resid 34 and name HN) (resid 32 and name HA) 3.459 1.496 2.996 weight 1.000 ! spec=HNH, no=505, id=370, vol=8.520000e+05
assign (resid 34 and name HN) (resid 32 and name HD2) 4.213 2.219 3.719 weight 1.000 ! spec=HNH, no=507, id=372, vol=2.610000e+05
assign (resid 34 and name HN) (resid 34 and name HB2) 2.183 0.595 2.095 weight 1.000 ! spec=HNH, no=517, id=381, vol=1.350000e+07
    or (resid   34 and name   HN) (resid   34 and name  HB1)
assign (resid 34 and name HN) (resid 37 and name HB1) 3.646 1.662 3.162 weight 1.000 ! spec=HNH, no=518, id=382, vol=6.210000e+05
assign (resid 34 and name HN) (resid 75 and name HG21) 3.858 1.860 3.36 weight 1.000 ! spec=HNH, no=519, id=383, vol=4.430000e+05
    or (resid   34 and name   HN) (resid   75 and name HG22)
    or (resid   34 and name   HN) (resid   75 and name HG23)
assign (resid 34 and name HN) (resid 37 and name HD22) 3.511 1.541 3.041 weight 1.000 ! spec=HNH, no=520, id=384, vol=7.790000e+05
    or (resid   34 and name   HN) (resid   37 and name HD21)
    or (resid   34 and name   HN) (resid   37 and name HD23)
    or (resid   34 and name   HN) (resid   37 and name HD12)
    or (resid   34 and name   HN) (resid   37 and name HD11)
    or (resid   34 and name   HN) (resid   37 and name HD13)
assign (resid 28 and name HN) (resid 27 and name HA) 3.111 1.210 2.71 weight 1.000 ! spec=HNH, no=526, id=388, vol=1.610000e+06
assign (resid 28 and name HN) (resid 25 and name HA) 3.855 1.857 3.357 weight 1.000 ! spec=HNH, no=527, id=389, vol=4.450000e+05
assign (resid 28 and name HN) (resid 28 and name HA) 2.477 0.767 2.267 weight 1.000 ! spec=HNH, no=528, id=390, vol=6.320000e+06
assign (resid 28 and name HN) (resid 26 and name HG2) 4.010 2.010 3.51 weight 1.000 ! spec=HNH, no=533, id=395, vol=3.510000e+05
    or (resid   28 and name   HN) (resid   26 and name  HG1)
assign (resid 28 and name HN) (resid 25 and name HB2) 4.031 2.032 3.532 weight 1.000 ! spec=HNH, no=534, id=396, vol=3.400000e+05
    or (resid   28 and name   HN) (resid   25 and name  HB1)
assign (resid 28 and name HN) (resid 26 and name HB2) 3.959 1.959 3.459 weight 1.000 ! spec=HNH, no=535, id=397, vol=3.790000e+05
assign (resid 17 and name HN) (resid 18 and name HN) 2.603 0.847 2.347 weight 1.000 ! spec=HNH, no=539, id=401, vol=4.690000e+06
assign (resid 17 and name HN) (resid 58 and name HE1) 3.330 1.386 2.886 weight 1.000 ! spec=HNH, no=540, id=402, vol=1.070000e+06
    or (resid   17 and name   HN) (resid   58 and name  HE2)
assign (resid 17 and name HN) (resid 58 and name HA) 4.081 2.082 3.582 weight 1.000 ! spec=HNH, no=541, id=403, vol=3.160000e+05
assign (resid 17 and name HN) (resid 15 and name HA) 3.320 1.378 2.878 weight 1.000 ! spec=HNH, no=542, id=404, vol=1.090000e+06
assign (resid 17 and name HN) (resid 16 and name HA) 3.095 1.198 2.698 weight 1.000 ! spec=HNH, no=545, id=407, vol=1.660000e+06
assign (resid 17 and name HN) (resid 58 and name HB1) 4.133 2.135 3.635 weight 1.000 ! spec=HNH, no=546, id=408, vol=2.930000e+05
assign (resid 17 and name HN) (resid 61 and name HB2) 4.006 2.006 3.506 weight 1.000 ! spec=HNH, no=547, id=409, vol=3.530000e+05
assign (resid 17 and name HN) (resid 17 and name HB) 2.432 0.739 2.239 weight 1.000 ! spec=HNH, no=549, id=410, vol=7.050000e+06
assign (resid 17 and name HN) (resid 18 and name HB1) 3.957 1.958 3.458 weight 1.000 ! spec=HNH, no=550, id=411, vol=3.800000e+05
assign (resid 17 and name HN) (resid 16 and name HB2) 2.878 1.035 2.535 weight 1.000 ! spec=HNH, no=552, id=413, vol=2.570000e+06
assign (resid 17 and name HN) (resid 17 and name HG22) 2.239 0.626 2.126 weight 1.000 ! spec=HNH, no=554, id=415, vol=1.160000e+07
    or (resid   17 and name   HN) (resid   17 and name HG21)
    or (resid   17 and name   HN) (resid   17 and name HG23)
    or (resid   17 and name   HN) (resid   17 and name HG12)
    or (resid   17 and name   HN) (resid   17 and name HG11)
    or (resid   17 and name   HN) (resid   17 and name HG13)
assign (resid 49 and name HN) (resid 48 and name HN) 2.712 0.919 2.419 weight 1.000 ! spec=HNH, no=563, id=421, vol=3.670000e+06
assign (resid 49 and name HN) (resid 47 and name HN) 3.801 1.806 3.306 weight 1.000 ! spec=HNH, no=566, id=423, vol=4.840000e+05
assign (resid 49 and name HN) (resid 50 and name HN) 2.583 0.834 2.334 weight 1.000 ! spec=HNH, no=568, id=425, vol=4.910000e+06
assign (resid 49 and name HN) (resid 51 and name HN) 3.196 1.277 2.777 weight 1.000 ! spec=HNH, no=571, id=428, vol=1.370000e+06
assign (resid 49 and name HN) (resid 52 and name HN) 4.362 2.378 3.878 weight 1.000 ! spec=HNH, no=572, id=429, vol=2.120000e+05
assign (resid 49 and name HN) (resid 47 and name HA) 3.141 1.233 2.733 weight 1.000 ! spec=HNH, no=576, id=432, vol=1.520000e+06
assign (resid 49 and name HN) (resid 50 and name HA) 3.629 1.646 3.146 weight 1.000 ! spec=HNH, no=577, id=433, vol=6.390000e+05
assign (resid 49 and name HN) (resid 49 and name HA) 2.530 0.800 2.3 weight 1.000 ! spec=HNH, no=578, id=434, vol=5.570000e+06
assign (resid 49 and name HN) (resid 48 and name HA) 3.048 1.161 2.661 weight 1.000 ! spec=HNH, no=579, id=435, vol=1.820000e+06
assign (resid 49 and name HN) (resid 49 and name HB2) 2.342 0.686 2.186 weight 1.000 ! spec=HNH, no=583, id=439, vol=8.850000e+06
    or (resid   49 and name   HN) (resid   49 and name  HB1)
assign (resid 49 and name HN) (resid 48 and name HB2) 2.876 1.034 2.534 weight 1.000 ! spec=HNH, no=584, id=440, vol=2.580000e+06
assign (resid 49 and name HN) (resid 48 and name HD2) 2.499 0.781 2.281 weight 1.000 ! spec=HNH, no=585, id=441, vol=5.990000e+06
    or (resid   49 and name   HN) (resid   48 and name  HD1)
assign (resid 49 and name HN) (resid 48 and name HG2) 2.705 0.914 2.414 weight 1.000 ! spec=HNH, no=587, id=443, vol=3.730000e+06
    or (resid   49 and name   HN) (resid   48 and name  HG1)
assign (resid 49 and name HN) (resid 37 and name HD22) 3.715 1.725 3.225 weight 1.000 ! spec=HNH, no=589, id=445, vol=5.550000e+05
    or (resid   49 and name   HN) (resid   37 and name HD21)
    or (resid   49 and name   HN) (resid   37 and name HD23)
    or (resid   49 and name   HN) (resid   37 and name HD12)
    or (resid   49 and name   HN) (resid   37 and name HD11)
    or (resid   49 and name   HN) (resid   37 and name HD13)
assign (resid 31 and name HN) (resid 24 and name HZ) 3.687 1.699 3.199 weight 1.000 ! spec=HNH, no=594, id=448, vol=5.810000e+05
assign (resid 31 and name HN) (resid 81 and name HH2) 3.616 1.634 3.134 weight 1.000 ! spec=HNH, no=595, id=449, vol=6.530000e+05
assign (resid 31 and name HN) (resid 31 and name HA) 2.972 1.104 2.604 weight 1.000 ! spec=HNH, no=598, id=451, vol=2.120000e+06
assign (resid 31 and name HN) (resid 75 and name HA) 3.622 1.639 3.139 weight 1.000 ! spec=HNH, no=599, id=452, vol=6.470000e+05
assign (resid 31 and name HN) (resid 32 and name HD2) 3.893 1.895 3.395 weight 1.000 ! spec=HNH, no=600, id=453, vol=4.190000e+05
assign (resid 31 and name HN) (resid 75 and name HB) 3.098 1.200 2.7 weight 1.000 ! spec=HNH, no=601, id=454, vol=1.650000e+06
assign (resid 31 and name HN) (resid 71 and name HD12) 3.320 1.378 2.878 weight 1.000 ! spec=HNH, no=607, id=459, vol=1.090000e+06
    or (resid   31 and name   HN) (resid   71 and name HD11)
    or (resid   31 and name   HN) (resid   71 and name HD13)
assign (resid 21 and name HN) (resid 17 and name HN) 3.966 1.966 3.466 weight 1.000 ! spec=HNH, no=608, id=460, vol=3.750000e+05
assign (resid 21 and name HN) (resid 24 and name HN) 3.574 1.597 3.097 weight 1.000 ! spec=HNH, no=609, id=461, vol=7.000000e+05
assign (resid 21 and name HN) (resid 22 and name HN) 2.654 0.880 2.38 weight 1.000 ! spec=HNH, no=615, id=465, vol=4.180000e+06
assign (resid 21 and name HN) (resid 68 and name HZ) 2.858 1.021 2.521 weight 1.000 ! spec=HNH, no=616, id=466, vol=2.680000e+06
assign (resid 21 and name HN) (resid 95 and name HD2) 4.303 2.314 3.814 weight 1.000 ! spec=HNH, no=619, id=468, vol=2.300000e+05
assign (resid 21 and name HN) (resid 58 and name HE1) 4.390 2.409 3.909 weight 1.000 ! spec=HNH, no=621, id=470, vol=2.040000e+05
    or (resid   21 and name   HN) (resid   58 and name  HE2)
assign (resid 21 and name HN) (resid 22 and name HA) 3.679 1.692 3.192 weight 1.000 ! spec=HNH, no=625, id=474, vol=5.890000e+05
assign (resid 21 and name HN) (resid 22 and name HG2) 3.672 1.686 3.186 weight 1.000 ! spec=HNH, no=630, id=479, vol=5.950000e+05
assign (resid 21 and name HN) (resid 18 and name HB1) 3.607 1.626 3.126 weight 1.000 ! spec=HNH, no=632, id=481, vol=6.630000e+05
assign (resid 21 and name HN) (resid 19 and name HB) 3.660 1.675 3.175 weight 1.000 ! spec=HNH, no=633, id=482, vol=6.070000e+05
assign (resid 21 and name HN) (resid 17 and name HG22) 3.371 1.421 2.921 weight 1.000 ! spec=HNH, no=637, id=485, vol=9.940000e+05
    or (resid   21 and name   HN) (resid   17 and name HG21)
    or (resid   21 and name   HN) (resid   17 and name HG23)
    or (resid   21 and name   HN) (resid   17 and name HG12)
    or (resid   21 and name   HN) (resid   17 and name HG11)
    or (resid   21 and name   HN) (resid   17 and name HG13)
assign (resid 21 and name HN) (resid 19 and name HG22) 3.416 1.458 2.958 weight 1.000 ! spec=HNH, no=638, id=486, vol=9.190000e+05
    or (resid   21 and name   HN) (resid   19 and name HG21)
    or (resid   21 and name   HN) (resid   19 and name HG23)
assign (resid 21 and name HN) (resid 78 and name HD12) 4.096 2.097 3.597 weight 1.000 ! spec=HNH, no=639, id=487, vol=3.090000e+05
    or (resid   21 and name   HN) (resid   78 and name HD11)
    or (resid   21 and name   HN) (resid   78 and name HD13)
assign (resid 21 and name HN) (resid 78 and name HD22) 3.757 1.764 3.264 weight 1.000 ! spec=HNH, no=640, id=488, vol=5.190000e+05
    or (resid   21 and name   HN) (resid   78 and name HD21)
    or (resid   21 and name   HN) (resid   78 and name HD23)
assign (resid 21 and name HN) (resid 62 and name HD12) 4.116 2.118 3.618 weight 1.000 ! spec=HNH, no=642, id=490, vol=3.000000e+05
    or (resid   21 and name   HN) (resid   62 and name HD11)
    or (resid   21 and name   HN) (resid   62 and name HD13)
assign (resid 27 and name HN) (resid 28 and name HN) 2.637 0.869 2.369 weight 1.000 ! spec=HNH, no=643, id=491, vol=4.340000e+06
assign (resid 27 and name HN) (resid 26 and name HN) 2.404 0.722 2.222 weight 1.000 ! spec=HNH, no=645, id=492, vol=7.570000e+06
assign (resid 27 and name HN) (resid 81 and name HZ2) 3.538 1.565 3.065 weight 1.000 ! spec=HNH, no=646, id=493, vol=7.440000e+05
assign (resid 27 and name HN) (resid 27 and name HD2) 3.148 1.239 2.739 weight 1.000 ! spec=HNH, no=649, id=496, vol=1.500000e+06
assign (resid 27 and name HN) (resid 24 and name HA) 2.960 1.095 2.595 weight 1.000 ! spec=HNH, no=650, id=497, vol=2.170000e+06
assign (resid 27 and name HN) (resid 27 and name HA) 2.825 0.998 2.498 weight 1.000 ! spec=HNH, no=651, id=498, vol=2.870000e+06
assign (resid 27 and name HN) (resid 25 and name HA) 3.740 1.749 3.249 weight 1.000 ! spec=HNH, no=653, id=499, vol=5.330000e+05
assign (resid 27 and name HN) (resid 26 and name HA) 2.934 1.076 2.576 weight 1.000 ! spec=HNH, no=654, id=500, vol=2.290000e+06
assign (resid 27 and name HN) (resid 23 and name HA) 3.558 1.583 3.083 weight 1.000 ! spec=HNH, no=655, id=501, vol=7.190000e+05
assign (resid 27 and name HN) (resid 28 and name HE2) 4.079 2.080 3.58 weight 1.000 ! spec=HNH, no=661, id=506, vol=3.170000e+05
    or (resid   27 and name   HN) (resid   28 and name  HE1)
assign (resid 27 and name HN) (resid 26 and name HB1) 2.566 0.823 2.323 weight 1.000 ! spec=HNH, no=666, id=511, vol=5.110000e+06
assign (resid 27 and name HN) (resid 23 and name HB1) 4.096 2.097 3.597 weight 1.000 ! spec=HNH, no=672, id=517, vol=3.090000e+05
assign (resid 27 and name HN) (resid 3 and name HG11) 4.189 2.194 3.694 weight 1.000 ! spec=HNH, no=673, id=518, vol=2.700000e+05
assign (resid 27 and name HN) (resid 31 and name HG22) 3.990 1.990 3.49 weight 1.000 ! spec=HNH, no=675, id=519, vol=3.620000e+05
    or (resid   27 and name   HN) (resid   31 and name HG21)
    or (resid   27 and name   HN) (resid   31 and name HG23)
assign (resid 9 and name HN) (resid 8 and name HN) 2.603 0.847 2.347 weight 1.000 ! spec=HNH, no=676, id=520, vol=4.690000e+06
assign (resid 9 and name HN) (resid 10 and name HN) 2.360 0.696 2.196 weight 1.000 ! spec=HNH, no=681, id=522, vol=8.440000e+06
assign (resid 9 and name HN) (resid 7 and name HA) 3.286 1.349 2.849 weight 1.000 ! spec=HNH, no=682, id=523, vol=1.160000e+06
assign (resid 9 and name HN) (resid 9 and name HA) 2.404 0.722 2.222 weight 1.000 ! spec=HNH, no=685, id=526, vol=7.570000e+06
assign (resid 9 and name HN) (resid 12 and name HE2) 4.152 2.155 3.655 weight 1.000 ! spec=HNH, no=687, id=528, vol=2.850000e+05
    or (resid    9 and name   HN) (resid   12 and name  HE1)
assign (resid 9 and name HN) (resid 11 and name HD12) 3.919 1.920 3.42 weight 1.000 ! spec=HNH, no=693, id=534, vol=4.030000e+05
    or (resid    9 and name   HN) (resid   11 and name HD11)
    or (resid    9 and name   HN) (resid   11 and name HD13)
assign (resid 72 and name HN) (resid 71 and name HA) 2.947 1.085 2.585 weight 1.000 ! spec=HNH, no=696, id=536, vol=2.230000e+06
assign (resid 72 and name HN) (resid 72 and name HA) 3.204 1.283 2.783 weight 1.000 ! spec=HNH, no=697, id=537, vol=1.350000e+06
assign (resid 72 and name HN) (resid 75 and name HB) 3.141 1.233 2.733 weight 1.000 ! spec=HNH, no=698, id=538, vol=1.520000e+06
assign (resid 72 and name HN) (resid 71 and name HB1) 3.208 1.286 2.786 weight 1.000 ! spec=HNH, no=700, id=540, vol=1.340000e+06
assign (resid 72 and name HN) (resid 71 and name HG) 3.673 1.687 3.187 weight 1.000 ! spec=HNH, no=701, id=541, vol=5.940000e+05
assign (resid 57 and name HE21) (resid 61 and name HB2) 4.358 2.374 3.874 weight 1.000 ! spec=HNH, no=730, id=563, vol=2.130000e+05
assign (resid 57 and name HE21) (resid 57 and name HB2) 3.537 1.563 3.063 weight 1.000 ! spec=HNH, no=736, id=568, vol=7.460000e+05
assign (resid 64 and name HN) (resid 63 and name HD21) 3.650 1.666 3.166 weight 1.000 ! spec=HNH, no=743, id=574, vol=6.170000e+05
assign (resid 64 and name HN) (resid 64 and name HA) 2.773 0.961 2.461 weight 1.000 ! spec=HNH, no=745, id=576, vol=3.210000e+06
assign (resid 64 and name HN) (resid 63 and name HB2) 3.245 1.316 2.816 weight 1.000 ! spec=HNH, no=749, id=579, vol=1.250000e+06
assign (resid 64 and name HN) (resid 64 and name HB) 2.967 1.100 2.6 weight 1.000 ! spec=HNH, no=750, id=580, vol=2.140000e+06
assign (resid 64 and name HN) (resid 64 and name HG12) 2.743 0.940 2.44 weight 1.000 ! spec=HNH, no=751, id=581, vol=3.430000e+06
    or (resid   64 and name   HN) (resid   64 and name HG11)
assign (resid 64 and name HN) (resid 60 and name HG21) 3.843 1.846 3.346 weight 1.000 ! spec=HNH, no=752, id=582, vol=4.530000e+05
    or (resid   64 and name   HN) (resid   60 and name HG22)
    or (resid   64 and name   HN) (resid   60 and name HG23)
assign (resid 64 and name HN) (resid 17 and name HG22) 4.264 2.272 3.772 weight 1.000 ! spec=HNH, no=753, id=583, vol=2.430000e+05
    or (resid   64 and name   HN) (resid   17 and name HG21)
    or (resid   64 and name   HN) (resid   17 and name HG23)
    or (resid   64 and name   HN) (resid   17 and name HG12)
    or (resid   64 and name   HN) (resid   17 and name HG11)
    or (resid   64 and name   HN) (resid   17 and name HG13)
assign (resid 64 and name HN) (resid 64 and name HD12) 3.320 1.378 2.878 weight 1.000 ! spec=HNH, no=755, id=585, vol=1.090000e+06
    or (resid   64 and name   HN) (resid   64 and name HD11)
    or (resid   64 and name   HN) (resid   64 and name HD13)
assign (resid 12 and name HN) (resid 9 and name HN) 3.909 1.910 3.41 weight 1.000 ! spec=HNH, no=757, id=587, vol=4.090000e+05
assign (resid 12 and name HN) (resid 13 and name HN) 2.409 0.726 2.226 weight 1.000 ! spec=HNH, no=769, id=594, vol=7.460000e+06
assign (resid 12 and name HN) (resid 12 and name HE2) 3.510 1.540 3.04 weight 1.000 ! spec=HNH, no=773, id=598, vol=7.810000e+05
    or (resid   12 and name   HN) (resid   12 and name  HE1)
assign (resid 12 and name HN) (resid 13 and name HG2) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=775, id=600, vol=9.710000e+05
assign (resid 12 and name HN) (resid 12 and name HG2) 2.305 0.664 2.164 weight 1.000 ! spec=HNH, no=778, id=603, vol=9.730000e+06
assign (resid 12 and name HN) (resid 12 and name HG1) 2.834 1.004 2.504 weight 1.000 ! spec=HNH, no=779, id=604, vol=2.820000e+06
assign (resid 12 and name HN) (resid 11 and name HB1) 2.923 1.068 2.568 weight 1.000 ! spec=HNH, no=780, id=605, vol=2.340000e+06
assign (resid 12 and name HN) (resid 44 and name HD22) 2.903 1.053 2.553 weight 1.000 ! spec=HNH, no=782, id=606, vol=2.440000e+06
    or (resid   12 and name   HN) (resid   44 and name HD21)
    or (resid   12 and name   HN) (resid   44 and name HD23)
    or (resid   12 and name   HN) (resid   44 and name HD12)
    or (resid   12 and name   HN) (resid   44 and name HD11)
    or (resid   12 and name   HN) (resid   44 and name HD13)
assign (resid 13 and name HN) (resid 11 and name HN) 3.424 1.465 2.965 weight 1.000 ! spec=HNH, no=784, id=607, vol=9.060000e+05
assign (resid 13 and name HN) (resid 13 and name HA) 2.533 0.802 2.302 weight 1.000 ! spec=HNH, no=789, id=611, vol=5.530000e+06
assign (resid 13 and name HN) (resid 14 and name HA) 3.439 1.479 2.979 weight 1.000 ! spec=HNH, no=791, id=613, vol=8.820000e+05
assign (resid 13 and name HN) (resid 12 and name HA) 2.829 1.000 2.5 weight 1.000 ! spec=HNH, no=793, id=615, vol=2.850000e+06
assign (resid 13 and name HN) (resid 12 and name HG1) 3.341 1.395 2.895 weight 1.000 ! spec=HNH, no=799, id=621, vol=1.050000e+06
assign (resid 57 and name HE22) (resid 61 and name HN) 3.676 1.689 3.189 weight 1.000 ! spec=HNH, no=808, id=622, vol=5.920000e+05
assign (resid 57 and name HE21) (resid 57 and name HE22) 1.628 0.331 1.831 weight 1.000 ! spec=HNH, no=810, id=624, vol=7.840000e+07
assign (resid 57 and name HE22) (resid 60 and name HB) 3.325 1.382 2.882 weight 1.000 ! spec=HNH, no=820, id=630, vol=1.080000e+06
assign (resid 57 and name HE22) (resid 57 and name HA) 3.517 1.546 3.046 weight 1.000 ! spec=HNH, no=821, id=631, vol=7.710000e+05
assign (resid 57 and name HE22) (resid 57 and name HB2) 3.810 1.815 3.315 weight 1.000 ! spec=HNH, no=825, id=634, vol=4.770000e+05
assign (resid 57 and name HE22) (resid 57 and name HB1) 3.906 1.907 3.407 weight 1.000 ! spec=HNH, no=826, id=635, vol=4.110000e+05
assign (resid 35 and name HN) (resid 36 and name HN) 2.358 0.695 2.195 weight 1.000 ! spec=HNH, no=834, id=640, vol=8.500000e+06
assign (resid 35 and name HN) (resid 35 and name HA) 2.652 0.879 2.379 weight 1.000 ! spec=HNH, no=839, id=644, vol=4.200000e+06
assign (resid 35 and name HN) (resid 38 and name HB2) 3.766 1.772 3.272 weight 1.000 ! spec=HNH, no=845, id=649, vol=5.120000e+05
assign (resid 35 and name HN) (resid 38 and name HB1) 3.829 1.833 3.333 weight 1.000 ! spec=HNH, no=846, id=650, vol=4.630000e+05
assign (resid 35 and name HN) (resid 34 and name HG1) 3.499 1.530 3.03 weight 1.000 ! spec=HNH, no=848, id=652, vol=7.960000e+05
assign (resid 35 and name HN) (resid 35 and name HG1) 2.739 0.937 2.437 weight 1.000 ! spec=HNH, no=849, id=653, vol=3.460000e+06
assign (resid 35 and name HN) (resid 35 and name HB2) 2.159 0.583 2.083 weight 1.000 ! spec=HNH, no=850, id=654, vol=1.440000e+07
    or (resid   35 and name   HN) (resid   35 and name  HB1)
assign (resid 35 and name HN) (resid 36 and name HB2) 3.413 1.456 2.956 weight 1.000 ! spec=HNH, no=851, id=655, vol=9.230000e+05
assign (resid 28 and name HN) (resid 29 and name HN) 2.729 0.931 2.431 weight 1.000 ! spec=HNH, no=856, id=659, vol=3.530000e+06
assign (resid 27 and name HN) (resid 29 and name HN) 3.341 1.395 2.895 weight 1.000 ! spec=HNH, no=857, id=660, vol=1.050000e+06
assign (resid 29 and name HN) (resid 81 and name HH2) 2.812 0.989 2.489 weight 1.000 ! spec=HNH, no=865, id=665, vol=2.950000e+06
assign (resid 29 and name HN) (resid 24 and name HA) 3.362 1.413 2.913 weight 1.000 ! spec=HNH, no=870, id=669, vol=1.010000e+06
assign (resid 29 and name HN) (resid 29 and name HA) 2.694 0.907 2.407 weight 1.000 ! spec=HNH, no=871, id=670, vol=3.820000e+06
assign (resid 29 and name HN) (resid 28 and name HA) 2.569 0.825 2.325 weight 1.000 ! spec=HNH, no=874, id=673, vol=5.080000e+06
assign (resid 29 and name HN) (resid 27 and name HB1) 2.812 0.989 2.489 weight 1.000 ! spec=HNH, no=878, id=677, vol=2.950000e+06
assign (resid 29 and name HN) (resid 28 and name HB1) 3.407 1.451 2.951 weight 1.000 ! spec=HNH, no=883, id=682, vol=9.330000e+05
assign (resid 29 and name HN) (resid 31 and name HG22) 3.576 1.598 3.098 weight 1.000 ! spec=HNH, no=886, id=685, vol=6.980000e+05
    or (resid   29 and name   HN) (resid   31 and name HG21)
    or (resid   29 and name   HN) (resid   31 and name HG23)
assign (resid 82 and name HN) (resid 84 and name HE1) 3.420 1.462 2.962 weight 1.000 ! spec=HNH, no=896, id=694, vol=9.120000e+05
    or (resid   82 and name   HN) (resid   84 and name  HE2)
assign (resid 82 and name HN) (resid 82 and name HA) 2.753 0.948 2.448 weight 1.000 ! spec=HNH, no=897, id=695, vol=3.350000e+06
assign (resid 82 and name HN) (resid 81 and name HA) 3.065 1.174 2.674 weight 1.000 ! spec=HNH, no=898, id=696, vol=1.760000e+06
assign (resid 82 and name HN) (resid 79 and name HA) 3.465 1.501 3.001 weight 1.000 ! spec=HNH, no=900, id=698, vol=8.430000e+05
assign (resid 82 and name HN) (resid 83 and name HD2) 3.016 1.137 2.637 weight 1.000 ! spec=HNH, no=901, id=699, vol=1.940000e+06
    or (resid   82 and name   HN) (resid   83 and name  HD1)
assign (resid 82 and name HN) (resid 82 and name HB1) 2.656 0.882 2.382 weight 1.000 ! spec=HNH, no=904, id=700, vol=4.160000e+06
assign (resid 82 and name HN) (resid 81 and name HB1) 3.184 1.268 2.768 weight 1.000 ! spec=HNH, no=905, id=701, vol=1.400000e+06
assign (resid 82 and name HN) (resid 83 and name HG2) 4.114 2.116 3.616 weight 1.000 ! spec=HNH, no=908, id=704, vol=3.010000e+05
assign (resid 82 and name HN) (resid 69 and name HD22) 3.610 1.629 3.129 weight 1.000 ! spec=HNH, no=911, id=707, vol=6.590000e+05
    or (resid   82 and name   HN) (resid   69 and name HD21)
    or (resid   82 and name   HN) (resid   69 and name HD23)
assign (resid 26 and name HN) (resid 27 and name HA) 3.916 1.916 3.416 weight 1.000 ! spec=HNH, no=922, id=715, vol=4.050000e+05
assign (resid 26 and name HN) (resid 23 and name HA) 3.045 1.159 2.659 weight 1.000 ! spec=HNH, no=925, id=718, vol=1.830000e+06
assign (resid 26 and name HN) (resid 26 and name HB2) 2.229 0.621 2.121 weight 1.000 ! spec=HNH, no=929, id=721, vol=1.190000e+07
assign (resid 26 and name HN) (resid 23 and name HD22) 3.908 1.909 3.409 weight 1.000 ! spec=HNH, no=938, id=729, vol=4.100000e+05
    or (resid   26 and name   HN) (resid   23 and name HD21)
    or (resid   26 and name   HN) (resid   23 and name HD23)
assign (resid 51 and name HN) (resid 50 and name HN) 2.185 0.597 2.097 weight 1.000 ! spec=HNH, no=941, id=732, vol=1.340000e+07
assign (resid 51 and name HN) (resid 52 and name HN) 2.299 0.661 2.161 weight 1.000 ! spec=HNH, no=942, id=733, vol=9.890000e+06
assign (resid 51 and name HN) (resid 51 and name HG) 2.489 0.774 2.274 weight 1.000 ! spec=HNH, no=959, id=748, vol=6.140000e+06
assign (resid 51 and name HN) (resid 51 and name HD22) 2.518 0.793 2.293 weight 1.000 ! spec=HNH, no=965, id=752, vol=5.720000e+06
    or (resid   51 and name   HN) (resid   51 and name HD21)
    or (resid   51 and name   HN) (resid   51 and name HD23)
    or (resid   51 and name   HN) (resid   51 and name HD12)
    or (resid   51 and name   HN) (resid   51 and name HD11)
    or (resid   51 and name   HN) (resid   51 and name HD13)
assign (resid 38 and name HN) (resid 35 and name HN) 3.381 1.428 2.928 weight 1.000 ! spec=HNH, no=970, id=756, vol=9.780000e+05
assign (resid 38 and name HN) (resid 38 and name HA) 2.428 0.737 2.237 weight 1.000 ! spec=HNH, no=972, id=758, vol=7.120000e+06
assign (resid 38 and name HN) (resid 35 and name HA) 2.700 0.911 2.411 weight 1.000 ! spec=HNH, no=973, id=759, vol=3.770000e+06
assign (resid 38 and name HN) (resid 36 and name HB1) 3.883 1.884 3.384 weight 1.000 ! spec=HNH, no=982, id=768, vol=4.260000e+05
assign (resid 38 and name HN) (resid 36 and name HG) 3.719 1.729 3.229 weight 1.000 ! spec=HNH, no=984, id=770, vol=5.520000e+05
assign (resid 38 and name HN) (resid 37 and name HB2) 2.619 0.858 2.358 weight 1.000 ! spec=HNH, no=986, id=772, vol=4.520000e+06
assign (resid 38 and name HN) (resid 37 and name HB1) 2.625 0.861 2.361 weight 1.000 ! spec=HNH, no=987, id=773, vol=4.460000e+06
assign (resid 38 and name HN) (resid 37 and name HD22) 2.921 1.067 2.567 weight 1.000 ! spec=HNH, no=989, id=775, vol=2.350000e+06
    or (resid   38 and name   HN) (resid   37 and name HD21)
    or (resid   38 and name   HN) (resid   37 and name HD23)
    or (resid   38 and name   HN) (resid   37 and name HD12)
    or (resid   38 and name   HN) (resid   37 and name HD11)
    or (resid   38 and name   HN) (resid   37 and name HD13)
assign (resid 38 and name HN) (resid 40 and name HD12) 4.169 2.173 3.673 weight 1.000 ! spec=HNH, no=991, id=777, vol=2.780000e+05
    or (resid   38 and name   HN) (resid   40 and name HD11)
    or (resid   38 and name   HN) (resid   40 and name HD13)
assign (resid 57 and name HN) (resid 54 and name HN) 3.622 1.640 3.14 weight 1.000 ! spec=HNH, no=994, id=780, vol=6.460000e+05
assign (resid 57 and name HN) (resid 56 and name HN) 2.483 0.771 2.271 weight 1.000 ! spec=HNH, no=996, id=782, vol=6.230000e+06
assign (resid 57 and name HN) (resid 55 and name HN) 3.105 1.205 2.705 weight 1.000 ! spec=HNH, no=999, id=785, vol=1.630000e+06
assign (resid 57 and name HN) (resid 54 and name HA) 2.845 1.012 2.512 weight 1.000 ! spec=HNH, no=1007, id=792, vol=2.750000e+06
assign (resid 57 and name HN) (resid 55 and name HA) 3.650 1.666 3.166 weight 1.000 ! spec=HNH, no=1011, id=796, vol=6.170000e+05
assign (resid 5 and name HN) (resid 6 and name HN) 2.258 0.638 2.138 weight 1.000 ! spec=HNH, no=1028, id=808, vol=1.100000e+07
assign (resid 5 and name HN) (resid 6 and name HB2) 3.889 1.890 3.39 weight 1.000 ! spec=HNH, no=1034, id=814, vol=4.220000e+05
assign (resid 5 and name HN) (resid 22 and name HG2) 4.164 2.167 3.667 weight 1.000 ! spec=HNH, no=1037, id=817, vol=2.800000e+05
assign (resid 5 and name HN) (resid 5 and name HB2) 2.337 0.683 2.183 weight 1.000 ! spec=HNH, no=1038, id=818, vol=8.960000e+06
    or (resid    5 and name   HN) (resid    5 and name  HB1)
assign (resid 5 and name HN) (resid 5 and name HG1) 2.520 0.794 2.294 weight 1.000 ! spec=HNH, no=1039, id=819, vol=5.700000e+06
assign (resid 5 and name HN) (resid 4 and name HB1) 2.837 1.006 2.506 weight 1.000 ! spec=HNH, no=1040, id=820, vol=2.800000e+06
assign (resid 57 and name HN) (resid 60 and name HG21) 3.970 1.970 3.47 weight 1.000 ! spec=HNH, no=1041, id=821, vol=3.730000e+05
    or (resid   57 and name   HN) (resid   60 and name HG22)
    or (resid   57 and name   HN) (resid   60 and name HG23)
assign (resid 22 and name HN) (resid 24 and name HN) 3.398 1.443 2.943 weight 1.000 ! spec=HNH, no=1042, id=822, vol=9.480000e+05
assign (resid 22 and name HN) (resid 23 and name HN) 2.369 0.701 2.201 weight 1.000 ! spec=HNH, no=1044, id=824, vol=8.260000e+06
assign (resid 22 and name HN) (resid 25 and name HN) 3.394 1.440 2.94 weight 1.000 ! spec=HNH, no=1045, id=825, vol=9.550000e+05
assign (resid 22 and name HN) (resid 19 and name HN) 3.577 1.599 3.099 weight 1.000 ! spec=HNH, no=1049, id=827, vol=6.970000e+05
assign (resid 22 and name HN) (resid 68 and name HZ) 3.408 1.452 2.952 weight 1.000 ! spec=HNH, no=1050, id=828, vol=9.310000e+05
assign (resid 22 and name HN) (resid 21 and name HB2) 2.845 1.012 2.512 weight 1.000 ! spec=HNH, no=1060, id=836, vol=2.750000e+06
assign (resid 22 and name HN) (resid 20 and name HB2) 3.245 1.316 2.816 weight 1.000 ! spec=HNH, no=1068, id=843, vol=1.250000e+06
    or (resid   22 and name   HN) (resid   20 and name  HB1)
    or (resid   22 and name   HN) (resid   20 and name  HB3)
assign (resid 60 and name HN) (resid 61 and name HN) 2.538 0.805 2.305 weight 1.000 ! spec=HNH, no=1071, id=846, vol=5.460000e+06
assign (resid 60 and name HN) (resid 59 and name HN) 2.611 0.852 2.352 weight 1.000 ! spec=HNH, no=1072, id=847, vol=4.610000e+06
assign (resid 60 and name HN) (resid 33 and name HZ) 3.608 1.627 3.127 weight 1.000 ! spec=HNH, no=1075, id=848, vol=6.620000e+05
assign (resid 60 and name HN) (resid 63 and name HN) 3.772 1.778 3.278 weight 1.000 ! spec=HNH, no=1076, id=849, vol=5.070000e+05
assign (resid 60 and name HN) (resid 58 and name HA) 3.890 1.892 3.392 weight 1.000 ! spec=HNH, no=1077, id=850, vol=4.210000e+05
assign (resid 60 and name HN) (resid 60 and name HB) 2.443 0.746 2.246 weight 1.000 ! spec=HNH, no=1079, id=852, vol=6.860000e+06
assign (resid 60 and name HN) (resid 56 and name HA) 3.196 1.277 2.777 weight 1.000 ! spec=HNH, no=1080, id=853, vol=1.370000e+06
assign (resid 60 and name HN) (resid 57 and name HA) 2.837 1.006 2.506 weight 1.000 ! spec=HNH, no=1082, id=855, vol=2.800000e+06
assign (resid 60 and name HN) (resid 59 and name HA) 3.018 1.139 2.639 weight 1.000 ! spec=HNH, no=1084, id=857, vol=1.930000e+06
assign (resid 60 and name HN) (resid 59 and name HB2) 2.714 0.921 2.421 weight 1.000 ! spec=HNH, no=1085, id=858, vol=3.650000e+06
assign (resid 60 and name HN) (resid 61 and name HB1) 3.681 1.693 3.193 weight 1.000 ! spec=HNH, no=1086, id=859, vol=5.870000e+05
assign (resid 44 and name HN) (resid 43 and name HB2) 2.755 0.949 2.449 weight 1.000 ! spec=HNH, no=1087, id=860, vol=3.340000e+06
assign (resid 44 and name HN) (resid 44 and name HB1) 2.514 0.790 2.29 weight 1.000 ! spec=HNH, no=1089, id=862, vol=5.780000e+06
assign (resid 44 and name HN) (resid 46 and name HG12) 3.068 1.177 2.677 weight 1.000 ! spec=HNH, no=1092, id=865, vol=1.750000e+06
    or (resid   44 and name   HN) (resid   46 and name HG11)
    or (resid   44 and name   HN) (resid   46 and name HG13)
assign (resid 60 and name HN) (resid 55 and name HG22) 4.249 2.257 3.757 weight 1.000 ! spec=HNH, no=1095, id=866, vol=2.480000e+05
    or (resid   60 and name   HN) (resid   55 and name HG21)
    or (resid   60 and name   HN) (resid   55 and name HG23)
assign (resid 38 and name HN) (resid 37 and name HN) 2.516 0.791 2.291 weight 1.000 ! spec=HNH, no=1103, id=873, vol=5.760000e+06
assign (resid 37 and name HN) (resid 58 and name HE1) 3.735 1.743 3.243 weight 1.000 ! spec=HNH, no=1107, id=877, vol=5.380000e+05
    or (resid   37 and name   HN) (resid   58 and name  HE2)
assign (resid 37 and name HN) (resid 36 and name HA) 3.098 1.200 2.7 weight 1.000 ! spec=HNH, no=1110, id=879, vol=1.650000e+06
assign (resid 37 and name HN) (resid 35 and name HB2) 3.341 1.395 2.895 weight 1.000 ! spec=HNH, no=1117, id=886, vol=1.050000e+06
    or (resid   37 and name   HN) (resid   35 and name  HB1)
assign (resid 37 and name HN) (resid 37 and name HB2) 2.436 0.742 2.242 weight 1.000 ! spec=HNH, no=1120, id=889, vol=6.980000e+06
assign (resid 37 and name HN) (resid 37 and name HB1) 2.320 0.673 2.173 weight 1.000 ! spec=HNH, no=1121, id=890, vol=9.370000e+06
assign (resid 37 and name HN) (resid 37 and name HD22) 2.615 0.855 2.355 weight 1.000 ! spec=HNH, no=1123, id=892, vol=4.560000e+06
    or (resid   37 and name   HN) (resid   37 and name HD21)
    or (resid   37 and name   HN) (resid   37 and name HD23)
    or (resid   37 and name   HN) (resid   37 and name HD12)
    or (resid   37 and name   HN) (resid   37 and name HD11)
    or (resid   37 and name   HN) (resid   37 and name HD13)
assign (resid 37 and name HN) (resid 40 and name HD12) 3.698 1.709 3.209 weight 1.000 ! spec=HNH, no=1124, id=893, vol=5.710000e+05
    or (resid   37 and name   HN) (resid   40 and name HD11)
    or (resid   37 and name   HN) (resid   40 and name HD13)
assign (resid 50 and name HN) (resid 48 and name HN) 3.625 1.643 3.143 weight 1.000 ! spec=HNH, no=1126, id=895, vol=6.430000e+05
assign (resid 50 and name HN) (resid 47 and name HN) 3.263 1.331 2.831 weight 1.000 ! spec=HNH, no=1127, id=896, vol=1.210000e+06
assign (resid 50 and name HN) (resid 47 and name HA) 3.626 1.644 3.144 weight 1.000 ! spec=HNH, no=1132, id=900, vol=6.420000e+05
assign (resid 50 and name HN) (resid 50 and name HA) 2.523 0.796 2.296 weight 1.000 ! spec=HNH, no=1133, id=901, vol=5.660000e+06
assign (resid 50 and name HN) (resid 49 and name HA) 2.967 1.100 2.6 weight 1.000 ! spec=HNH, no=1134, id=902, vol=2.140000e+06
assign (resid 50 and name HN) (resid 47 and name HE2) 4.072 2.073 3.573 weight 1.000 ! spec=HNH, no=1136, id=904, vol=3.200000e+05
    or (resid   50 and name   HN) (resid   47 and name  HE1)
assign (resid 50 and name HN) (resid 50 and name HG2) 2.138 0.571 2.071 weight 1.000 ! spec=HNH, no=1137, id=905, vol=1.530000e+07
assign (resid 50 and name HN) (resid 49 and name HB2) 2.696 0.909 2.409 weight 1.000 ! spec=HNH, no=1138, id=906, vol=3.800000e+06
    or (resid   50 and name   HN) (resid   49 and name  HB1)
assign (resid 50 and name HN) (resid 47 and name HB1) 2.776 0.963 2.463 weight 1.000 ! spec=HNH, no=1140, id=908, vol=3.190000e+06
assign (resid 25 and name HN) (resid 24 and name HN) 2.485 0.772 2.272 weight 1.000 ! spec=HNH, no=1146, id=913, vol=6.200000e+06
assign (resid 25 and name HN) (resid 27 and name HN) 3.054 1.166 2.666 weight 1.000 ! spec=HNH, no=1149, id=916, vol=1.800000e+06
assign (resid 26 and name HN) (resid 25 and name HN) 2.469 0.762 2.262 weight 1.000 ! spec=HNH, no=1159, id=923, vol=6.440000e+06
assign (resid 25 and name HN) (resid 22 and name HA) 2.808 0.985 2.485 weight 1.000 ! spec=HNH, no=1162, id=925, vol=2.980000e+06
assign (resid 25 and name HN) (resid 23 and name HA) 3.564 1.588 3.088 weight 1.000 ! spec=HNH, no=1163, id=926, vol=7.120000e+05
assign (resid 25 and name HN) (resid 78 and name HG) 4.152 2.155 3.655 weight 1.000 ! spec=HNH, no=1175, id=935, vol=2.850000e+05
assign (resid 25 and name HN) (resid 78 and name HD22) 3.662 1.677 3.177 weight 1.000 ! spec=HNH, no=1176, id=936, vol=6.050000e+05
    or (resid   25 and name   HN) (resid   78 and name HD21)
    or (resid   25 and name   HN) (resid   78 and name HD23)
assign (resid 54 and name HN) (resid 55 and name HN) 2.324 0.675 2.175 weight 1.000 ! spec=HNH, no=1180, id=939, vol=9.270000e+06
assign (resid 54 and name HN) (resid 53 and name HA) 2.972 1.104 2.604 weight 1.000 ! spec=HNH, no=1182, id=941, vol=2.120000e+06
assign (resid 54 and name HN) (resid 55 and name HA) 3.639 1.655 3.155 weight 1.000 ! spec=HNH, no=1193, id=951, vol=6.290000e+05
assign (resid 54 and name HN) (resid 58 and name HB2) 4.376 2.393 3.893 weight 1.000 ! spec=HNH, no=1194, id=952, vol=2.080000e+05
assign (resid 54 and name HN) (resid 54 and name HB2) 2.565 0.823 2.323 weight 1.000 ! spec=HNH, no=1198, id=955, vol=5.120000e+06
assign (resid 54 and name HN) (resid 54 and name HG2) 2.544 0.809 2.309 weight 1.000 ! spec=HNH, no=1199, id=956, vol=5.380000e+06
assign (resid 54 and name HN) (resid 51 and name HB1) 3.615 1.634 3.134 weight 1.000 ! spec=HNH, no=1201, id=957, vol=6.540000e+05
assign (resid 68 and name HN) (resid 76 and name HE3) 3.682 1.694 3.194 weight 1.000 ! spec=HNH, no=1207, id=961, vol=5.860000e+05
assign (resid 68 and name HN) (resid 76 and name HZ3) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=1208, id=962, vol=2.680000e+05
assign (resid 68 and name HN) (resid 65 and name HB2) 3.575 1.598 3.098 weight 1.000 ! spec=HNH, no=1215, id=967, vol=6.990000e+05
assign (resid 68 and name HN) (resid 79 and name HG1) 3.925 1.926 3.426 weight 1.000 ! spec=HNH, no=1219, id=971, vol=3.990000e+05
assign (resid 68 and name HN) (resid 62 and name HD12) 3.767 1.774 3.274 weight 1.000 ! spec=HNH, no=1221, id=972, vol=5.110000e+05
    or (resid   68 and name   HN) (resid   62 and name HD11)
    or (resid   68 and name   HN) (resid   62 and name HD13)
assign (resid 59 and name HN) (resid 61 and name HN) 3.617 1.635 3.135 weight 1.000 ! spec=HNH, no=1222, id=973, vol=6.520000e+05
assign (resid 59 and name HN) (resid 33 and name HZ) 2.919 1.065 2.565 weight 1.000 ! spec=HNH, no=1229, id=977, vol=2.360000e+06
assign (resid 59 and name HN) (resid 33 and name HE1) 3.505 1.536 3.036 weight 1.000 ! spec=HNH, no=1230, id=978, vol=7.870000e+05
    or (resid   59 and name   HN) (resid   33 and name  HE2)
assign (resid 59 and name HN) (resid 58 and name HA) 3.373 1.422 2.922 weight 1.000 ! spec=HNH, no=1233, id=981, vol=9.910000e+05
assign (resid 59 and name HN) (resid 57 and name HA) 3.911 1.912 3.412 weight 1.000 ! spec=HNH, no=1236, id=984, vol=4.080000e+05
assign (resid 59 and name HN) (resid 55 and name HA) 3.208 1.286 2.786 weight 1.000 ! spec=HNH, no=1237, id=985, vol=1.340000e+06
assign (resid 59 and name HN) (resid 55 and name HB) 4.026 2.026 3.526 weight 1.000 ! spec=HNH, no=1242, id=990, vol=3.430000e+05
assign (resid 59 and name HN) (resid 56 and name HB2) 3.346 1.400 2.9 weight 1.000 ! spec=HNH, no=1243, id=991, vol=1.040000e+06
    or (resid   59 and name   HN) (resid   56 and name  HB1)
    or (resid   59 and name   HN) (resid   56 and name  HB3)
assign (resid 59 and name HN) (resid 17 and name HG22) 3.821 1.825 3.325 weight 1.000 ! spec=HNH, no=1247, id=994, vol=4.690000e+05
    or (resid   59 and name   HN) (resid   17 and name HG21)
    or (resid   59 and name   HN) (resid   17 and name HG23)
    or (resid   59 and name   HN) (resid   17 and name HG12)
    or (resid   59 and name   HN) (resid   17 and name HG11)
    or (resid   59 and name   HN) (resid   17 and name HG13)
assign (resid 59 and name HN) (resid 51 and name HD22) 3.988 1.988 3.488 weight 1.000 ! spec=HNH, no=1248, id=995, vol=3.630000e+05
    or (resid   59 and name   HN) (resid   51 and name HD21)
    or (resid   59 and name   HN) (resid   51 and name HD23)
    or (resid   59 and name   HN) (resid   51 and name HD12)
    or (resid   59 and name   HN) (resid   51 and name HD11)
    or (resid   59 and name   HN) (resid   51 and name HD13)
assign (resid 21 and name HN) (resid 20 and name HN) 2.523 0.796 2.296 weight 1.000 ! spec=HNH, no=1252, id=998, vol=5.660000e+06
assign (resid 20 and name HN) (resid 19 and name HN) 2.487 0.773 2.273 weight 1.000 ! spec=HNH, no=1256, id=1002, vol=6.170000e+06
assign (resid 20 and name HN) (resid 18 and name HN) 3.045 1.159 2.659 weight 1.000 ! spec=HNH, no=1257, id=1003, vol=1.830000e+06
assign (resid 20 and name HN) (resid 58 and name HE1) 3.295 1.357 2.857 weight 1.000 ! spec=HNH, no=1258, id=1004, vol=1.140000e+06
    or (resid   20 and name   HN) (resid   58 and name  HE2)
assign (resid 20 and name HN) (resid 21 and name HA) 3.787 1.792 3.292 weight 1.000 ! spec=HNH, no=1259, id=1005, vol=4.950000e+05
assign (resid 20 and name HN) (resid 19 and name HA) 3.048 1.161 2.661 weight 1.000 ! spec=HNH, no=1262, id=1008, vol=1.820000e+06
assign (resid 20 and name HN) (resid 94 and name HG1) 3.784 1.790 3.29 weight 1.000 ! spec=HNH, no=1264, id=1010, vol=4.970000e+05
assign (resid 20 and name HN) (resid 19 and name HB) 2.460 0.757 2.257 weight 1.000 ! spec=HNH, no=1265, id=1011, vol=6.580000e+06
assign (resid 20 and name HN) (resid 17 and name HG22) 3.396 1.441 2.941 weight 1.000 ! spec=HNH, no=1268, id=1014, vol=9.520000e+05
    or (resid   20 and name   HN) (resid   17 and name HG21)
    or (resid   20 and name   HN) (resid   17 and name HG23)
    or (resid   20 and name   HN) (resid   17 and name HG12)
    or (resid   20 and name   HN) (resid   17 and name HG11)
    or (resid   20 and name   HN) (resid   17 and name HG13)
assign (resid 20 and name HN) (resid 19 and name HG22) 2.592 0.840 2.34 weight 1.000 ! spec=HNH, no=1269, id=1015, vol=4.810000e+06
    or (resid   20 and name   HN) (resid   19 and name HG21)
    or (resid   20 and name   HN) (resid   19 and name HG23)
assign (resid 20 and name HN) (resid 40 and name HG11) 3.290 1.353 2.853 weight 1.000 ! spec=HNH, no=1270, id=1016, vol=1.150000e+06
assign (resid 24 and name HN) (resid 81 and name HH2) 3.903 1.904 3.404 weight 1.000 ! spec=HNH, no=1281, id=1024, vol=4.130000e+05
assign (resid 24 and name HN) (resid 24 and name HA) 2.726 0.929 2.429 weight 1.000 ! spec=HNH, no=1282, id=1025, vol=3.560000e+06
assign (resid 24 and name HN) (resid 25 and name HA) 3.792 1.797 3.297 weight 1.000 ! spec=HNH, no=1283, id=1026, vol=4.910000e+05
assign (resid 24 and name HN) (resid 23 and name HA) 3.127 1.223 2.723 weight 1.000 ! spec=HNH, no=1285, id=1028, vol=1.560000e+06
assign (resid 24 and name HN) (resid 27 and name HB2) 3.780 1.786 3.286 weight 1.000 ! spec=HNH, no=1289, id=1032, vol=5.000000e+05
assign (resid 24 and name HN) (resid 25 and name HB2) 3.281 1.346 2.846 weight 1.000 ! spec=HNH, no=1295, id=1038, vol=1.170000e+06
    or (resid   24 and name   HN) (resid   25 and name  HB1)
assign (resid 24 and name HN) (resid 23 and name HB2) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=1296, id=1039, vol=3.380000e+06
assign (resid 24 and name HN) (resid 23 and name HG) 3.370 1.419 2.919 weight 1.000 ! spec=HNH, no=1297, id=1040, vol=9.970000e+05
assign (resid 24 and name HN) (resid 20 and name HB2) 3.617 1.635 3.135 weight 1.000 ! spec=HNH, no=1298, id=1041, vol=6.520000e+05
    or (resid   24 and name   HN) (resid   20 and name  HB1)
    or (resid   24 and name   HN) (resid   20 and name  HB3)
assign (resid 24 and name HN) (resid 23 and name HB1) 2.885 1.041 2.541 weight 1.000 ! spec=HNH, no=1299, id=1042, vol=2.530000e+06
assign (resid 24 and name HN) (resid 78 and name HD12) 3.300 1.361 2.861 weight 1.000 ! spec=HNH, no=1302, id=1043, vol=1.130000e+06
    or (resid   24 and name   HN) (resid   78 and name HD11)
    or (resid   24 and name   HN) (resid   78 and name HD13)
assign (resid 24 and name HN) (resid 78 and name HG) 3.511 1.541 3.041 weight 1.000 ! spec=HNH, no=1303, id=1044, vol=7.790000e+05
assign (resid 67 and name HN) (resid 68 and name HD1) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=1307, id=1047, vol=1.220000e+06
    or (resid   67 and name   HN) (resid   68 and name  HD2)
assign (resid 67 and name HN) (resid 67 and name HA) 2.934 1.076 2.576 weight 1.000 ! spec=HNH, no=1310, id=1049, vol=2.290000e+06
assign (resid 67 and name HN) (resid 65 and name HB2) 3.699 1.710 3.21 weight 1.000 ! spec=HNH, no=1312, id=1050, vol=5.700000e+05
assign (resid 67 and name HN) (resid 67 and name HD2) 3.513 1.543 3.043 weight 1.000 ! spec=HNH, no=1313, id=1051, vol=7.760000e+05
assign (resid 67 and name HN) (resid 65 and name HB1) 3.900 1.901 3.401 weight 1.000 ! spec=HNH, no=1314, id=1052, vol=4.150000e+05
assign (resid 7 and name HN) (resid 8 and name HN) 3.566 1.589 3.089 weight 1.000 ! spec=HNH, no=1323, id=1058, vol=7.100000e+05
assign (resid 7 and name HN) (resid 10 and name HN) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=1324, id=1059, vol=1.700000e+06
assign (resid 7 and name HN) (resid 6 and name HA) 2.142 0.574 2.074 weight 1.000 ! spec=HNH, no=1327, id=1062, vol=1.510000e+07
assign (resid 7 and name HN) (resid 10 and name HA) 3.389 1.435 2.935 weight 1.000 ! spec=HNH, no=1331, id=1065, vol=9.640000e+05
assign (resid 7 and name HN) (resid 10 and name HB2) 2.743 0.940 2.44 weight 1.000 ! spec=HNH, no=1334, id=1068, vol=3.430000e+06
assign (resid 7 and name HN) (resid 10 and name HG2) 2.986 1.114 2.614 weight 1.000 ! spec=HNH, no=1335, id=1069, vol=2.060000e+06
    or (resid    7 and name   HN) (resid   10 and name  HG1)
assign (resid 7 and name HN) (resid 8 and name HB1) 4.255 2.263 3.763 weight 1.000 ! spec=HNH, no=1336, id=1070, vol=2.460000e+05
assign (resid 8 and name HN) (resid 7 and name HA) 2.348 0.689 2.189 weight 1.000 ! spec=HNH, no=1344, id=1077, vol=8.700000e+06
assign (resid 8 and name HN) (resid 7 and name HB1) 2.929 1.073 2.573 weight 1.000 ! spec=HNH, no=1347, id=1080, vol=2.310000e+06
assign (resid 8 and name HN) (resid 8 and name HA) 2.617 0.856 2.356 weight 1.000 ! spec=HNH, no=1348, id=1081, vol=4.540000e+06
assign (resid 8 and name HN) (resid 8 and name HB2) 2.437 0.743 2.243 weight 1.000 ! spec=HNH, no=1351, id=1084, vol=6.960000e+06
assign (resid 8 and name HN) (resid 11 and name HD12) 3.629 1.646 3.146 weight 1.000 ! spec=HNH, no=1355, id=1087, vol=6.390000e+05
    or (resid    8 and name   HN) (resid   11 and name HD11)
    or (resid    8 and name   HN) (resid   11 and name HD13)
assign (resid 3 and name HN) (resid 3 and name HA) 3.134 1.228 2.728 weight 1.000 ! spec=HNH, no=1363, id=1094, vol=1.540000e+06
assign (resid 48 and name HN) (resid 47 and name HN) 3.212 1.289 2.789 weight 1.000 ! spec=HNH, no=1371, id=1101, vol=1.330000e+06
assign (resid 48 and name HN) (resid 51 and name HN) 4.393 2.413 3.913 weight 1.000 ! spec=HNH, no=1373, id=1103, vol=2.030000e+05
assign (resid 48 and name HN) (resid 47 and name HA) 2.180 0.594 2.094 weight 1.000 ! spec=HNH, no=1376, id=1105, vol=1.360000e+07
assign (resid 48 and name HN) (resid 49 and name HA) 3.892 1.893 3.393 weight 1.000 ! spec=HNH, no=1377, id=1106, vol=4.200000e+05
assign (resid 48 and name HN) (resid 48 and name HA) 2.576 0.829 2.329 weight 1.000 ! spec=HNH, no=1378, id=1107, vol=5.000000e+06
assign (resid 48 and name HN) (resid 48 and name HE2) 3.295 1.357 2.857 weight 1.000 ! spec=HNH, no=1379, id=1108, vol=1.140000e+06
    or (resid   48 and name   HN) (resid   48 and name  HE1)
assign (resid 48 and name HN) (resid 50 and name HG2) 3.510 1.540 3.04 weight 1.000 ! spec=HNH, no=1380, id=1109, vol=7.800000e+05
assign (resid 48 and name HN) (resid 47 and name HB2) 2.680 0.898 2.398 weight 1.000 ! spec=HNH, no=1381, id=1110, vol=3.940000e+06
assign (resid 48 and name HN) (resid 48 and name HD2) 2.340 0.685 2.185 weight 1.000 ! spec=HNH, no=1383, id=1112, vol=8.880000e+06
    or (resid   48 and name   HN) (resid   48 and name  HD1)
assign (resid 48 and name HN) (resid 37 and name HD22) 3.418 1.461 2.961 weight 1.000 ! spec=HNH, no=1385, id=1114, vol=9.150000e+05
    or (resid   48 and name   HN) (resid   37 and name HD21)
    or (resid   48 and name   HN) (resid   37 and name HD23)
    or (resid   48 and name   HN) (resid   37 and name HD12)
    or (resid   48 and name   HN) (resid   37 and name HD11)
    or (resid   48 and name   HN) (resid   37 and name HD13)
assign (resid 53 and name HN) (resid 54 and name HN) 3.188 1.271 2.771 weight 1.000 ! spec=HNH, no=1387, id=1116, vol=1.390000e+06
assign (resid 53 and name HN) (resid 53 and name HA) 3.290 1.353 2.853 weight 1.000 ! spec=HNH, no=1393, id=1121, vol=1.150000e+06
assign (resid 53 and name HN) (resid 52 and name HA1) 3.054 1.166 2.666 weight 1.000 ! spec=HNH, no=1396, id=1124, vol=1.800000e+06
assign (resid 53 and name HN) (resid 54 and name HB1) 4.362 2.378 3.878 weight 1.000 ! spec=HNH, no=1397, id=1125, vol=2.120000e+05
assign (resid 61 and name HN) (resid 63 and name HN) 3.413 1.456 2.956 weight 1.000 ! spec=HNH, no=1404, id=1130, vol=9.240000e+05
assign (resid 69 and name HN) (resid 76 and name HZ3) 3.541 1.568 3.068 weight 1.000 ! spec=HNH, no=1406, id=1132, vol=7.400000e+05
assign (resid 61 and name HN) (resid 58 and name HE1) 4.401 2.421 3.921 weight 1.000 ! spec=HNH, no=1407, id=1133, vol=2.010000e+05
    or (resid   61 and name   HN) (resid   58 and name  HE2)
assign (resid 61 and name HN) (resid 58 and name HA) 3.114 1.212 2.712 weight 1.000 ! spec=HNH, no=1408, id=1134, vol=1.600000e+06
assign (resid 61 and name HN) (resid 57 and name HA) 3.335 1.391 2.891 weight 1.000 ! spec=HNH, no=1413, id=1139, vol=1.060000e+06
assign (resid 61 and name HN) (resid 61 and name HB2) 2.582 0.833 2.333 weight 1.000 ! spec=HNH, no=1417, id=1143, vol=4.930000e+06
assign (resid 61 and name HN) (resid 17 and name HB) 3.939 1.939 3.439 weight 1.000 ! spec=HNH, no=1419, id=1145, vol=3.910000e+05
assign (resid 69 and name HN) (resid 77 and name HN) 2.772 0.960 2.46 weight 1.000 ! spec=HNH, no=1435, id=1159, vol=3.220000e+06
assign (resid 69 and name HN) (resid 76 and name HE3) 3.108 1.207 2.707 weight 1.000 ! spec=HNH, no=1437, id=1161, vol=1.620000e+06
assign (resid 69 and name HN) (resid 69 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=1440, id=1164, vol=1.690000e+06
assign (resid 69 and name HN) (resid 78 and name HD22) 3.577 1.599 3.099 weight 1.000 ! spec=HNH, no=1446, id=1169, vol=6.970000e+05
    or (resid   69 and name   HN) (resid   78 and name HD21)
    or (resid   69 and name   HN) (resid   78 and name HD23)
assign (resid 31 and name HN) (resid 76 and name HN) 2.824 0.997 2.497 weight 1.000 ! spec=HNH, no=1448, id=1171, vol=2.880000e+06
assign (resid 76 and name HN) (resid 76 and name HA) 3.105 1.205 2.705 weight 1.000 ! spec=HNH, no=1459, id=1179, vol=1.630000e+06
assign (resid 76 and name HN) (resid 75 and name HA) 2.701 0.912 2.412 weight 1.000 ! spec=HNH, no=1460, id=1180, vol=3.760000e+06
assign (resid 76 and name HN) (resid 74 and name HA) 3.909 1.910 3.41 weight 1.000 ! spec=HNH, no=1461, id=1181, vol=4.090000e+05
assign (resid 76 and name HN) (resid 75 and name HB) 2.702 0.913 2.413 weight 1.000 ! spec=HNH, no=1462, id=1182, vol=3.750000e+06
assign (resid 76 and name HN) (resid 70 and name HA) 3.947 1.947 3.447 weight 1.000 ! spec=HNH, no=1463, id=1183, vol=3.860000e+05
assign (resid 76 and name HN) (resid 76 and name HB2) 2.736 0.936 2.436 weight 1.000 ! spec=HNH, no=1464, id=1184, vol=3.480000e+06
    or (resid   76 and name   HN) (resid   76 and name  HB1)
assign (resid 42 and name HN) (resid 41 and name HN) 2.398 0.719 2.219 weight 1.000 ! spec=HNH, no=1475, id=1192, vol=7.670000e+06
assign (resid 41 and name HN) (resid 41 and name HA) 2.475 0.766 2.266 weight 1.000 ! spec=HNH, no=1481, id=1198, vol=6.350000e+06
assign (resid 41 and name HN) (resid 37 and name HA) 2.839 1.007 2.507 weight 1.000 ! spec=HNH, no=1482, id=1199, vol=2.790000e+06
assign (resid 41 and name HN) (resid 40 and name HA) 3.059 1.170 2.67 weight 1.000 ! spec=HNH, no=1483, id=1200, vol=1.780000e+06
assign (resid 41 and name HN) (resid 38 and name HB2) 4.114 2.116 3.616 weight 1.000 ! spec=HNH, no=1484, id=1201, vol=3.010000e+05
assign (resid 41 and name HN) (resid 40 and name HB) 2.475 0.766 2.266 weight 1.000 ! spec=HNH, no=1487, id=1204, vol=6.350000e+06
assign (resid 41 and name HN) (resid 37 and name HD22) 2.685 0.901 2.401 weight 1.000 ! spec=HNH, no=1492, id=1209, vol=3.900000e+06
    or (resid   41 and name   HN) (resid   37 and name HD21)
    or (resid   41 and name   HN) (resid   37 and name HD23)
    or (resid   41 and name   HN) (resid   37 and name HD12)
    or (resid   41 and name   HN) (resid   37 and name HD11)
    or (resid   41 and name   HN) (resid   37 and name HD13)
assign (resid 23 and name HN) (resid 25 and name HN) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=1499, id=1211, vol=1.220000e+06
assign (resid 23 and name HN) (resid 26 and name HN) 4.004 2.004 3.504 weight 1.000 ! spec=HNH, no=1503, id=1215, vol=3.540000e+05
assign (resid 23 and name HN) (resid 19 and name HN) 3.850 1.853 3.353 weight 1.000 ! spec=HNH, no=1504, id=1216, vol=4.480000e+05
assign (resid 23 and name HN) (resid 23 and name HA) 2.639 0.871 2.371 weight 1.000 ! spec=HNH, no=1507, id=1219, vol=4.320000e+06
assign (resid 23 and name HN) (resid 24 and name HB1) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=1515, id=1226, vol=4.870000e+05
assign (resid 23 and name HN) (resid 22 and name HB2) 2.685 0.901 2.401 weight 1.000 ! spec=HNH, no=1518, id=1229, vol=3.900000e+06
    or (resid   23 and name   HN) (resid   22 and name  HB1)
assign (resid 23 and name HN) (resid 23 and name HB2) 2.543 0.808 2.308 weight 1.000 ! spec=HNH, no=1520, id=1231, vol=5.400000e+06
assign (resid 23 and name HN) (resid 20 and name HB2) 3.540 1.566 3.066 weight 1.000 ! spec=HNH, no=1522, id=1233, vol=7.420000e+05
    or (resid   23 and name   HN) (resid   20 and name  HB1)
    or (resid   23 and name   HN) (resid   20 and name  HB3)
assign (resid 23 and name HN) (resid 23 and name HB1) 2.727 0.929 2.429 weight 1.000 ! spec=HNH, no=1523, id=1234, vol=3.550000e+06
assign (resid 23 and name HN) (resid 17 and name HG22) 4.208 2.213 3.713 weight 1.000 ! spec=HNH, no=1527, id=1238, vol=2.630000e+05
    or (resid   23 and name   HN) (resid   17 and name HG21)
    or (resid   23 and name   HN) (resid   17 and name HG23)
    or (resid   23 and name   HN) (resid   17 and name HG12)
    or (resid   23 and name   HN) (resid   17 and name HG11)
    or (resid   23 and name   HN) (resid   17 and name HG13)
assign (resid 47 and name HN) (resid 46 and name HA) 2.265 0.641 2.141 weight 1.000 ! spec=HNH, no=1540, id=1249, vol=1.080000e+07
assign (resid 47 and name HN) (resid 49 and name HA) 4.325 2.338 3.838 weight 1.000 ! spec=HNH, no=1541, id=1250, vol=2.230000e+05
assign (resid 47 and name HN) (resid 46 and name HB) 2.202 0.606 2.106 weight 1.000 ! spec=HNH, no=1543, id=1252, vol=1.280000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 2.658 0.883 2.383 weight 1.000 ! spec=HNH, no=1544, id=1253, vol=4.140000e+06
assign (resid 5 and name HN) (resid 4 and name HN) 2.436 0.742 2.242 weight 1.000 ! spec=HNH, no=1558, id=1264, vol=6.980000e+06
assign (resid 4 and name HN) (resid 4 and name HA) 2.296 0.659 2.159 weight 1.000 ! spec=HNH, no=1563, id=1268, vol=9.970000e+06
assign (resid 4 and name HN) (resid 4 and name HB1) 2.283 0.652 2.152 weight 1.000 ! spec=HNH, no=1567, id=1272, vol=1.030000e+07
assign (resid 86 and name HN) (resid 86 and name HE22) 3.833 1.837 3.337 weight 1.000 ! spec=HNH, no=1576, id=1278, vol=4.600000e+05
assign (resid 86 and name HN) (resid 86 and name HA) 2.406 0.723 2.223 weight 1.000 ! spec=HNH, no=1579, id=1280, vol=7.530000e+06
assign (resid 86 and name HN) (resid 85 and name HB2) 2.601 0.846 2.346 weight 1.000 ! spec=HNH, no=1580, id=1281, vol=4.710000e+06
    or (resid   86 and name   HN) (resid   85 and name  HB1)
assign (resid 86 and name HN) (resid 92 and name HG2) 2.549 0.812 2.312 weight 1.000 ! spec=HNH, no=1581, id=1282, vol=5.320000e+06
    or (resid   86 and name   HN) (resid   92 and name  HG1)
assign (resid 86 and name HN) (resid 86 and name HB2) 2.605 0.848 2.348 weight 1.000 ! spec=HNH, no=1582, id=1283, vol=4.670000e+06
assign (resid 62 and name HN) (resid 63 and name HN) 2.551 0.813 2.313 weight 1.000 ! spec=HNH, no=1589, id=1290, vol=5.300000e+06
assign (resid 62 and name HN) (resid 58 and name HE1) 3.975 1.975 3.475 weight 1.000 ! spec=HNH, no=1590, id=1291, vol=3.700000e+05
    or (resid   62 and name   HN) (resid   58 and name  HE2)
assign (resid 62 and name HN) (resid 58 and name HA) 3.426 1.467 2.967 weight 1.000 ! spec=HNH, no=1591, id=1292, vol=9.030000e+05
assign (resid 62 and name HN) (resid 60 and name HA) 3.832 1.836 3.336 weight 1.000 ! spec=HNH, no=1592, id=1293, vol=4.610000e+05
assign (resid 62 and name HN) (resid 61 and name HB2) 2.789 0.972 2.472 weight 1.000 ! spec=HNH, no=1595, id=1296, vol=3.100000e+06
assign (resid 62 and name HN) (resid 61 and name HB1) 2.893 1.046 2.546 weight 1.000 ! spec=HNH, no=1596, id=1297, vol=2.490000e+06
assign (resid 62 and name HN) (resid 60 and name HG21) 3.898 1.899 3.399 weight 1.000 ! spec=HNH, no=1598, id=1299, vol=4.160000e+05
    or (resid   62 and name   HN) (resid   60 and name HG22)
    or (resid   62 and name   HN) (resid   60 and name HG23)
assign (resid 62 and name HN) (resid 17 and name HG22) 3.108 1.207 2.707 weight 1.000 ! spec=HNH, no=1600, id=1300, vol=1.620000e+06
    or (resid   62 and name   HN) (resid   17 and name HG21)
    or (resid   62 and name   HN) (resid   17 and name HG23)
    or (resid   62 and name   HN) (resid   17 and name HG12)
    or (resid   62 and name   HN) (resid   17 and name HG11)
    or (resid   62 and name   HN) (resid   17 and name HG13)
assign (resid 62 and name HN) (resid 64 and name HD12) 3.868 1.870 3.37 weight 1.000 ! spec=HNH, no=1601, id=1301, vol=4.360000e+05
    or (resid   62 and name   HN) (resid   64 and name HD11)
    or (resid   62 and name   HN) (resid   64 and name HD13)
assign (resid 62 and name HN) (resid 62 and name HB2) 2.516 0.791 2.291 weight 1.000 ! spec=HNH, no=1602, id=1302, vol=5.750000e+06
assign (resid 62 and name HN) (resid 62 and name HB1) 2.755 0.949 2.449 weight 1.000 ! spec=HNH, no=1604, id=1304, vol=3.340000e+06
assign (resid 12 and name HN) (resid 11 and name HN) 2.196 0.603 2.103 weight 1.000 ! spec=HNH, no=1617, id=1316, vol=1.300000e+07
assign (resid 11 and name HN) (resid 6 and name HB2) 3.141 1.233 2.733 weight 1.000 ! spec=HNH, no=1626, id=1325, vol=1.520000e+06
assign (resid 11 and name HN) (resid 10 and name HB2) 2.740 0.938 2.438 weight 1.000 ! spec=HNH, no=1630, id=1328, vol=3.450000e+06
assign (resid 11 and name HN) (resid 8 and name HB1) 3.610 1.629 3.129 weight 1.000 ! spec=HNH, no=1632, id=1330, vol=6.600000e+05
assign (resid 11 and name HN) (resid 11 and name HG) 2.418 0.731 2.231 weight 1.000 ! spec=HNH, no=1634, id=1332, vol=7.300000e+06
assign (resid 11 and name HN) (resid 11 and name HB1) 2.681 0.899 2.399 weight 1.000 ! spec=HNH, no=1637, id=1335, vol=3.930000e+06
assign (resid 11 and name HN) (resid 11 and name HD22) 2.671 0.892 2.392 weight 1.000 ! spec=HNH, no=1638, id=1336, vol=4.020000e+06
    or (resid   11 and name   HN) (resid   11 and name HD21)
    or (resid   11 and name   HN) (resid   11 and name HD23)
assign (resid 11 and name HN) (resid 44 and name HD22) 3.330 1.386 2.886 weight 1.000 ! spec=HNH, no=1639, id=1337, vol=1.070000e+06
    or (resid   11 and name   HN) (resid   44 and name HD21)
    or (resid   11 and name   HN) (resid   44 and name HD23)
    or (resid   11 and name   HN) (resid   44 and name HD12)
    or (resid   11 and name   HN) (resid   44 and name HD11)
    or (resid   11 and name   HN) (resid   44 and name HD13)
assign (resid 58 and name HN) (resid 61 and name HN) 3.909 1.910 3.41 weight 1.000 ! spec=HNH, no=1640, id=1338, vol=4.090000e+05
assign (resid 59 and name HN) (resid 58 and name HN) 2.561 0.820 2.32 weight 1.000 ! spec=HNH, no=1642, id=1339, vol=5.170000e+06
assign (resid 58 and name HN) (resid 57 and name HN) 2.490 0.775 2.275 weight 1.000 ! spec=HNH, no=1646, id=1342, vol=6.120000e+06
assign (resid 58 and name HN) (resid 55 and name HN) 3.591 1.612 3.112 weight 1.000 ! spec=HNH, no=1648, id=1343, vol=6.810000e+05
assign (resid 58 and name HN) (resid 58 and name HD1) 2.967 1.100 2.6 weight 1.000 ! spec=HNH, no=1650, id=1345, vol=2.140000e+06
    or (resid   58 and name   HN) (resid   58 and name  HD2)
assign (resid 58 and name HN) (resid 58 and name HA) 2.777 0.964 2.464 weight 1.000 ! spec=HNH, no=1651, id=1346, vol=3.180000e+06
assign (resid 58 and name HN) (resid 56 and name HA) 3.697 1.708 3.208 weight 1.000 ! spec=HNH, no=1653, id=1348, vol=5.720000e+05
assign (resid 58 and name HN) (resid 57 and name HA) 3.192 1.274 2.774 weight 1.000 ! spec=HNH, no=1654, id=1349, vol=1.380000e+06
assign (resid 58 and name HN) (resid 59 and name HB1) 3.829 1.833 3.333 weight 1.000 ! spec=HNH, no=1660, id=1354, vol=4.630000e+05
assign (resid 58 and name HN) (resid 57 and name HB2) 2.956 1.092 2.592 weight 1.000 ! spec=HNH, no=1663, id=1357, vol=2.190000e+06
assign (resid 58 and name HN) (resid 56 and name HB2) 3.369 1.419 2.919 weight 1.000 ! spec=HNH, no=1667, id=1360, vol=9.980000e+05
    or (resid   58 and name   HN) (resid   56 and name  HB1)
    or (resid   58 and name   HN) (resid   56 and name  HB3)
assign (resid 58 and name HN) (resid 55 and name HG22) 3.589 1.610 3.11 weight 1.000 ! spec=HNH, no=1670, id=1362, vol=6.830000e+05
    or (resid   58 and name   HN) (resid   55 and name HG21)
    or (resid   58 and name   HN) (resid   55 and name HG23)
assign (resid 58 and name HN) (resid 51 and name HD22) 3.777 1.783 3.283 weight 1.000 ! spec=HNH, no=1672, id=1364, vol=5.030000e+05
    or (resid   58 and name   HN) (resid   51 and name HD21)
    or (resid   58 and name   HN) (resid   51 and name HD23)
    or (resid   58 and name   HN) (resid   51 and name HD12)
    or (resid   58 and name   HN) (resid   51 and name HD11)
    or (resid   58 and name   HN) (resid   51 and name HD13)
assign (resid 10 and name HN) (resid 11 and name HN) 2.340 0.684 2.184 weight 1.000 ! spec=HNH, no=1677, id=1368, vol=8.890000e+06
assign (resid 10 and name HN) (resid 6 and name HD1) 3.533 1.560 3.06 weight 1.000 ! spec=HNH, no=1681, id=1370, vol=7.510000e+05
    or (resid   10 and name   HN) (resid    6 and name  HD2)
assign (resid 10 and name HN) (resid 10 and name HA) 2.499 0.781 2.281 weight 1.000 ! spec=HNH, no=1687, id=1376, vol=5.990000e+06
assign (resid 10 and name HN) (resid 10 and name HB2) 2.353 0.692 2.192 weight 1.000 ! spec=HNH, no=1690, id=1378, vol=8.590000e+06
assign (resid 10 and name HN) (resid 44 and name HD22) 4.056 2.056 3.556 weight 1.000 ! spec=HNH, no=1697, id=1384, vol=3.280000e+05
    or (resid   10 and name   HN) (resid   44 and name HD21)
    or (resid   10 and name   HN) (resid   44 and name HD23)
    or (resid   10 and name   HN) (resid   44 and name HD12)
    or (resid   10 and name   HN) (resid   44 and name HD11)
    or (resid   10 and name   HN) (resid   44 and name HD13)
assign (resid 55 and name HN) (resid 54 and name HE) 3.847 1.850 3.35 weight 1.000 ! spec=HNH, no=1715, id=1397, vol=4.500000e+05
assign (resid 55 and name HN) (resid 54 and name HA) 3.188 1.271 2.771 weight 1.000 ! spec=HNH, no=1718, id=1400, vol=1.390000e+06
assign (resid 55 and name HN) (resid 56 and name HA) 3.641 1.658 3.158 weight 1.000 ! spec=HNH, no=1720, id=1402, vol=6.260000e+05
assign (resid 55 and name HN) (resid 58 and name HB1) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=1724, id=1406, vol=3.580000e+05
assign (resid 55 and name HN) (resid 53 and name HB2) 4.252 2.260 3.76 weight 1.000 ! spec=HNH, no=1726, id=1408, vol=2.470000e+05
assign (resid 55 and name HN) (resid 55 and name HB) 2.355 0.693 2.193 weight 1.000 ! spec=HNH, no=1729, id=1411, vol=8.550000e+06
assign (resid 55 and name HN) (resid 56 and name HB2) 3.200 1.280 2.78 weight 1.000 ! spec=HNH, no=1733, id=1414, vol=1.360000e+06
    or (resid   55 and name   HN) (resid   56 and name  HB1)
    or (resid   55 and name   HN) (resid   56 and name  HB3)
assign (resid 55 and name HN) (resid 51 and name HB1) 3.619 1.637 3.137 weight 1.000 ! spec=HNH, no=1734, id=1415, vol=6.500000e+05
assign (resid 55 and name HN) (resid 55 and name HG22) 2.776 0.963 2.463 weight 1.000 ! spec=HNH, no=1736, id=1417, vol=3.190000e+06
    or (resid   55 and name   HN) (resid   55 and name HG21)
    or (resid   55 and name   HN) (resid   55 and name HG23)
assign (resid 17 and name HN) (resid 19 and name HN) 3.518 1.547 3.047 weight 1.000 ! spec=HNH, no=1739, id=1420, vol=7.700000e+05
assign (resid 19 and name HN) (resid 21 and name HN) 3.295 1.357 2.857 weight 1.000 ! spec=HNH, no=1742, id=1422, vol=1.140000e+06
assign (resid 19 and name HN) (resid 20 and name HA) 3.856 1.859 3.359 weight 1.000 ! spec=HNH, no=1748, id=1427, vol=4.440000e+05
assign (resid 19 and name HN) (resid 19 and name HA) 2.808 0.985 2.485 weight 1.000 ! spec=HNH, no=1750, id=1429, vol=2.980000e+06
assign (resid 19 and name HN) (resid 17 and name HG22) 3.369 1.418 2.918 weight 1.000 ! spec=HNH, no=1758, id=1436, vol=9.990000e+05
    or (resid   19 and name   HN) (resid   17 and name HG21)
    or (resid   19 and name   HN) (resid   17 and name HG23)
    or (resid   19 and name   HN) (resid   17 and name HG12)
    or (resid   19 and name   HN) (resid   17 and name HG11)
    or (resid   19 and name   HN) (resid   17 and name HG13)
assign (resid 19 and name HN) (resid 40 and name HD12) 3.646 1.662 3.162 weight 1.000 ! spec=HNH, no=1762, id=1438, vol=6.210000e+05
    or (resid   19 and name   HN) (resid   40 and name HD11)
    or (resid   19 and name   HN) (resid   40 and name HD13)
assign (resid 6 and name HN) (resid 6 and name HA) 2.579 0.831 2.331 weight 1.000 ! spec=HNH, no=1770, id=1443, vol=4.960000e+06
assign (resid 6 and name HN) (resid 6 and name HB2) 2.625 0.861 2.361 weight 1.000 ! spec=HNH, no=1773, id=1446, vol=4.460000e+06
assign (resid 6 and name HN) (resid 3 and name HB) 2.983 1.113 2.613 weight 1.000 ! spec=HNH, no=1780, id=1453, vol=2.070000e+06
assign (resid 6 and name HN) (resid 5 and name HG1) 2.827 0.999 2.499 weight 1.000 ! spec=HNH, no=1781, id=1454, vol=2.860000e+06
assign (resid 14 and name HN) (resid 13 and name HA) 2.663 0.887 2.387 weight 1.000 ! spec=HNH, no=1792, id=1464, vol=4.090000e+06
assign (resid 14 and name HN) (resid 14 and name HA) 2.504 0.784 2.284 weight 1.000 ! spec=HNH, no=1794, id=1466, vol=5.920000e+06
assign (resid 14 and name HN) (resid 13 and name HG1) 2.842 1.010 2.51 weight 1.000 ! spec=HNH, no=1798, id=1469, vol=2.770000e+06
assign (resid 14 and name HN) (resid 14 and name HB2) 2.169 0.588 2.088 weight 1.000 ! spec=HNH, no=1799, id=1470, vol=1.400000e+07
    or (resid   14 and name   HN) (resid   14 and name  HB1)
assign (resid 14 and name HN) (resid 19 and name HG12) 3.305 1.365 2.865 weight 1.000 ! spec=HNH, no=1800, id=1471, vol=1.120000e+06
assign (resid 14 and name HN) (resid 3 and name HD12) 4.328 2.342 3.842 weight 1.000 ! spec=HNH, no=1802, id=1473, vol=2.220000e+05
    or (resid   14 and name   HN) (resid    3 and name HD11)
    or (resid   14 and name   HN) (resid    3 and name HD13)
assign (resid 14 and name HN) (resid 44 and name HD22) 3.559 1.583 3.083 weight 1.000 ! spec=HNH, no=1804, id=1475, vol=7.180000e+05
    or (resid   14 and name   HN) (resid   44 and name HD21)
    or (resid   14 and name   HN) (resid   44 and name HD23)
    or (resid   14 and name   HN) (resid   44 and name HD12)
    or (resid   14 and name   HN) (resid   44 and name HD11)
    or (resid   14 and name   HN) (resid   44 and name HD13)
assign (resid 80 and name HN) (resid 81 and name HN) 2.809 0.986 2.486 weight 1.000 ! spec=HNH, no=1805, id=1476, vol=2.970000e+06
assign (resid 82 and name HN) (resid 81 and name HN) 2.337 0.683 2.183 weight 1.000 ! spec=HNH, no=1806, id=1477, vol=8.950000e+06
assign (resid 81 and name HN) (resid 81 and name HD1) 2.986 1.114 2.614 weight 1.000 ! spec=HNH, no=1809, id=1479, vol=2.060000e+06
assign (resid 81 and name HN) (resid 82 and name HA) 3.755 1.762 3.262 weight 1.000 ! spec=HNH, no=1811, id=1480, vol=5.210000e+05
assign (resid 81 and name HN) (resid 81 and name HA) 2.735 0.935 2.435 weight 1.000 ! spec=HNH, no=1812, id=1481, vol=3.490000e+06
assign (resid 81 and name HN) (resid 78 and name HA) 3.623 1.641 3.141 weight 1.000 ! spec=HNH, no=1813, id=1482, vol=6.450000e+05
assign (resid 81 and name HN) (resid 81 and name HB1) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=1820, id=1488, vol=3.380000e+06
assign (resid 81 and name HN) (resid 78 and name HD22) 3.779 1.785 3.285 weight 1.000 ! spec=HNH, no=1823, id=1491, vol=5.010000e+05
    or (resid   81 and name   HN) (resid   78 and name HD21)
    or (resid   81 and name   HN) (resid   78 and name HD23)
assign (resid 81 and name HN) (resid 78 and name HB1) 3.144 1.236 2.736 weight 1.000 ! spec=HNH, no=1824, id=1492, vol=1.510000e+06
assign (resid 18 and name HN) (resid 22 and name HN) 4.221 2.227 3.727 weight 1.000 ! spec=HNH, no=1830, id=1497, vol=2.580000e+05
assign (resid 19 and name HN) (resid 18 and name HN) 2.417 0.730 2.23 weight 1.000 ! spec=HNH, no=1831, id=1498, vol=7.320000e+06
assign (resid 18 and name HN) (resid 17 and name HA) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=1840, id=1505, vol=1.460000e+06
assign (resid 18 and name HN) (resid 19 and name HA) 3.610 1.629 3.129 weight 1.000 ! spec=HNH, no=1843, id=1507, vol=6.590000e+05
assign (resid 18 and name HN) (resid 18 and name HG1) 2.685 0.901 2.401 weight 1.000 ! spec=HNH, no=1846, id=1510, vol=3.900000e+06
assign (resid 18 and name HN) (resid 19 and name HB) 3.325 1.382 2.882 weight 1.000 ! spec=HNH, no=1849, id=1513, vol=1.080000e+06
assign (resid 18 and name HN) (resid 19 and name HG12) 3.220 1.296 2.796 weight 1.000 ! spec=HNH, no=1850, id=1514, vol=1.310000e+06
assign (resid 18 and name HN) (resid 17 and name HG22) 2.529 0.799 2.299 weight 1.000 ! spec=HNH, no=1852, id=1516, vol=5.580000e+06
    or (resid   18 and name   HN) (resid   17 and name HG21)
    or (resid   18 and name   HN) (resid   17 and name HG23)
    or (resid   18 and name   HN) (resid   17 and name HG12)
    or (resid   18 and name   HN) (resid   17 and name HG11)
    or (resid   18 and name   HN) (resid   17 and name HG13)
assign (resid 15 and name HN) (resid 17 and name HN) 3.761 1.768 3.268 weight 1.000 ! spec=HNH, no=1856, id=1519, vol=5.160000e+05
assign (resid 15 and name HN) (resid 18 and name HN) 3.276 1.342 2.842 weight 1.000 ! spec=HNH, no=1859, id=1521, vol=1.180000e+06
assign (resid 15 and name HN) (resid 14 and name HA) 2.058 0.530 2.03 weight 1.000 ! spec=HNH, no=1861, id=1522, vol=1.920000e+07
assign (resid 15 and name HN) (resid 18 and name HG1) 3.208 1.286 2.786 weight 1.000 ! spec=HNH, no=1864, id=1525, vol=1.340000e+06
assign (resid 15 and name HN) (resid 18 and name HB1) 3.159 1.247 2.747 weight 1.000 ! spec=HNH, no=1866, id=1527, vol=1.470000e+06
assign (resid 15 and name HN) (resid 19 and name HB) 3.881 1.883 3.383 weight 1.000 ! spec=HNH, no=1868, id=1529, vol=4.270000e+05
assign (resid 15 and name HN) (resid 19 and name HG12) 3.491 1.523 3.023 weight 1.000 ! spec=HNH, no=1869, id=1530, vol=8.070000e+05
assign (resid 15 and name HN) (resid 17 and name HG22) 3.551 1.576 3.076 weight 1.000 ! spec=HNH, no=1871, id=1532, vol=7.280000e+05
    or (resid   15 and name   HN) (resid   17 and name HG21)
    or (resid   15 and name   HN) (resid   17 and name HG23)
    or (resid   15 and name   HN) (resid   17 and name HG12)
    or (resid   15 and name   HN) (resid   17 and name HG11)
    or (resid   15 and name   HN) (resid   17 and name HG13)
assign (resid 15 and name HN) (resid 16 and name HD22) 4.159 2.162 3.662 weight 1.000 ! spec=HNH, no=1873, id=1534, vol=2.820000e+05
    or (resid   15 and name   HN) (resid   16 and name HD21)
    or (resid   15 and name   HN) (resid   16 and name HD23)
assign (resid 77 and name HN) (resid 71 and name HN) 3.403 1.447 2.947 weight 1.000 ! spec=HNH, no=1877, id=1536, vol=9.400000e+05
assign (resid 77 and name HN) (resid 81 and name HZ3) 3.502 1.533 3.033 weight 1.000 ! spec=HNH, no=1881, id=1540, vol=7.910000e+05
assign (resid 77 and name HN) (resid 78 and name HN) 3.610 1.629 3.129 weight 1.000 ! spec=HNH, no=1883, id=1542, vol=6.590000e+05
assign (resid 77 and name HN) (resid 77 and name HA1) 3.001 1.125 2.625 weight 1.000 ! spec=HNH, no=1884, id=1543, vol=2.000000e+06
assign (resid 77 and name HN) (resid 70 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HNH, no=1885, id=1544, vol=1.490000e+06
assign (resid 77 and name HN) (resid 77 and name HA2) 2.876 1.034 2.534 weight 1.000 ! spec=HNH, no=1886, id=1545, vol=2.580000e+06
assign (resid 77 and name HN) (resid 76 and name HB2) 2.772 0.960 2.46 weight 1.000 ! spec=HNH, no=1887, id=1546, vol=3.220000e+06
    or (resid   77 and name   HN) (resid   76 and name  HB1)
assign (resid 77 and name HN) (resid 69 and name HD22) 3.445 1.484 2.984 weight 1.000 ! spec=HNH, no=1891, id=1550, vol=8.730000e+05
    or (resid   77 and name   HN) (resid   69 and name HD21)
    or (resid   77 and name   HN) (resid   69 and name HD23)
assign (resid 96 and name HN) (resid 95 and name HA) 2.751 0.946 2.446 weight 1.000 ! spec=HNH, no=1894, id=1553, vol=3.370000e+06
assign (resid 96 and name HN) (resid 96 and name HA) 3.591 1.612 3.112 weight 1.000 ! spec=HNH, no=1897, id=1556, vol=6.810000e+05
assign (resid 96 and name HN) (resid 96 and name HB2) 4.003 2.003 3.503 weight 1.000 ! spec=HNH, no=1898, id=1557, vol=3.550000e+05
assign (resid 96 and name HN) (resid 95 and name HB2) 3.489 1.522 3.022 weight 1.000 ! spec=HNH, no=1900, id=1559, vol=8.090000e+05
assign (resid 71 and name HN) (resid 71 and name HA) 2.936 1.077 2.577 weight 1.000 ! spec=HNH, no=1911, id=1567, vol=2.280000e+06
assign (resid 71 and name HN) (resid 77 and name HA1) 4.390 2.409 3.909 weight 1.000 ! spec=HNH, no=1912, id=1568, vol=2.040000e+05
assign (resid 71 and name HN) (resid 70 and name HA) 2.409 0.726 2.226 weight 1.000 ! spec=HNH, no=1913, id=1569, vol=7.460000e+06
assign (resid 71 and name HN) (resid 71 and name HB2) 2.988 1.116 2.616 weight 1.000 ! spec=HNH, no=1914, id=1570, vol=2.050000e+06
assign (resid 71 and name HN) (resid 71 and name HB1) 3.114 1.212 2.712 weight 1.000 ! spec=HNH, no=1915, id=1571, vol=1.600000e+06
assign (resid 71 and name HN) (resid 70 and name HB2) 2.835 1.005 2.505 weight 1.000 ! spec=HNH, no=1921, id=1576, vol=2.810000e+06
    or (resid   71 and name   HN) (resid   70 and name  HB1)
    or (resid   71 and name   HN) (resid   70 and name  HB3)
assign (resid 65 and name HN) (resid 68 and name HN) 4.345 2.360 3.86 weight 1.000 ! spec=HNH, no=1922, id=1577, vol=2.170000e+05
assign (resid 65 and name HN) (resid 63 and name HN) 3.810 1.815 3.315 weight 1.000 ! spec=HNH, no=1926, id=1579, vol=4.770000e+05
assign (resid 65 and name HN) (resid 62 and name HA) 3.555 1.580 3.08 weight 1.000 ! spec=HNH, no=1930, id=1583, vol=7.230000e+05
assign (resid 65 and name HN) (resid 65 and name HB2) 3.095 1.198 2.698 weight 1.000 ! spec=HNH, no=1931, id=1584, vol=1.660000e+06
assign (resid 65 and name HN) (resid 17 and name HG22) 4.200 2.205 3.705 weight 1.000 ! spec=HNH, no=1933, id=1585, vol=2.660000e+05
    or (resid   65 and name   HN) (resid   17 and name HG21)
    or (resid   65 and name   HN) (resid   17 and name HG23)
    or (resid   65 and name   HN) (resid   17 and name HG12)
    or (resid   65 and name   HN) (resid   17 and name HG11)
    or (resid   65 and name   HN) (resid   17 and name HG13)
assign (resid 43 and name HN) (resid 42 and name HB2) 2.430 0.738 2.238 weight 1.000 ! spec=HNH, no=1945, id=1593, vol=7.090000e+06
    or (resid   43 and name   HN) (resid   42 and name  HB1)
assign (resid 43 and name HN) (resid 41 and name HA) 3.641 1.657 3.157 weight 1.000 ! spec=HNH, no=1948, id=1595, vol=6.270000e+05
assign (resid 43 and name HN) (resid 40 and name HA) 2.962 1.097 2.597 weight 1.000 ! spec=HNH, no=1949, id=1596, vol=2.160000e+06
assign (resid 43 and name HN) (resid 43 and name HB2) 2.357 0.695 2.195 weight 1.000 ! spec=HNH, no=1952, id=1599, vol=8.510000e+06
assign (resid 43 and name HN) (resid 43 and name HG) 2.475 0.766 2.266 weight 1.000 ! spec=HNH, no=1953, id=1600, vol=6.350000e+06
assign (resid 43 and name HN) (resid 41 and name HB2) 3.325 1.382 2.882 weight 1.000 ! spec=HNH, no=1956, id=1603, vol=1.080000e+06
    or (resid   43 and name   HN) (resid   41 and name  HB1)
    or (resid   43 and name   HN) (resid   41 and name  HB3)
assign (resid 43 and name HN) (resid 43 and name HD22) 2.572 0.827 2.327 weight 1.000 ! spec=HNH, no=1958, id=1605, vol=5.040000e+06
    or (resid   43 and name   HN) (resid   43 and name HD21)
    or (resid   43 and name   HN) (resid   43 and name HD23)
    or (resid   43 and name   HN) (resid   43 and name HD12)
    or (resid   43 and name   HN) (resid   43 and name HD11)
    or (resid   43 and name   HN) (resid   43 and name HD13)
assign (resid 36 and name HN) (resid 38 and name HN) 2.953 1.090 2.59 weight 1.000 ! spec=HNH, no=1968, id=1612, vol=2.200000e+06
assign (resid 36 and name HN) (resid 76 and name HD1) 4.152 2.155 3.655 weight 1.000 ! spec=HNH, no=1973, id=1616, vol=2.850000e+05
assign (resid 36 and name HN) (resid 58 and name HE1) 4.218 2.224 3.724 weight 1.000 ! spec=HNH, no=1978, id=1620, vol=2.590000e+05
    or (resid   36 and name   HN) (resid   58 and name  HE2)
assign (resid 36 and name HN) (resid 36 and name HA) 2.683 0.900 2.4 weight 1.000 ! spec=HNH, no=1979, id=1621, vol=3.910000e+06
assign (resid 36 and name HN) (resid 37 and name HA) 3.816 1.820 3.32 weight 1.000 ! spec=HNH, no=1983, id=1625, vol=4.730000e+05
assign (resid 36 and name HN) (resid 32 and name HB2) 4.306 2.318 3.818 weight 1.000 ! spec=HNH, no=1984, id=1626, vol=2.290000e+05
assign (resid 36 and name HN) (resid 35 and name HG1) 3.281 1.346 2.846 weight 1.000 ! spec=HNH, no=1985, id=1627, vol=1.170000e+06
assign (resid 36 and name HN) (resid 31 and name HB) 3.305 1.365 2.865 weight 1.000 ! spec=HNH, no=1986, id=1628, vol=1.120000e+06
assign (resid 36 and name HN) (resid 35 and name HB2) 2.608 0.850 2.35 weight 1.000 ! spec=HNH, no=1987, id=1629, vol=4.640000e+06
    or (resid   36 and name   HN) (resid   35 and name  HB1)
assign (resid 36 and name HN) (resid 36 and name HB2) 2.527 0.798 2.298 weight 1.000 ! spec=HNH, no=1990, id=1632, vol=5.600000e+06
assign (resid 36 and name HN) (resid 36 and name HB1) 2.554 0.815 2.315 weight 1.000 ! spec=HNH, no=1992, id=1633, vol=5.260000e+06
assign (resid 36 and name HN) (resid 37 and name HB2) 3.551 1.576 3.076 weight 1.000 ! spec=HNH, no=1993, id=1634, vol=7.280000e+05
assign (resid 36 and name HN) (resid 37 and name HB1) 3.451 1.489 2.989 weight 1.000 ! spec=HNH, no=1994, id=1635, vol=8.640000e+05
assign (resid 87 and name HN) (resid 86 and name HE21) 4.261 2.269 3.769 weight 1.000 ! spec=HNH, no=1998, id=1638, vol=2.440000e+05
assign (resid 87 and name HN) (resid 88 and name HA) 3.346 1.400 2.9 weight 1.000 ! spec=HNH, no=2001, id=1641, vol=1.040000e+06
assign (resid 87 and name HN) (resid 89 and name HA) 4.221 2.227 3.727 weight 1.000 ! spec=HNH, no=2006, id=1644, vol=2.580000e+05
assign (resid 87 and name HN) (resid 87 and name HD12) 3.362 1.413 2.913 weight 1.000 ! spec=HNH, no=2011, id=1649, vol=1.010000e+06
    or (resid   87 and name   HN) (resid   87 and name HD11)
    or (resid   87 and name   HN) (resid   87 and name HD13)
assign (resid 56 and name HN) (resid 55 and name HN) 2.446 0.748 2.248 weight 1.000 ! spec=HNH, no=2015, id=1651, vol=6.820000e+06
assign (resid 56 and name HN) (resid 57 and name HB2) 3.740 1.749 3.249 weight 1.000 ! spec=HNH, no=2023, id=1659, vol=5.330000e+05
assign (resid 56 and name HN) (resid 55 and name HB) 2.494 0.777 2.277 weight 1.000 ! spec=HNH, no=2025, id=1661, vol=6.070000e+06
assign (resid 56 and name HN) (resid 55 and name HG12) 3.241 1.313 2.813 weight 1.000 ! spec=HNH, no=2027, id=1663, vol=1.260000e+06
assign (resid 93 and name HN) (resid 95 and name HB1) 4.325 2.338 3.838 weight 1.000 ! spec=HNH, no=2052, id=1681, vol=2.230000e+05
assign (resid 93 and name HN) (resid 92 and name HB2) 2.944 1.084 2.584 weight 1.000 ! spec=HNH, no=2055, id=1684, vol=2.240000e+06
assign (resid 93 and name HN) (resid 91 and name HG21) 3.801 1.806 3.306 weight 1.000 ! spec=HNH, no=2058, id=1687, vol=4.840000e+05
    or (resid   93 and name   HN) (resid   91 and name HG22)
    or (resid   93 and name   HN) (resid   91 and name HG23)
assign (resid 41 and name HN) (resid 39 and name HN) 3.216 1.293 2.793 weight 1.000 ! spec=HNH, no=2060, id=1689, vol=1.320000e+06
assign (resid 39 and name HN) (resid 40 and name HN) 2.419 0.731 2.231 weight 1.000 ! spec=HNH, no=2063, id=1690, vol=7.290000e+06
assign (resid 37 and name HN) (resid 39 and name HN) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=2066, id=1692, vol=1.220000e+06
assign (resid 39 and name HN) (resid 36 and name HN) 3.558 1.583 3.083 weight 1.000 ! spec=HNH, no=2069, id=1695, vol=7.190000e+05
assign (resid 38 and name HN) (resid 39 and name HN) 2.429 0.737 2.237 weight 1.000 ! spec=HNH, no=2071, id=1696, vol=7.110000e+06
assign (resid 39 and name HN) (resid 34 and name HE22) 3.929 1.929 3.429 weight 1.000 ! spec=HNH, no=2074, id=1699, vol=3.970000e+05
assign (resid 39 and name HN) (resid 38 and name HA) 3.011 1.133 2.633 weight 1.000 ! spec=HNH, no=2076, id=1700, vol=1.960000e+06
assign (resid 39 and name HN) (resid 35 and name HA) 3.141 1.233 2.733 weight 1.000 ! spec=HNH, no=2077, id=1701, vol=1.520000e+06
assign (resid 39 and name HN) (resid 34 and name HA) 4.238 2.245 3.745 weight 1.000 ! spec=HNH, no=2079, id=1703, vol=2.520000e+05
assign (resid 39 and name HN) (resid 40 and name HA) 3.858 1.860 3.36 weight 1.000 ! spec=HNH, no=2081, id=1705, vol=4.430000e+05
assign (resid 39 and name HN) (resid 40 and name HG12) 3.368 1.418 2.918 weight 1.000 ! spec=HNH, no=2093, id=1715, vol=1.000000e+06
assign (resid 39 and name HN) (resid 40 and name HB) 3.346 1.400 2.9 weight 1.000 ! spec=HNH, no=2095, id=1717, vol=1.040000e+06
assign (resid 84 and name HN) (resid 84 and name HA) 2.437 0.743 2.243 weight 1.000 ! spec=HNH, no=2115, id=1728, vol=6.960000e+06
assign (resid 84 and name HN) (resid 83 and name HA) 2.131 0.567 2.067 weight 1.000 ! spec=HNH, no=2116, id=1729, vol=1.560000e+07
assign (resid 84 and name HN) (resid 84 and name HB1) 2.469 0.762 2.262 weight 1.000 ! spec=HNH, no=2122, id=1732, vol=6.440000e+06
assign (resid 84 and name HN) (resid 83 and name HB1) 2.728 0.930 2.43 weight 1.000 ! spec=HNH, no=2127, id=1736, vol=3.540000e+06
assign (resid 89 and name HN) (resid 89 and name HA) 2.432 0.739 2.239 weight 1.000 ! spec=HNH, no=2138, id=1743, vol=7.060000e+06
assign (resid 89 and name HN) (resid 88 and name HB2) 2.870 1.030 2.53 weight 1.000 ! spec=HNH, no=2139, id=1744, vol=2.610000e+06
    or (resid   89 and name   HN) (resid   88 and name  HB1)
assign (resid 89 and name HN) (resid 89 and name HG2) 2.690 0.905 2.405 weight 1.000 ! spec=HNH, no=2141, id=1746, vol=3.850000e+06
    or (resid   89 and name   HN) (resid   89 and name  HG1)
assign (resid 89 and name HN) (resid 89 and name HB2) 2.623 0.860 2.36 weight 1.000 ! spec=HNH, no=2142, id=1747, vol=4.480000e+06
assign (resid 89 and name HN) (resid 89 and name HB1) 2.360 0.696 2.196 weight 1.000 ! spec=HNH, no=2143, id=1748, vol=8.450000e+06
assign (resid 89 and name HN) (resid 87 and name HB1) 3.476 1.510 3.01 weight 1.000 ! spec=HNH, no=2145, id=1750, vol=8.280000e+05
assign (resid 16 and name HN) (resid 17 and name HN) 2.681 0.899 2.399 weight 1.000 ! spec=HNH, no=2166, id=1752, vol=3.930000e+06
assign (resid 16 and name HN) (resid 18 and name HN) 3.310 1.369 2.869 weight 1.000 ! spec=HNH, no=2171, id=1755, vol=1.110000e+06
assign (resid 16 and name HN) (resid 15 and name HA) 2.223 0.618 2.118 weight 1.000 ! spec=HNH, no=2172, id=1756, vol=1.210000e+07
assign (resid 16 and name HN) (resid 58 and name HB1) 3.922 1.923 3.423 weight 1.000 ! spec=HNH, no=2176, id=1760, vol=4.010000e+05
assign (resid 16 and name HN) (resid 18 and name HG2) 4.192 2.197 3.697 weight 1.000 ! spec=HNH, no=2177, id=1761, vol=2.690000e+05
assign (resid 16 and name HN) (resid 54 and name HG1) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=2180, id=1764, vol=8.220000e+05
assign (resid 16 and name HN) (resid 16 and name HB2) 2.637 0.869 2.369 weight 1.000 ! spec=HNH, no=2183, id=1767, vol=4.340000e+06
assign (resid 16 and name HN) (resid 17 and name HG22) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=2186, id=1770, vol=1.200000e+06
    or (resid   16 and name   HN) (resid   17 and name HG21)
    or (resid   16 and name   HN) (resid   17 and name HG23)
    or (resid   16 and name   HN) (resid   17 and name HG12)
    or (resid   16 and name   HN) (resid   17 and name HG11)
    or (resid   16 and name   HN) (resid   17 and name HG13)
assign (resid 66 and name HN) (resid 65 and name HA) 3.315 1.374 2.874 weight 1.000 ! spec=HNH, no=2192, id=1773, vol=1.100000e+06
assign (resid 66 and name HN) (resid 66 and name HA1) 3.787 1.792 3.292 weight 1.000 ! spec=HNH, no=2194, id=1775, vol=4.950000e+05
assign (resid 66 and name HN) (resid 67 and name HA) 4.372 2.389 3.889 weight 1.000 ! spec=HNH, no=2196, id=1777, vol=2.090000e+05
assign (resid 66 and name HN) (resid 65 and name HB2) 4.154 2.157 3.657 weight 1.000 ! spec=HNH, no=2199, id=1780, vol=2.840000e+05
assign (resid 64 and name HN) (resid 63 and name HN) 2.656 0.882 2.382 weight 1.000 ! spec=HNH, no=2201, id=1782, vol=4.160000e+06
assign (resid 63 and name HN) (resid 76 and name HZ3) 3.802 1.807 3.307 weight 1.000 ! spec=HNH, no=2209, id=1787, vol=4.830000e+05
assign (resid 63 and name HN) (resid 59 and name HD1) 4.345 2.360 3.86 weight 1.000 ! spec=HNH, no=2211, id=1788, vol=2.170000e+05
    or (resid   63 and name   HN) (resid   59 and name  HD2)
assign (resid 63 and name HN) (resid 63 and name HA) 2.769 0.958 2.458 weight 1.000 ! spec=HNH, no=2213, id=1789, vol=3.240000e+06
assign (resid 63 and name HN) (resid 63 and name HB2) 2.562 0.821 2.321 weight 1.000 ! spec=HNH, no=2217, id=1792, vol=5.160000e+06
assign (resid 63 and name HN) (resid 63 and name HB1) 2.690 0.905 2.405 weight 1.000 ! spec=HNH, no=2218, id=1793, vol=3.850000e+06
assign (resid 63 and name HN) (resid 64 and name HB) 4.062 2.062 3.562 weight 1.000 ! spec=HNH, no=2219, id=1794, vol=3.250000e+05
assign (resid 63 and name HN) (resid 17 and name HG22) 4.041 2.042 3.542 weight 1.000 ! spec=HNH, no=2222, id=1796, vol=3.350000e+05
    or (resid   63 and name   HN) (resid   17 and name HG21)
    or (resid   63 and name   HN) (resid   17 and name HG23)
    or (resid   63 and name   HN) (resid   17 and name HG12)
    or (resid   63 and name   HN) (resid   17 and name HG11)
    or (resid   63 and name   HN) (resid   17 and name HG13)
assign (resid 63 and name HN) (resid 64 and name HG22) 3.683 1.695 3.195 weight 1.000 ! spec=HNH, no=2223, id=1797, vol=5.850000e+05
    or (resid   63 and name   HN) (resid   64 and name HG21)
    or (resid   63 and name   HN) (resid   64 and name HG23)
assign (resid 63 and name HN) (resid 62 and name HB2) 3.114 1.212 2.712 weight 1.000 ! spec=HNH, no=2225, id=1799, vol=1.600000e+06
assign (resid 63 and name HN) (resid 62 and name HB1) 3.224 1.299 2.799 weight 1.000 ! spec=HNH, no=2227, id=1801, vol=1.300000e+06
assign (resid 63 and name HN) (resid 62 and name HD22) 3.428 1.469 2.969 weight 1.000 ! spec=HNH, no=2228, id=1802, vol=8.990000e+05
    or (resid   63 and name   HN) (resid   62 and name HD21)
    or (resid   63 and name   HN) (resid   62 and name HD23)
assign (resid 92 and name HN) (resid 92 and name HG2) 2.923 1.068 2.568 weight 1.000 ! spec=HNH, no=2263, id=1814, vol=2.340000e+06
    or (resid   92 and name   HN) (resid   92 and name  HG1)
assign (resid 88 and name HN) (resid 89 and name HN) 2.447 0.748 2.248 weight 1.000 ! spec=HNH, no=2272, id=1822, vol=6.800000e+06
assign (resid 88 and name HN) (resid 25 and name HA) 4.031 2.032 3.532 weight 1.000 ! spec=HNH, no=2280, id=1828, vol=3.400000e+05
assign (resid 88 and name HN) (resid 87 and name HA) 2.090 0.546 2.046 weight 1.000 ! spec=HNH, no=2282, id=1830, vol=1.750000e+07
assign (resid 88 and name HN) (resid 25 and name HG2) 3.678 1.691 3.191 weight 1.000 ! spec=HNH, no=2284, id=1832, vol=5.900000e+05
    or (resid   88 and name   HN) (resid   25 and name  HG1)
assign (resid 88 and name HN) (resid 89 and name HB1) 3.499 1.530 3.03 weight 1.000 ! spec=HNH, no=2285, id=1833, vol=7.960000e+05
assign (resid 88 and name HN) (resid 91 and name HG21) 4.232 2.239 3.739 weight 1.000 ! spec=HNH, no=2290, id=1838, vol=2.540000e+05
    or (resid   88 and name   HN) (resid   91 and name HG22)
    or (resid   88 and name   HN) (resid   91 and name HG23)
assign (resid 88 and name HN) (resid 87 and name HD22) 3.290 1.353 2.853 weight 1.000 ! spec=HNH, no=2293, id=1840, vol=1.150000e+06
    or (resid   88 and name   HN) (resid   87 and name HD21)
    or (resid   88 and name   HN) (resid   87 and name HD23)
assign (resid 40 and name HN) (resid 44 and name HN) 4.197 2.202 3.702 weight 1.000 ! spec=HNH, no=2314, id=1845, vol=2.670000e+05
assign (resid 40 and name HN) (resid 40 and name HA) 2.709 0.918 2.418 weight 1.000 ! spec=HNH, no=2320, id=1850, vol=3.690000e+06
assign (resid 40 and name HN) (resid 39 and name HG1) 3.456 1.493 2.993 weight 1.000 ! spec=HNH, no=2322, id=1852, vol=8.560000e+05
assign (resid 40 and name HN) (resid 40 and name HB) 2.428 0.737 2.237 weight 1.000 ! spec=HNH, no=2324, id=1854, vol=7.130000e+06
assign (resid 40 and name HN) (resid 41 and name HB2) 3.071 1.179 2.679 weight 1.000 ! spec=HNH, no=2326, id=1856, vol=1.740000e+06
    or (resid   40 and name   HN) (resid   41 and name  HB1)
    or (resid   40 and name   HN) (resid   41 and name  HB3)
assign (resid 40 and name HN) (resid 23 and name HD22) 2.753 0.948 2.448 weight 1.000 ! spec=HNH, no=2327, id=1857, vol=3.350000e+06
    or (resid   40 and name   HN) (resid   23 and name HD21)
    or (resid   40 and name   HN) (resid   23 and name HD23)
assign (resid 85 and name HN) (resid 86 and name HN) 2.590 0.838 2.338 weight 1.000 ! spec=HNH, no=2337, id=1862, vol=4.840000e+06
assign (resid 85 and name HN) (resid 84 and name HD1) 3.077 1.183 2.683 weight 1.000 ! spec=HNH, no=2345, id=1870, vol=1.720000e+06
    or (resid   85 and name   HN) (resid   84 and name  HD2)
assign (resid 85 and name HN) (resid 84 and name HB2) 2.827 0.999 2.499 weight 1.000 ! spec=HNH, no=2351, id=1875, vol=2.860000e+06
assign (resid 85 and name HN) (resid 85 and name HB2) 2.295 0.658 2.158 weight 1.000 ! spec=HNH, no=2353, id=1877, vol=1.000000e+07
    or (resid   85 and name   HN) (resid   85 and name  HB1)
assign (resid 95 and name HN) (resid 96 and name HN) 3.379 1.428 2.928 weight 1.000 ! spec=HNH, no=2360, id=1881, vol=9.800000e+05
assign (resid 95 and name HN) (resid 93 and name HN) 4.043 2.044 3.544 weight 1.000 ! spec=HNH, no=2361, id=1882, vol=3.340000e+05
assign (resid 95 and name HN) (resid 94 and name HB2) 4.135 2.137 3.637 weight 1.000 ! spec=HNH, no=2367, id=1886, vol=2.920000e+05
    or (resid   95 and name   HN) (resid   94 and name  HB1)
assign (resid 94 and name HN) (resid 22 and name HN) 3.537 1.564 3.064 weight 1.000 ! spec=HNH, no=2374, id=1893, vol=7.450000e+05
assign (resid 94 and name HN) (resid 6 and name HD1) 4.210 2.216 3.716 weight 1.000 ! spec=HNH, no=2382, id=1900, vol=2.620000e+05
    or (resid   94 and name   HN) (resid    6 and name  HD2)
assign (resid 94 and name HN) (resid 18 and name HA) 4.261 2.269 3.769 weight 1.000 ! spec=HNH, no=2388, id=1905, vol=2.440000e+05
assign (resid 94 and name HN) (resid 93 and name HA) 2.232 0.623 2.123 weight 1.000 ! spec=HNH, no=2390, id=1907, vol=1.180000e+07
assign (resid 94 and name HN) (resid 94 and name HA) 2.496 0.779 2.279 weight 1.000 ! spec=HNH, no=2391, id=1908, vol=6.040000e+06
assign (resid 94 and name HN) (resid 94 and name HG1) 3.008 1.131 2.631 weight 1.000 ! spec=HNH, no=2394, id=1911, vol=1.970000e+06
assign (resid 94 and name HN) (resid 93 and name HB1) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=2398, id=1915, vol=2.720000e+06
assign (resid 79 and name HN) (resid 69 and name HN) 3.224 1.299 2.799 weight 1.000 ! spec=HNH, no=2401, id=1917, vol=1.300000e+06
assign (resid 79 and name HN) (resid 68 and name HD1) 3.491 1.524 3.024 weight 1.000 ! spec=HNH, no=2406, id=1922, vol=8.060000e+05
    or (resid   79 and name   HN) (resid   68 and name  HD2)
assign (resid 79 and name HN) (resid 78 and name HA) 2.480 0.769 2.269 weight 1.000 ! spec=HNH, no=2409, id=1925, vol=6.270000e+06
assign (resid 79 and name HN) (resid 68 and name HB2) 3.887 1.889 3.389 weight 1.000 ! spec=HNH, no=2415, id=1931, vol=4.230000e+05
assign (resid 79 and name HN) (resid 79 and name HD2) 3.600 1.620 3.12 weight 1.000 ! spec=HNH, no=2416, id=1932, vol=6.710000e+05
assign (resid 79 and name HN) (resid 78 and name HD12) 3.452 1.489 2.989 weight 1.000 ! spec=HNH, no=2423, id=1936, vol=8.630000e+05
    or (resid   79 and name   HN) (resid   78 and name HD11)
    or (resid   79 and name   HN) (resid   78 and name HD13)
assign (resid 79 and name HN) (resid 78 and name HG) 3.708 1.718 3.218 weight 1.000 ! spec=HNH, no=2424, id=1937, vol=5.620000e+05
assign (resid 79 and name HN) (resid 78 and name HB1) 3.410 1.454 2.954 weight 1.000 ! spec=HNH, no=2426, id=1939, vol=9.280000e+05
assign (resid 90 and name HN) (resid 91 and name HN) 2.449 0.750 2.25 weight 1.000 ! spec=HNH, no=2427, id=1940, vol=6.770000e+06
assign (resid 91 and name HN) (resid 89 and name HG2) 3.177 1.262 2.762 weight 1.000 ! spec=HNH, no=2436, id=1947, vol=1.420000e+06
    or (resid   91 and name   HN) (resid   89 and name  HG1)
assign (resid 91 and name HN) (resid 89 and name HB2) 2.786 0.970 2.47 weight 1.000 ! spec=HNH, no=2437, id=1948, vol=3.120000e+06
assign (resid 91 and name HN) (resid 93 and name HG) 4.096 2.097 3.597 weight 1.000 ! spec=HNH, no=2438, id=1949, vol=3.090000e+05
assign (resid 90 and name HN) (resid 90 and name HA) 2.245 0.630 2.13 weight 1.000 ! spec=HNH, no=2458, id=1967, vol=1.140000e+07
assign (resid 90 and name HN) (resid 90 and name HB2) 2.258 0.638 2.138 weight 1.000 ! spec=HNH, no=2461, id=1970, vol=1.100000e+07
    or (resid   90 and name   HN) (resid   90 and name  HB1)
assign (resid 73 and name HN) (resid 73 and name HA) 2.847 1.013 2.513 weight 1.000 ! spec=HNH, no=2465, id=1974, vol=2.740000e+06
assign (resid 73 and name HN) (resid 73 and name HB2) 3.310 1.369 2.869 weight 1.000 ! spec=HNH, no=2468, id=1977, vol=1.110000e+06
assign (resid 73 and name HN) (resid 71 and name HD12) 4.174 2.178 3.678 weight 1.000 ! spec=HNH, no=2471, id=1980, vol=2.760000e+05
    or (resid   73 and name   HN) (resid   71 and name HD11)
    or (resid   73 and name   HN) (resid   71 and name HD13)
assign (resid 45 and name HN) (resid 8 and name HE21) 3.548 1.573 3.073 weight 1.000 ! spec=HNH, no=2514, id=1987, vol=7.320000e+05
assign (resid 8 and name HE21) (resid 44 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HNH, no=2515, id=1988, vol=1.490000e+06
assign (resid 8 and name HE21) (resid 12 and name HD2) 3.711 1.721 3.221 weight 1.000 ! spec=HNH, no=2517, id=1990, vol=5.590000e+05
    or (resid    8 and name HE21) (resid   12 and name  HD1)
assign (resid 8 and name HE22) (resid 12 and name HD2) 3.737 1.746 3.246 weight 1.000 ! spec=HNH, no=2519, id=1992, vol=5.360000e+05
    or (resid    8 and name HE22) (resid   12 and name  HD1)
assign (resid 8 and name HE22) (resid 12 and name HA) 3.369 1.418 2.918 weight 1.000 ! spec=HNH, no=2522, id=1995, vol=9.990000e+05
assign (resid 8 and name HE22) (resid 44 and name HA) 3.286 1.349 2.849 weight 1.000 ! spec=HNH, no=2524, id=1997, vol=1.160000e+06
assign (resid 45 and name HN) (resid 46 and name HA) 3.852 1.854 3.354 weight 1.000 ! spec=HNH, no=2535, id=2004, vol=4.470000e+05
assign (resid 81 and name HE1) (resid 78 and name HB1) 3.452 1.490 2.99 weight 1.000 ! spec=HNH, no=2543, id=2010, vol=8.620000e+05
assign (resid 81 and name HE1) (resid 78 and name HB2) 3.682 1.694 3.194 weight 1.000 ! spec=HNH, no=2547, id=2013, vol=5.860000e+05
assign (resid 81 and name HE1) (resid 25 and name HB2) 3.795 1.800 3.3 weight 1.000 ! spec=HNH, no=2551, id=2017, vol=4.890000e+05
    or (resid   81 and name  HE1) (resid   25 and name  HB1)
assign (resid 81 and name HE1) (resid 28 and name HE2) 3.703 1.714 3.214 weight 1.000 ! spec=HNH, no=2552, id=2018, vol=5.660000e+05
    or (resid   81 and name  HE1) (resid   28 and name  HE1)
assign (resid 81 and name HE1) (resid 28 and name HA) 3.509 1.539 3.039 weight 1.000 ! spec=HNH, no=2553, id=2019, vol=7.820000e+05
assign (resid 81 and name HE1) (resid 25 and name HA) 3.463 1.499 2.999 weight 1.000 ! spec=HNH, no=2554, id=2020, vol=8.460000e+05
assign (resid 81 and name HE1) (resid 81 and name HN) 3.295 1.357 2.857 weight 1.000 ! spec=HNH, no=2558, id=2024, vol=1.140000e+06
assign (resid 81 and name HE1) (resid 81 and name HZ2) 2.728 0.930 2.43 weight 1.000 ! spec=HNH, no=2559, id=2025, vol=3.540000e+06
assign (resid 74 and name HN) (resid 74 and name HA) 2.399 0.719 2.219 weight 1.000 ! spec=HNH, no=2560, id=2026, vol=7.660000e+06
assign (resid 42 and name HN) (resid 39 and name HN) 3.608 1.627 3.127 weight 1.000 ! spec=HNH, no=2562, id=2028, vol=6.620000e+05
assign (resid 47 and name HN) (resid 46 and name HN) 3.224 1.299 2.799 weight 1.000 ! spec=HNH, no=2566, id=2031, vol=1.300000e+06
assign (resid 86 and name HE22) (resid 86 and name HE21) 1.485 0.276 1.776 weight 1.000 ! spec=HNH, no=2568, id=2033, vol=1.360000e+08
assign (resid 86 and name HE21) (resid 95 and name HA) 3.443 1.481 2.981 weight 1.000 ! spec=HNH, no=2570, id=2034, vol=8.770000e+05
assign (resid 86 and name HE21) (resid 92 and name HG2) 2.611 0.852 2.352 weight 1.000 ! spec=HNH, no=2571, id=2035, vol=4.610000e+06
    or (resid   86 and name HE21) (resid   92 and name  HG1)
assign (resid 74 and name HE21) (resid 35 and name HG1) 2.699 0.910 2.41 weight 1.000 ! spec=HNH, no=2573, id=2037, vol=3.780000e+06
assign (resid 92 and name HE21) (resid 92 and name HE22) 1.494 0.279 1.779 weight 1.000 ! spec=HNH, no=2576, id=2039, vol=1.310000e+08
assign (resid 92 and name HE21) (resid 95 and name HA) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=2577, id=2040, vol=1.220000e+06
assign (resid 92 and name HE21) (resid 86 and name HG2) 2.747 0.943 2.443 weight 1.000 ! spec=HNH, no=2579, id=2042, vol=3.400000e+06
assign (resid 34 and name HN) (resid 37 and name HN) 3.652 1.667 3.167 weight 1.000 ! spec=HNH, no=2595, id=2053, vol=6.150000e+05
assign (resid 33 and name HN) (resid 34 and name HN) 2.653 0.880 2.38 weight 1.000 ! spec=HNH, no=2596, id=2054, vol=4.190000e+06
assign (resid 28 and name HN) (resid 24 and name HA) 3.141 1.233 2.733 weight 1.000 ! spec=HNH, no=2597, id=2055, vol=1.520000e+06
assign (resid 80 and name HN) (resid 24 and name HB1) 3.980 1.980 3.48 weight 1.000 ! spec=HNH, no=2605, id=2062, vol=3.670000e+05
assign (resid 28 and name HN) (resid 81 and name HE1) 3.883 1.884 3.384 weight 1.000 ! spec=HNH, no=2609, id=2065, vol=4.260000e+05
assign (resid 28 and name HN) (resid 26 and name HN) 3.569 1.592 3.092 weight 1.000 ! spec=HNH, no=2610, id=2066, vol=7.060000e+05
assign (resid 28 and name HN) (resid 81 and name HZ2) 3.236 1.309 2.809 weight 1.000 ! spec=HNH, no=2611, id=2067, vol=1.270000e+06
assign (resid 17 and name HN) (resid 62 and name HD22) 3.914 1.915 3.415 weight 1.000 ! spec=HNH, no=2614, id=2070, vol=4.060000e+05
    or (resid   17 and name   HN) (resid   62 and name HD21)
    or (resid   17 and name   HN) (resid   62 and name HD23)
assign (resid 17 and name HN) (resid 16 and name HG) 3.330 1.386 2.886 weight 1.000 ! spec=HNH, no=2615, id=2071, vol=1.070000e+06
assign (resid 17 and name HN) (resid 61 and name HB1) 3.716 1.726 3.226 weight 1.000 ! spec=HNH, no=2616, id=2072, vol=5.540000e+05
assign (resid 20 and name HN) (resid 17 and name HN) 3.468 1.503 3.003 weight 1.000 ! spec=HNH, no=2617, id=2073, vol=8.390000e+05
assign (resid 31 and name HN) (resid 81 and name HZ3) 3.774 1.781 3.281 weight 1.000 ! spec=HNH, no=2620, id=2075, vol=5.050000e+05
assign (resid 21 and name HN) (resid 25 and name HN) 4.258 2.266 3.766 weight 1.000 ! spec=HNH, no=2622, id=2077, vol=2.450000e+05
assign (resid 21 and name HN) (resid 20 and name HA) 3.241 1.313 2.813 weight 1.000 ! spec=HNH, no=2623, id=2078, vol=1.260000e+06
assign (resid 21 and name HN) (resid 22 and name HG1) 3.957 1.958 3.458 weight 1.000 ! spec=HNH, no=2624, id=2079, vol=3.800000e+05
assign (resid 21 and name HN) (resid 3 and name HD12) 3.964 1.965 3.465 weight 1.000 ! spec=HNH, no=2625, id=2080, vol=3.760000e+05
    or (resid   21 and name   HN) (resid    3 and name HD11)
    or (resid   21 and name   HN) (resid    3 and name HD13)
assign (resid 21 and name HN) (resid 40 and name HD12) 3.758 1.766 3.266 weight 1.000 ! spec=HNH, no=2626, id=2081, vol=5.180000e+05
    or (resid   21 and name   HN) (resid   40 and name HD11)
    or (resid   21 and name   HN) (resid   40 and name HD13)
assign (resid 27 and name HN) (resid 23 and name HD12) 3.825 1.829 3.329 weight 1.000 ! spec=HNH, no=2627, id=2082, vol=4.660000e+05
    or (resid   27 and name   HN) (resid   23 and name HD11)
    or (resid   27 and name   HN) (resid   23 and name HD13)
assign (resid 27 and name HN) (resid 28 and name HB2) 3.963 1.963 3.463 weight 1.000 ! spec=HNH, no=2628, id=2083, vol=3.770000e+05
assign (resid 27 and name HN) (resid 27 and name HE1) 3.937 1.937 3.437 weight 1.000 ! spec=HNH, no=2632, id=2086, vol=3.920000e+05
assign (resid 9 and name HN) (resid 7 and name HN) 3.541 1.567 3.067 weight 1.000 ! spec=HNH, no=2633, id=2087, vol=7.410000e+05
assign (resid 9 and name HN) (resid 11 and name HN) 3.131 1.225 2.725 weight 1.000 ! spec=HNH, no=2634, id=2088, vol=1.550000e+06
assign (resid 9 and name HN) (resid 7 and name HB1) 3.043 1.157 2.657 weight 1.000 ! spec=HNH, no=2636, id=2090, vol=1.840000e+06
assign (resid 9 and name HN) (resid 8 and name HB2) 2.615 0.855 2.355 weight 1.000 ! spec=HNH, no=2637, id=2091, vol=4.560000e+06
assign (resid 9 and name HN) (resid 12 and name HD2) 3.439 1.478 2.978 weight 1.000 ! spec=HNH, no=2638, id=2092, vol=8.830000e+05
    or (resid    9 and name   HN) (resid   12 and name  HD1)
assign (resid 72 and name HN) (resid 71 and name HD22) 3.401 1.446 2.946 weight 1.000 ! spec=HNH, no=2639, id=2093, vol=9.430000e+05
    or (resid   72 and name   HN) (resid   71 and name HD21)
    or (resid   72 and name   HN) (resid   71 and name HD23)
assign (resid 64 and name HN) (resid 63 and name HB1) 3.413 1.456 2.956 weight 1.000 ! spec=HNH, no=2641, id=2095, vol=9.230000e+05
assign (resid 64 and name HN) (resid 65 and name HB2) 4.079 2.080 3.58 weight 1.000 ! spec=HNH, no=2642, id=2096, vol=3.170000e+05
assign (resid 64 and name HN) (resid 60 and name HA) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=2643, id=2097, vol=2.730000e+05
assign (resid 65 and name HN) (resid 64 and name HN) 2.752 0.947 2.447 weight 1.000 ! spec=HNH, no=2645, id=2098, vol=3.360000e+06
assign (resid 12 and name HN) (resid 13 and name HA) 3.708 1.718 3.218 weight 1.000 ! spec=HNH, no=2648, id=2101, vol=5.620000e+05
assign (resid 13 and name HN) (resid 44 and name HD22) 3.683 1.695 3.195 weight 1.000 ! spec=HNH, no=2651, id=2104, vol=5.850000e+05
    or (resid   13 and name   HN) (resid   44 and name HD21)
    or (resid   13 and name   HN) (resid   44 and name HD23)
    or (resid   13 and name   HN) (resid   44 and name HD12)
    or (resid   13 and name   HN) (resid   44 and name HD11)
    or (resid   13 and name   HN) (resid   44 and name HD13)
assign (resid 13 and name HN) (resid 11 and name HB1) 4.045 2.046 3.546 weight 1.000 ! spec=HNH, no=2653, id=2106, vol=3.330000e+05
assign (resid 35 and name HN) (resid 36 and name HD22) 3.620 1.638 3.138 weight 1.000 ! spec=HNH, no=2654, id=2107, vol=6.490000e+05
    or (resid   35 and name   HN) (resid   36 and name HD21)
    or (resid   35 and name   HN) (resid   36 and name HD23)
    or (resid   35 and name   HN) (resid   36 and name HD12)
    or (resid   35 and name   HN) (resid   36 and name HD11)
    or (resid   35 and name   HN) (resid   36 and name HD13)
assign (resid 35 and name HN) (resid 37 and name HB2) 4.112 2.113 3.613 weight 1.000 ! spec=HNH, no=2656, id=2109, vol=3.020000e+05
assign (resid 39 and name HN) (resid 35 and name HN) 3.949 1.949 3.449 weight 1.000 ! spec=HNH, no=2659, id=2112, vol=3.850000e+05
assign (resid 29 and name HN) (resid 28 and name HE2) 4.041 2.042 3.542 weight 1.000 ! spec=HNH, no=2661, id=2114, vol=3.350000e+05
    or (resid   29 and name   HN) (resid   28 and name  HE1)
assign (resid 82 and name HN) (resid 79 and name HG1) 3.961 1.961 3.461 weight 1.000 ! spec=HNH, no=2663, id=2116, vol=3.780000e+05
assign (resid 82 and name HN) (resid 83 and name HA) 3.836 1.840 3.34 weight 1.000 ! spec=HNH, no=2664, id=2117, vol=4.580000e+05
assign (resid 26 and name HN) (resid 23 and name HD12) 3.562 1.586 3.086 weight 1.000 ! spec=HNH, no=2667, id=2119, vol=7.150000e+05
    or (resid   26 and name   HN) (resid   23 and name HD11)
    or (resid   26 and name   HN) (resid   23 and name HD13)
assign (resid 26 and name HN) (resid 25 and name HG2) 3.486 1.519 3.019 weight 1.000 ! spec=HNH, no=2670, id=2121, vol=8.130000e+05
    or (resid   26 and name   HN) (resid   25 and name  HG1)
assign (resid 26 and name HN) (resid 24 and name HA) 3.536 1.563 3.063 weight 1.000 ! spec=HNH, no=2673, id=2123, vol=7.470000e+05
assign (resid 24 and name HN) (resid 26 and name HN) 3.488 1.520 3.02 weight 1.000 ! spec=HNH, no=2676, id=2125, vol=8.110000e+05
assign (resid 51 and name HN) (resid 49 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=2680, id=2127, vol=1.690000e+06
assign (resid 51 and name HN) (resid 48 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HNH, no=2681, id=2128, vol=1.490000e+06
assign (resid 51 and name HN) (resid 50 and name HG1) 2.711 0.918 2.418 weight 1.000 ! spec=HNH, no=2682, id=2129, vol=3.680000e+06
assign (resid 51 and name HN) (resid 51 and name HB1) 2.713 0.920 2.42 weight 1.000 ! spec=HNH, no=2685, id=2132, vol=3.660000e+06
assign (resid 38 and name HN) (resid 35 and name HB2) 3.138 1.231 2.731 weight 1.000 ! spec=HNH, no=2687, id=2134, vol=1.530000e+06
    or (resid   38 and name   HN) (resid   35 and name  HB1)
assign (resid 38 and name HN) (resid 39 and name HG2) 3.929 1.929 3.429 weight 1.000 ! spec=HNH, no=2688, id=2135, vol=3.970000e+05
assign (resid 40 and name HN) (resid 38 and name HN) 3.393 1.439 2.939 weight 1.000 ! spec=HNH, no=2689, id=2136, vol=9.560000e+05
assign (resid 57 and name HN) (resid 58 and name HB2) 3.241 1.313 2.813 weight 1.000 ! spec=HNH, no=2693, id=2140, vol=1.260000e+06
assign (resid 57 and name HN) (resid 58 and name HA) 4.060 2.060 3.56 weight 1.000 ! spec=HNH, no=2695, id=2142, vol=3.260000e+05
assign (resid 5 and name HN) (resid 6 and name HD1) 3.300 1.361 2.861 weight 1.000 ! spec=HNH, no=2699, id=2146, vol=1.130000e+06
    or (resid    5 and name   HN) (resid    6 and name  HD2)
assign (resid 22 and name HN) (resid 21 and name HA) 2.929 1.073 2.573 weight 1.000 ! spec=HNH, no=2704, id=2151, vol=2.310000e+06
assign (resid 22 and name HN) (resid 6 and name HD1) 3.648 1.664 3.164 weight 1.000 ! spec=HNH, no=2705, id=2152, vol=6.190000e+05
    or (resid   22 and name   HN) (resid    6 and name  HD2)
assign (resid 44 and name HN) (resid 41 and name HB2) 3.310 1.369 2.869 weight 1.000 ! spec=HNH, no=2708, id=2154, vol=1.110000e+06
    or (resid   44 and name   HN) (resid   41 and name  HB1)
    or (resid   44 and name   HN) (resid   41 and name  HB3)
assign (resid 60 and name HN) (resid 59 and name HE1) 3.817 1.821 3.321 weight 1.000 ! spec=HNH, no=2714, id=2160, vol=4.720000e+05
    or (resid   60 and name   HN) (resid   59 and name  HE2)
assign (resid 37 and name HN) (resid 35 and name HN) 3.144 1.236 2.736 weight 1.000 ! spec=HNH, no=2716, id=2162, vol=1.510000e+06
assign (resid 25 and name HN) (resid 23 and name HB2) 3.773 1.779 3.279 weight 1.000 ! spec=HNH, no=2723, id=2169, vol=5.060000e+05
assign (resid 25 and name HN) (resid 24 and name HA) 3.062 1.172 2.672 weight 1.000 ! spec=HNH, no=2727, id=2172, vol=1.770000e+06
assign (resid 54 and name HN) (resid 57 and name HB2) 4.001 2.001 3.501 weight 1.000 ! spec=HNH, no=2734, id=2179, vol=3.560000e+05
assign (resid 54 and name HN) (resid 56 and name HB2) 3.724 1.734 3.234 weight 1.000 ! spec=HNH, no=2735, id=2180, vol=5.470000e+05
    or (resid   54 and name   HN) (resid   56 and name  HB1)
    or (resid   54 and name   HN) (resid   56 and name  HB3)
assign (resid 54 and name HN) (resid 51 and name HD22) 3.232 1.306 2.806 weight 1.000 ! spec=HNH, no=2738, id=2183, vol=1.280000e+06
    or (resid   54 and name   HN) (resid   51 and name HD21)
    or (resid   54 and name   HN) (resid   51 and name HD23)
    or (resid   54 and name   HN) (resid   51 and name HD12)
    or (resid   54 and name   HN) (resid   51 and name HD11)
    or (resid   54 and name   HN) (resid   51 and name HD13)
assign (resid 68 and name HN) (resid 67 and name HG1) 3.530 1.558 3.058 weight 1.000 ! spec=HNH, no=2742, id=2187, vol=7.540000e+05
assign (resid 68 and name HN) (resid 65 and name HB1) 3.881 1.883 3.383 weight 1.000 ! spec=HNH, no=2745, id=2190, vol=4.270000e+05
assign (resid 68 and name HN) (resid 68 and name HB1) 2.983 1.113 2.613 weight 1.000 ! spec=HNH, no=2746, id=2191, vol=2.070000e+06
assign (resid 68 and name HN) (resid 68 and name HB2) 2.791 0.974 2.474 weight 1.000 ! spec=HNH, no=2747, id=2192, vol=3.090000e+06
assign (resid 68 and name HN) (resid 65 and name HA) 3.934 1.934 3.434 weight 1.000 ! spec=HNH, no=2749, id=2194, vol=3.940000e+05
assign (resid 68 and name HN) (resid 68 and name HD1) 2.491 0.776 2.276 weight 1.000 ! spec=HNH, no=2752, id=2197, vol=6.110000e+06
    or (resid   68 and name   HN) (resid   68 and name  HD2)
assign (resid 67 and name HN) (resid 68 and name HN) 2.686 0.902 2.402 weight 1.000 ! spec=HNH, no=2757, id=2199, vol=3.890000e+06
assign (resid 59 and name HN) (resid 62 and name HD22) 3.341 1.395 2.895 weight 1.000 ! spec=HNH, no=2760, id=2200, vol=1.050000e+06
    or (resid   59 and name   HN) (resid   62 and name HD21)
    or (resid   59 and name   HN) (resid   62 and name HD23)
assign (resid 20 and name HN) (resid 62 and name HD12) 3.793 1.799 3.299 weight 1.000 ! spec=HNH, no=2761, id=2201, vol=4.900000e+05
    or (resid   20 and name   HN) (resid   62 and name HD11)
    or (resid   20 and name   HN) (resid   62 and name HD13)
assign (resid 20 and name HN) (resid 18 and name HA) 3.711 1.721 3.221 weight 1.000 ! spec=HNH, no=2765, id=2205, vol=5.590000e+05
assign (resid 20 and name HN) (resid 22 and name HN) 3.772 1.778 3.278 weight 1.000 ! spec=HNH, no=2767, id=2206, vol=5.070000e+05
assign (resid 24 and name HN) (resid 23 and name HD22) 3.089 1.193 2.693 weight 1.000 ! spec=HNH, no=2770, id=2209, vol=1.680000e+06
    or (resid   24 and name   HN) (resid   23 and name HD21)
    or (resid   24 and name   HN) (resid   23 and name HD23)
assign (resid 24 and name HN) (resid 27 and name HD2) 3.977 1.977 3.477 weight 1.000 ! spec=HNH, no=2771, id=2210, vol=3.690000e+05
assign (resid 67 and name HN) (resid 66 and name HN) 2.993 1.120 2.62 weight 1.000 ! spec=HNH, no=2773, id=2211, vol=2.030000e+06
assign (resid 67 and name HN) (resid 68 and name HE1) 3.838 1.841 3.341 weight 1.000 ! spec=HNH, no=2774, id=2212, vol=4.570000e+05
    or (resid   67 and name   HN) (resid   68 and name  HE2)
assign (resid 67 and name HN) (resid 65 and name HN) 3.901 1.903 3.403 weight 1.000 ! spec=HNH, no=2775, id=2213, vol=4.140000e+05
assign (resid 67 and name HN) (resid 66 and name HA1) 3.563 1.587 3.087 weight 1.000 ! spec=HNH, no=2777, id=2215, vol=7.130000e+05
assign (resid 67 and name HN) (resid 66 and name HA2) 3.431 1.471 2.971 weight 1.000 ! spec=HNH, no=2778, id=2216, vol=8.950000e+05
assign (resid 67 and name HN) (resid 68 and name HB2) 3.919 1.920 3.42 weight 1.000 ! spec=HNH, no=2779, id=2217, vol=4.030000e+05
assign (resid 11 and name HN) (resid 7 and name HN) 3.325 1.382 2.882 weight 1.000 ! spec=HNH, no=2780, id=2218, vol=1.080000e+06
assign (resid 48 and name HN) (resid 51 and name HB2) 3.405 1.449 2.949 weight 1.000 ! spec=HNH, no=2788, id=2223, vol=9.370000e+05
assign (resid 48 and name HN) (resid 47 and name HG2) 3.054 1.166 2.666 weight 1.000 ! spec=HNH, no=2789, id=2224, vol=1.800000e+06
assign (resid 53 and name HN) (resid 52 and name HA2) 3.351 1.404 2.904 weight 1.000 ! spec=HNH, no=2792, id=2226, vol=1.030000e+06
assign (resid 62 and name HN) (resid 61 and name HN) 2.641 0.872 2.372 weight 1.000 ! spec=HNH, no=2796, id=2228, vol=4.300000e+06
assign (resid 69 and name HN) (resid 79 and name HD1) 3.780 1.786 3.286 weight 1.000 ! spec=HNH, no=2799, id=2230, vol=5.000000e+05
assign (resid 69 and name HN) (resid 68 and name HN) 3.523 1.551 3.051 weight 1.000 ! spec=HNH, no=2800, id=2231, vol=7.640000e+05
assign (resid 76 and name HN) (resid 32 and name HA) 2.986 1.114 2.614 weight 1.000 ! spec=HNH, no=2803, id=2234, vol=2.060000e+06
assign (resid 76 and name HN) (resid 71 and name HD12) 3.362 1.413 2.913 weight 1.000 ! spec=HNH, no=2806, id=2237, vol=1.010000e+06
    or (resid   76 and name   HN) (resid   71 and name HD11)
    or (resid   76 and name   HN) (resid   71 and name HD13)
assign (resid 43 and name HN) (resid 41 and name HN) 3.200 1.280 2.78 weight 1.000 ! spec=HNH, no=2809, id=2239, vol=1.360000e+06
assign (resid 41 and name HN) (resid 40 and name HN) 2.387 0.712 2.212 weight 1.000 ! spec=HNH, no=2810, id=2240, vol=7.890000e+06
assign (resid 24 and name HN) (resid 23 and name HN) 2.459 0.756 2.256 weight 1.000 ! spec=HNH, no=2811, id=2241, vol=6.610000e+06
assign (resid 23 and name HN) (resid 24 and name HA) 3.705 1.716 3.216 weight 1.000 ! spec=HNH, no=2815, id=2245, vol=5.640000e+05
assign (resid 23 and name HN) (resid 23 and name HD22) 2.744 0.941 2.441 weight 1.000 ! spec=HNH, no=2818, id=2248, vol=3.420000e+06
    or (resid   23 and name   HN) (resid   23 and name HD21)
    or (resid   23 and name   HN) (resid   23 and name HD23)
assign (resid 47 and name HN) (resid 47 and name HE2) 3.840 1.844 3.344 weight 1.000 ! spec=HNH, no=2819, id=2249, vol=4.550000e+05
    or (resid   47 and name   HN) (resid   47 and name  HE1)
assign (resid 47 and name HN) (resid 47 and name HA) 2.669 0.890 2.39 weight 1.000 ! spec=HNH, no=2820, id=2250, vol=4.040000e+06
assign (resid 3 and name HN) (resid 4 and name HN) 3.173 1.259 2.759 weight 1.000 ! spec=HNH, no=2825, id=2255, vol=1.430000e+06
assign (resid 4 and name HN) (resid 6 and name HN) 3.398 1.443 2.943 weight 1.000 ! spec=HNH, no=2827, id=2256, vol=9.490000e+05
assign (resid 4 and name HN) (resid 6 and name HD1) 3.846 1.849 3.349 weight 1.000 ! spec=HNH, no=2828, id=2257, vol=4.510000e+05
    or (resid    4 and name   HN) (resid    6 and name  HD2)
assign (resid 4 and name HN) (resid 4 and name HE2) 3.718 1.727 3.227 weight 1.000 ! spec=HNH, no=2830, id=2259, vol=5.530000e+05
    or (resid    4 and name   HN) (resid    4 and name  HE1)
assign (resid 86 and name HN) (resid 87 and name HN) 2.311 0.667 2.167 weight 1.000 ! spec=HNH, no=2834, id=2261, vol=9.590000e+06
assign (resid 62 and name HN) (resid 61 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=2837, id=2264, vol=1.690000e+06
assign (resid 62 and name HN) (resid 64 and name HN) 3.413 1.456 2.956 weight 1.000 ! spec=HNH, no=2840, id=2267, vol=9.240000e+05
assign (resid 11 and name HN) (resid 14 and name HG2) 3.594 1.615 3.115 weight 1.000 ! spec=HNH, no=2841, id=2268, vol=6.770000e+05
assign (resid 55 and name HN) (resid 37 and name HD22) 3.141 1.233 2.733 weight 1.000 ! spec=HNH, no=2853, id=2279, vol=1.520000e+06
    or (resid   55 and name   HN) (resid   37 and name HD21)
    or (resid   55 and name   HN) (resid   37 and name HD23)
    or (resid   55 and name   HN) (resid   37 and name HD12)
    or (resid   55 and name   HN) (resid   37 and name HD11)
    or (resid   55 and name   HN) (resid   37 and name HD13)
assign (resid 6 and name HN) (resid 11 and name HD22) 3.200 1.280 2.78 weight 1.000 ! spec=HNH, no=2856, id=2282, vol=1.360000e+06
    or (resid    6 and name   HN) (resid   11 and name HD21)
    or (resid    6 and name   HN) (resid   11 and name HD23)
assign (resid 6 and name HN) (resid 5 and name HB2) 2.748 0.944 2.444 weight 1.000 ! spec=HNH, no=2857, id=2283, vol=3.390000e+06
    or (resid    6 and name   HN) (resid    5 and name  HB1)
assign (resid 7 and name HN) (resid 6 and name HN) 3.114 1.212 2.712 weight 1.000 ! spec=HNH, no=2860, id=2286, vol=1.600000e+06
assign (resid 12 and name HN) (resid 14 and name HN) 2.965 1.099 2.599 weight 1.000 ! spec=HNH, no=2861, id=2287, vol=2.150000e+06
assign (resid 13 and name HN) (resid 14 and name HN) 2.082 0.542 2.042 weight 1.000 ! spec=HNH, no=2862, id=2288, vol=1.790000e+07
assign (resid 14 and name HN) (resid 11 and name HB1) 3.963 1.963 3.463 weight 1.000 ! spec=HNH, no=2863, id=2289, vol=3.770000e+05
assign (resid 81 and name HN) (resid 78 and name HB2) 3.232 1.306 2.806 weight 1.000 ! spec=HNH, no=2864, id=2290, vol=1.280000e+06
assign (resid 21 and name HN) (resid 18 and name HN) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=2869, id=2294, vol=9.900000e+05
assign (resid 18 and name HN) (resid 14 and name HB2) 3.576 1.598 3.098 weight 1.000 ! spec=HNH, no=2871, id=2296, vol=6.980000e+05
    or (resid   18 and name   HN) (resid   14 and name  HB1)
assign (resid 71 and name HN) (resid 75 and name HB) 4.058 2.058 3.558 weight 1.000 ! spec=HNH, no=2882, id=2302, vol=3.270000e+05
assign (resid 71 and name HN) (resid 75 and name HN) 3.655 1.670 3.17 weight 1.000 ! spec=HNH, no=2883, id=2303, vol=6.120000e+05
assign (resid 65 and name HN) (resid 66 and name HN) 3.335 1.391 2.891 weight 1.000 ! spec=HNH, no=2884, id=2304, vol=1.060000e+06
assign (resid 65 and name HN) (resid 68 and name HD1) 3.670 1.684 3.184 weight 1.000 ! spec=HNH, no=2885, id=2305, vol=5.970000e+05
    or (resid   65 and name   HN) (resid   68 and name  HD2)
assign (resid 43 and name HN) (resid 42 and name HA) 2.942 1.082 2.582 weight 1.000 ! spec=HNH, no=2889, id=2308, vol=2.250000e+06
assign (resid 42 and name HN) (resid 43 and name HN) 2.305 0.664 2.164 weight 1.000 ! spec=HNH, no=2890, id=2309, vol=9.740000e+06
assign (resid 36 and name HN) (resid 40 and name HD12) 4.096 2.097 3.597 weight 1.000 ! spec=HNH, no=2891, id=2310, vol=3.090000e+05
    or (resid   36 and name   HN) (resid   40 and name HD11)
    or (resid   36 and name   HN) (resid   40 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HD22) 2.889 1.043 2.543 weight 1.000 ! spec=HNH, no=2892, id=2311, vol=2.510000e+06
    or (resid   36 and name   HN) (resid   36 and name HD21)
    or (resid   36 and name   HN) (resid   36 and name HD23)
    or (resid   36 and name   HN) (resid   36 and name HD12)
    or (resid   36 and name   HN) (resid   36 and name HD11)
    or (resid   36 and name   HN) (resid   36 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HG) 2.929 1.073 2.573 weight 1.000 ! spec=HNH, no=2893, id=2312, vol=2.310000e+06
assign (resid 34 and name HN) (resid 36 and name HN) 3.305 1.365 2.865 weight 1.000 ! spec=HNH, no=2898, id=2316, vol=1.120000e+06
assign (resid 87 and name HN) (resid 89 and name HB1) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=2900, id=2317, vol=1.950000e+06
assign (resid 87 and name HN) (resid 86 and name HB2) 3.034 1.151 2.651 weight 1.000 ! spec=HNH, no=2901, id=2318, vol=1.870000e+06
assign (resid 56 and name HN) (resid 52 and name HA1) 3.736 1.744 3.244 weight 1.000 ! spec=HNH, no=2909, id=2324, vol=5.370000e+05
assign (resid 93 and name HN) (resid 86 and name HG2) 3.404 1.449 2.949 weight 1.000 ! spec=HNH, no=2913, id=2328, vol=9.380000e+05
assign (resid 93 and name HN) (resid 21 and name HE1) 2.993 1.120 2.62 weight 1.000 ! spec=HNH, no=2914, id=2329, vol=2.030000e+06
assign (resid 93 and name HN) (resid 92 and name HN) 2.363 0.698 2.198 weight 1.000 ! spec=HNH, no=2915, id=2330, vol=8.380000e+06
assign (resid 39 and name HN) (resid 23 and name HD22) 2.925 1.070 2.57 weight 1.000 ! spec=HNH, no=2918, id=2333, vol=2.330000e+06
    or (resid   39 and name   HN) (resid   23 and name HD21)
    or (resid   39 and name   HN) (resid   23 and name HD23)
assign (resid 89 and name HN) (resid 87 and name HB2) 3.656 1.671 3.171 weight 1.000 ! spec=HNH, no=2927, id=2342, vol=6.110000e+05
assign (resid 92 and name HN) (resid 92 and name HB1) 2.512 0.789 2.289 weight 1.000 ! spec=HNH, no=2939, id=2354, vol=5.810000e+06
assign (resid 92 and name HN) (resid 90 and name HG2) 3.208 1.286 2.786 weight 1.000 ! spec=HNH, no=2941, id=2356, vol=1.340000e+06
    or (resid   92 and name   HN) (resid   90 and name  HG1)
assign (resid 88 and name HN) (resid 88 and name HA) 2.283 0.652 2.152 weight 1.000 ! spec=HNH, no=2948, id=2361, vol=1.030000e+07
assign (resid 88 and name HN) (resid 86 and name HG1) 3.662 1.677 3.177 weight 1.000 ! spec=HNH, no=2957, id=2368, vol=6.050000e+05
assign (resid 95 and name HN) (resid 94 and name HA) 3.200 1.280 2.78 weight 1.000 ! spec=HNH, no=2960, id=2371, vol=1.360000e+06
assign (resid 79 and name HN) (resid 79 and name HD1) 3.675 1.688 3.188 weight 1.000 ! spec=HNH, no=2965, id=2374, vol=5.930000e+05
assign (resid 56 and name HN) (resid 33 and name HZ) 3.755 1.762 3.262 weight 1.000 ! spec=HNH, no=2966, id=2375, vol=5.210000e+05
assign (resid 90 and name HN) (resid 88 and name HB2) 3.855 1.857 3.357 weight 1.000 ! spec=HNH, no=2969, id=2378, vol=4.450000e+05
    or (resid   90 and name   HN) (resid   88 and name  HB1)
assign (resid 67 and name HN) (resid 68 and name HA) 3.982 1.982 3.482 weight 1.000 ! spec=HNH, no=2978, id=2385, vol=3.660000e+05
assign (resid 67 and name HN) (resid 21 and name HD2) 4.172 2.175 3.675 weight 1.000 ! spec=HNH, no=2979, id=2386, vol=2.770000e+05
assign (resid 81 and name HE1) (resid 29 and name HN) 3.881 1.883 3.383 weight 1.000 ! spec=HNH, no=2981, id=2388, vol=4.270000e+05
assign (resid 81 and name HE1) (resid 80 and name HN) 3.984 1.984 3.484 weight 1.000 ! spec=HNH, no=2982, id=2389, vol=3.650000e+05
assign (resid 81 and name HE1) (resid 78 and name HN) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=2985, id=2391, vol=2.730000e+05
assign (resid 81 and name HE1) (resid 24 and name HB1) 4.278 2.288 3.788 weight 1.000 ! spec=HNH, no=2987, id=2393, vol=2.380000e+05
assign (resid 81 and name HE1) (resid 81 and name HB1) 4.169 2.173 3.673 weight 1.000 ! spec=HNH, no=2988, id=2394, vol=2.780000e+05
assign (resid 81 and name HE1) (resid 25 and name HG2) 4.116 2.118 3.618 weight 1.000 ! spec=HNH, no=2989, id=2395, vol=3.000000e+05
    or (resid   81 and name  HE1) (resid   25 and name  HG1)
assign (resid 76 and name HE1) (resid 62 and name HB1) 4.312 2.324 3.824 weight 1.000 ! spec=HNH, no=2990, id=2396, vol=2.270000e+05
assign (resid 76 and name HE1) (resid 74 and name HG2) 4.372 2.389 3.889 weight 1.000 ! spec=HNH, no=2992, id=2398, vol=2.090000e+05
    or (resid   76 and name  HE1) (resid   74 and name  HG1)
assign (resid 76 and name HE1) (resid 59 and name HB1) 4.512 2.545 4.045 weight 1.000 ! spec=HNH, no=2993, id=2399, vol=1.730000e+05
assign (resid 76 and name HE1) (resid 76 and name HA) 4.272 2.282 3.782 weight 1.000 ! spec=HNH, no=2998, id=2401, vol=2.400000e+05
assign (resid 76 and name HE1) (resid 76 and name HE3) 3.925 1.926 3.426 weight 1.000 ! spec=HNH, no=2999, id=2402, vol=3.990000e+05
assign (resid 76 and name HE1) (resid 62 and name HN) 4.345 2.360 3.86 weight 1.000 ! spec=HNH, no=3001, id=2404, vol=2.170000e+05
assign (resid 33 and name HN) (resid 34 and name HG2) 4.227 2.233 3.733 weight 1.000 ! spec=HNH, no=3006, id=2408, vol=2.560000e+05
assign (resid 33 and name HN) (resid 36 and name HB2) 3.975 1.975 3.475 weight 1.000 ! spec=HNH, no=3007, id=2409, vol=3.700000e+05
assign (resid 33 and name HN) (resid 36 and name HB1) 4.335 2.349 3.849 weight 1.000 ! spec=HNH, no=3008, id=2410, vol=2.200000e+05
assign (resid 33 and name HN) (resid 62 and name HD22) 4.393 2.413 3.913 weight 1.000 ! spec=HNH, no=3009, id=2411, vol=2.030000e+05
    or (resid   33 and name   HN) (resid   62 and name HD21)
    or (resid   33 and name   HN) (resid   62 and name HD23)
assign (resid 7 and name HN) (resid 6 and name HE1) 3.930 1.931 3.431 weight 1.000 ! spec=HNH, no=3012, id=2413, vol=3.960000e+05
    or (resid    7 and name   HN) (resid    6 and name  HE2)
assign (resid 7 and name HN) (resid 14 and name HE2) 4.408 2.429 3.929 weight 1.000 ! spec=HNH, no=3013, id=2414, vol=1.990000e+05
    or (resid    7 and name   HN) (resid   14 and name  HE1)
    or (resid    7 and name   HN) (resid   14 and name  HE3)
assign (resid 34 and name HN) (resid 74 and name HE22) 3.805 1.810 3.31 weight 1.000 ! spec=HNH, no=3020, id=2418, vol=4.810000e+05
assign (resid 34 and name HN) (resid 75 and name HA) 4.557 2.596 4.096 weight 1.000 ! spec=HNH, no=3021, id=2419, vol=1.630000e+05
assign (resid 34 and name HN) (resid 74 and name HA) 4.147 2.150 3.65 weight 1.000 ! spec=HNH, no=3022, id=2420, vol=2.870000e+05
assign (resid 34 and name HN) (resid 74 and name HG2) 3.627 1.645 3.145 weight 1.000 ! spec=HNH, no=3023, id=2421, vol=6.410000e+05
    or (resid   34 and name   HN) (resid   74 and name  HG1)
assign (resid 34 and name HN) (resid 36 and name HB2) 4.006 2.006 3.506 weight 1.000 ! spec=HNH, no=3024, id=2422, vol=3.530000e+05
assign (resid 53 and name HN) (resid 54 and name HA) 4.552 2.590 4.09 weight 1.000 ! spec=HNH, no=3029, id=2426, vol=1.640000e+05
assign (resid 48 and name HN) (resid 55 and name HD12) 4.328 2.342 3.842 weight 1.000 ! spec=HNH, no=3033, id=2430, vol=2.220000e+05
    or (resid   48 and name   HN) (resid   55 and name HD11)
    or (resid   48 and name   HN) (resid   55 and name HD13)
assign (resid 48 and name HN) (resid 49 and name HG2) 4.434 2.458 3.958 weight 1.000 ! spec=HNH, no=3035, id=2431, vol=1.920000e+05
assign (resid 8 and name HN) (resid 11 and name HN) 4.107 2.109 3.609 weight 1.000 ! spec=HNH, no=3046, id=2437, vol=3.040000e+05
assign (resid 3 and name HN) (resid 5 and name HN) 4.562 2.601 4.101 weight 1.000 ! spec=HNH, no=3050, id=2438, vol=1.620000e+05
assign (resid 67 and name HN) (resid 95 and name HD2) 4.486 2.516 4.016 weight 1.000 ! spec=HNH, no=3054, id=2442, vol=1.790000e+05
assign (resid 28 and name HN) (resid 26 and name HB1) 4.004 2.004 3.504 weight 1.000 ! spec=HNH, no=3066, id=2447, vol=3.540000e+05
assign (resid 28 and name HN) (resid 28 and name HE2) 4.269 2.279 3.779 weight 1.000 ! spec=HNH, no=3067, id=2448, vol=2.410000e+05
    or (resid   28 and name   HN) (resid   28 and name  HE1)
assign (resid 66 and name HN) (resid 66 and name HA2) 3.671 1.685 3.185 weight 1.000 ! spec=HNH, no=3074, id=2454, vol=5.960000e+05
assign (resid 15 and name HN) (resid 19 and name HN) 4.066 2.067 3.567 weight 1.000 ! spec=HNH, no=3100, id=2460, vol=3.230000e+05
assign (resid 69 and name HN) (resid 67 and name HN) 4.142 2.145 3.645 weight 1.000 ! spec=HNH, no=3101, id=2461, vol=2.890000e+05
assign (resid 61 and name HN) (resid 59 and name HD1) 4.412 2.433 3.933 weight 1.000 ! spec=HNH, no=3103, id=2462, vol=1.980000e+05
    or (resid   61 and name   HN) (resid   59 and name  HD2)
assign (resid 16 and name HN) (resid 58 and name HE1) 4.241 2.248 3.748 weight 1.000 ! spec=HNH, no=3110, id=2466, vol=2.510000e+05
    or (resid   16 and name   HN) (resid   58 and name  HE2)
assign (resid 76 and name HN) (resid 32 and name HB2) 4.094 2.095 3.595 weight 1.000 ! spec=HNH, no=3119, id=2471, vol=3.100000e+05
assign (resid 23 and name HN) (resid 18 and name HA) 4.246 2.254 3.754 weight 1.000 ! spec=HNH, no=3126, id=2478, vol=2.490000e+05
assign (resid 41 and name HN) (resid 39 and name HG1) 4.393 2.413 3.913 weight 1.000 ! spec=HNH, no=3127, id=2479, vol=2.030000e+05
assign (resid 41 and name HN) (resid 38 and name HB1) 4.442 2.466 3.966 weight 1.000 ! spec=HNH, no=3128, id=2480, vol=1.900000e+05
assign (resid 24 and name HN) (resid 62 and name HD12) 4.486 2.516 4.016 weight 1.000 ! spec=HNH, no=3131, id=2481, vol=1.790000e+05
    or (resid   24 and name   HN) (resid   62 and name HD11)
    or (resid   24 and name   HN) (resid   62 and name HD13)
assign (resid 9 and name HN) (resid 9 and name HB1) 2.435 0.741 2.241 weight 1.000 ! spec=HNH, no=3137, id=2486, vol=7.000000e+06
assign (resid 21 and name HN) (resid 58 and name HZ) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=3140, id=2488, vol=2.730000e+05
assign (resid 21 and name HN) (resid 24 and name HB1) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=3141, id=2489, vol=2.730000e+05
assign (resid 71 and name HN) (resid 76 and name HE3) 4.060 2.060 3.56 weight 1.000 ! spec=HNH, no=3145, id=2492, vol=3.260000e+05
assign (resid 65 and name HN) (resid 60 and name HG21) 4.345 2.360 3.86 weight 1.000 ! spec=HNH, no=3149, id=2494, vol=2.170000e+05
    or (resid   65 and name   HN) (resid   60 and name HG22)
    or (resid   65 and name   HN) (resid   60 and name HG23)
assign (resid 65 and name HN) (resid 68 and name HB2) 4.184 2.188 3.688 weight 1.000 ! spec=HNH, no=3151, id=2496, vol=2.720000e+05
assign (resid 56 and name HN) (resid 59 and name HB2) 4.172 2.175 3.675 weight 1.000 ! spec=HNH, no=3156, id=2500, vol=2.770000e+05
assign (resid 39 and name HN) (resid 23 and name HD12) 3.759 1.767 3.267 weight 1.000 ! spec=HNH, no=3169, id=2510, vol=5.170000e+05
    or (resid   39 and name   HN) (resid   23 and name HD11)
    or (resid   39 and name   HN) (resid   23 and name HD13)
assign (resid 90 and name HN) (resid 91 and name HG21) 4.135 2.137 3.637 weight 1.000 ! spec=HNH, no=3174, id=2515, vol=2.920000e+05
    or (resid   90 and name   HN) (resid   91 and name HG22)
    or (resid   90 and name   HN) (resid   91 and name HG23)
assign (resid 4 and name HN) (resid 22 and name HG2) 4.397 2.417 3.917 weight 1.000 ! spec=HNH, no=3182, id=2520, vol=2.020000e+05
assign (resid 25 and name HN) (resid 28 and name HG2) 4.351 2.367 3.867 weight 1.000 ! spec=HNH, no=3193, id=2528, vol=2.150000e+05
    or (resid   25 and name   HN) (resid   28 and name  HG1)
assign (resid 25 and name HN) (resid 3 and name HG11) 4.362 2.378 3.878 weight 1.000 ! spec=HNH, no=3194, id=2529, vol=2.120000e+05
assign (resid 25 and name HN) (resid 20 and name HB2) 4.454 2.480 3.98 weight 1.000 ! spec=HNH, no=3195, id=2530, vol=1.870000e+05
    or (resid   25 and name   HN) (resid   20 and name  HB1)
    or (resid   25 and name   HN) (resid   20 and name  HB3)
assign (resid 25 and name HN) (resid 28 and name HE2) 4.029 2.030 3.53 weight 1.000 ! spec=HNH, no=3198, id=2533, vol=3.410000e+05
    or (resid   25 and name   HN) (resid   28 and name  HE1)
assign (resid 25 and name HN) (resid 28 and name HA) 4.126 2.128 3.628 weight 1.000 ! spec=HNH, no=3199, id=2534, vol=2.960000e+05
assign (resid 25 and name HN) (resid 28 and name HN) 4.119 2.120 3.62 weight 1.000 ! spec=HNH, no=3201, id=2536, vol=2.990000e+05
assign (resid 54 and name HN) (resid 54 and name HE) 4.140 2.142 3.642 weight 1.000 ! spec=HNH, no=3202, id=2537, vol=2.900000e+05
assign (resid 59 and name HN) (resid 57 and name HG1) 4.159 2.162 3.662 weight 1.000 ! spec=HNH, no=3210, id=2542, vol=2.820000e+05
assign (resid 59 and name HN) (resid 58 and name HB2) 2.739 0.937 2.437 weight 1.000 ! spec=HNH, no=3212, id=2544, vol=3.460000e+06
assign (resid 72 and name HN) (resid 75 and name HG21) 4.427 2.449 3.949 weight 1.000 ! spec=HNH, no=3223, id=2548, vol=1.940000e+05
    or (resid   72 and name   HN) (resid   75 and name HG22)
    or (resid   72 and name   HN) (resid   75 and name HG23)
assign (resid 80 and name HN) (resid 68 and name HA) 4.315 2.328 3.828 weight 1.000 ! spec=HNH, no=3229, id=2552, vol=2.260000e+05
assign (resid 74 and name HN) (resid 72 and name HB1) 3.249 1.320 2.82 weight 1.000 ! spec=HNH, no=3233, id=2556, vol=1.240000e+06
assign (resid 74 and name HN) (resid 74 and name HE22) 3.906 1.907 3.407 weight 1.000 ! spec=HNH, no=3235, id=2558, vol=4.110000e+05
assign (resid 43 and name HN) (resid 39 and name HG2) 4.309 2.321 3.821 weight 1.000 ! spec=HNH, no=3244, id=2559, vol=2.280000e+05
assign (resid 36 and name HN) (resid 33 and name HN) 4.142 2.145 3.645 weight 1.000 ! spec=HNH, no=3247, id=2561, vol=2.890000e+05
assign (resid 36 and name HN) (resid 38 and name HB2) 4.085 2.086 3.586 weight 1.000 ! spec=HNH, no=3251, id=2565, vol=3.140000e+05
assign (resid 36 and name HN) (resid 33 and name HB1) 4.328 2.342 3.842 weight 1.000 ! spec=HNH, no=3252, id=2566, vol=2.220000e+05
assign (resid 93 and name HN) (resid 95 and name HD2) 4.126 2.128 3.628 weight 1.000 ! spec=HNH, no=3256, id=2570, vol=2.960000e+05
assign (resid 86 and name HN) (resid 86 and name HE21) 3.777 1.783 3.283 weight 1.000 ! spec=HNH, no=3258, id=2572, vol=5.030000e+05
assign (resid 55 and name HN) (resid 33 and name HZ) 3.898 1.899 3.399 weight 1.000 ! spec=HNH, no=3270, id=2579, vol=4.160000e+05
assign (resid 10 and name HN) (resid 11 and name HB1) 3.770 1.777 3.277 weight 1.000 ! spec=HNH, no=3274, id=2582, vol=5.080000e+05
assign (resid 82 and name HN) (resid 81 and name HD1) 3.617 1.635 3.135 weight 1.000 ! spec=HNH, no=3281, id=2589, vol=6.520000e+05
assign (resid 26 and name HN) (resid 23 and name HG) 4.001 2.001 3.501 weight 1.000 ! spec=HNH, no=3285, id=2593, vol=3.560000e+05
assign (resid 26 and name HN) (resid 78 and name HD12) 4.177 2.180 3.68 weight 1.000 ! spec=HNH, no=3287, id=2595, vol=2.750000e+05
    or (resid   26 and name   HN) (resid   78 and name HD11)
    or (resid   26 and name   HN) (resid   78 and name HD13)
assign (resid 60 and name HN) (resid 62 and name HD22) 4.033 2.034 3.534 weight 1.000 ! spec=HNH, no=3296, id=2599, vol=3.390000e+05
    or (resid   60 and name   HN) (resid   62 and name HD21)
    or (resid   60 and name   HN) (resid   62 and name HD23)
assign (resid 57 and name HE21) (resid 61 and name HN) 3.362 1.413 2.913 weight 1.000 ! spec=HNH, no=3303, id=2604, vol=1.010000e+06
assign (resid 57 and name HE21) (resid 64 and name HD12) 3.770 1.777 3.277 weight 1.000 ! spec=HNH, no=3305, id=2606, vol=5.080000e+05
    or (resid   57 and name HE21) (resid   64 and name HD11)
    or (resid   57 and name HE21) (resid   64 and name HD13)
assign (resid 64 and name HN) (resid 62 and name HD12) 4.383 2.401 3.901 weight 1.000 ! spec=HNH, no=3311, id=2610, vol=2.060000e+05
    or (resid   64 and name   HN) (resid   62 and name HD11)
    or (resid   64 and name   HN) (resid   62 and name HD13)
assign (resid 64 and name HN) (resid 62 and name HA) 4.145 2.147 3.647 weight 1.000 ! spec=HNH, no=3312, id=2611, vol=2.880000e+05
assign (resid 64 and name HN) (resid 61 and name HN) 4.235 2.242 3.742 weight 1.000 ! spec=HNH, no=3313, id=2612, vol=2.530000e+05
assign (resid 86 and name HE21) (resid 83 and name HA) 4.154 2.157 3.657 weight 1.000 ! spec=HNH, no=3315, id=2614, vol=2.840000e+05
assign (resid 86 and name HE21) (resid 85 and name HB2) 4.029 2.030 3.53 weight 1.000 ! spec=HNH, no=3318, id=2617, vol=3.410000e+05
    or (resid   86 and name HE21) (resid   85 and name  HB1)
assign (resid 86 and name HE21) (resid 86 and name HB1) 3.756 1.763 3.263 weight 1.000 ! spec=HNH, no=3320, id=2618, vol=5.200000e+05
assign (resid 34 and name HN) (resid 34 and name HE21) 3.925 1.926 3.426 weight 1.000 ! spec=HNH, no=3324, id=2619, vol=3.990000e+05
assign (resid 42 and name HN) (resid 40 and name HD12) 4.205 2.210 3.71 weight 1.000 ! spec=HNH, no=3328, id=2621, vol=2.640000e+05
    or (resid   42 and name   HN) (resid   40 and name HD11)
    or (resid   42 and name   HN) (resid   40 and name HD13)
assign (resid 42 and name HN) (resid 39 and name HG2) 4.110 2.111 3.611 weight 1.000 ! spec=HNH, no=3329, id=2622, vol=3.030000e+05
assign (resid 42 and name HN) (resid 38 and name HB1) 3.964 1.965 3.465 weight 1.000 ! spec=HNH, no=3330, id=2623, vol=3.760000e+05
assign (resid 42 and name HN) (resid 48 and name HE2) 4.275 2.285 3.785 weight 1.000 ! spec=HNH, no=3331, id=2624, vol=2.390000e+05
    or (resid   42 and name   HN) (resid   48 and name  HE1)
assign (resid 45 and name HN) (resid 41 and name HN) 4.438 2.462 3.962 weight 1.000 ! spec=HNH, no=3333, id=2625, vol=1.910000e+05
assign (resid 81 and name HN) (resid 79 and name HB2) 3.846 1.849 3.349 weight 1.000 ! spec=HNH, no=3348, id=2631, vol=4.510000e+05
assign (resid 81 and name HN) (resid 82 and name HB1) 3.450 1.488 2.988 weight 1.000 ! spec=HNH, no=3349, id=2632, vol=8.660000e+05
assign (resid 14 and name HN) (resid 11 and name HN) 4.083 2.084 3.584 weight 1.000 ! spec=HNH, no=3351, id=2634, vol=3.150000e+05
assign (resid 11 and name HN) (resid 6 and name HN) 4.358 2.374 3.874 weight 1.000 ! spec=HNH, no=3353, id=2635, vol=2.130000e+05
assign (resid 57 and name HE22) (resid 64 and name HD12) 3.685 1.697 3.197 weight 1.000 ! spec=HNH, no=3365, id=2644, vol=5.830000e+05
    or (resid   57 and name HE22) (resid   64 and name HD11)
    or (resid   57 and name HE22) (resid   64 and name HD13)
assign (resid 76 and name HZ2) (resid 36 and name HD22) 4.098 2.100 3.6 weight 1.000 ! spec=HNH, no=3366, id=2645, vol=3.080000e+05
    or (resid   76 and name  HZ2) (resid   36 and name HD21)
    or (resid   76 and name  HZ2) (resid   36 and name HD23)
    or (resid   76 and name  HZ2) (resid   36 and name HD12)
    or (resid   76 and name  HZ2) (resid   36 and name HD11)
    or (resid   76 and name  HZ2) (resid   36 and name HD13)
assign (resid 5 and name HE21) (resid 5 and name HB2) 3.320 1.378 2.878 weight 1.000 ! spec=HNH, no=3377, id=2649, vol=1.090000e+06
    or (resid    5 and name HE21) (resid    5 and name  HB1)
assign (resid 8 and name HE21) (resid 8 and name HB1) 3.533 1.560 3.06 weight 1.000 ! spec=HNH, no=3379, id=2651, vol=7.510000e+05
assign (resid 8 and name HE21) (resid 12 and name HA) 3.600 1.620 3.12 weight 1.000 ! spec=HNH, no=3380, id=2652, vol=6.710000e+05
assign (resid 62 and name HN) (resid 63 and name HD21) 3.853 1.856 3.356 weight 1.000 ! spec=HNH, no=3384, id=2655, vol=4.460000e+05
assign (resid 27 and name HD2) (resid 36 and name HN) 4.450 2.475 3.975 weight 1.000 ! spec=HNH, no=3386, id=2656, vol=1.880000e+05
assign (resid 63 and name HD21) (resid 59 and name HD1) 3.585 1.607 3.107 weight 1.000 ! spec=HNH, no=3387, id=2657, vol=6.870000e+05
    or (resid   63 and name HD21) (resid   59 and name  HD2)
assign (resid 63 and name HD21) (resid 59 and name HA) 3.982 1.982 3.482 weight 1.000 ! spec=HNH, no=3388, id=2658, vol=3.660000e+05
assign (resid 63 and name HD21) (resid 76 and name HH2) 3.533 1.561 3.061 weight 1.000 ! spec=HNH, no=3389, id=2659, vol=7.500000e+05
assign (resid 63 and name HN) (resid 61 and name HA) 3.452 1.489 2.989 weight 1.000 ! spec=HNH, no=3392, id=2661, vol=8.630000e+05
assign (resid 63 and name HN) (resid 65 and name HB2) 4.264 2.272 3.772 weight 1.000 ! spec=HNH, no=3393, id=2662, vol=2.430000e+05
assign (resid 34 and name HE22) (resid 37 and name HA) 4.412 2.433 3.933 weight 1.000 ! spec=HNH, no=3398, id=2666, vol=1.980000e+05
assign (resid 8 and name HE22) (resid 8 and name HB2) 3.597 1.617 3.117 weight 1.000 ! spec=HNH, no=3400, id=2668, vol=6.740000e+05
assign (resid 8 and name HE22) (resid 8 and name HB1) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=3401, id=2669, vol=4.520000e+05
assign (resid 8 and name HE22) (resid 43 and name HB2) 4.269 2.279 3.779 weight 1.000 ! spec=HNH, no=3402, id=2670, vol=2.410000e+05
assign (resid 8 and name HE22) (resid 3 and name HG12) 4.430 2.454 3.954 weight 1.000 ! spec=HNH, no=3404, id=2672, vol=1.930000e+05
assign (resid 75 and name HN) (resid 70 and name HB2) 3.964 1.965 3.465 weight 1.000 ! spec=HNH, no=3405, id=2673, vol=3.760000e+05
    or (resid   75 and name   HN) (resid   70 and name  HB1)
    or (resid   75 and name   HN) (resid   70 and name  HB3)
assign (resid 75 and name HN) (resid 71 and name HD22) 4.037 2.038 3.538 weight 1.000 ! spec=HNH, no=3406, id=2674, vol=3.370000e+05
    or (resid   75 and name   HN) (resid   71 and name HD21)
    or (resid   75 and name   HN) (resid   71 and name HD23)
assign (resid 75 and name HN) (resid 73 and name HB1) 4.037 2.038 3.538 weight 1.000 ! spec=HNH, no=3409, id=2677, vol=3.370000e+05
assign (resid 75 and name HN) (resid 73 and name HB2) 4.218 2.224 3.724 weight 1.000 ! spec=HNH, no=3410, id=2678, vol=2.590000e+05
assign (resid 75 and name HN) (resid 70 and name HA) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=3411, id=2679, vol=2.730000e+05
assign (resid 74 and name HE22) (resid 35 and name HG1) 3.105 1.205 2.705 weight 1.000 ! spec=HNH, no=3429, id=2685, vol=1.630000e+06
assign (resid 29 and name HN) (resid 81 and name HZ2) 3.008 1.131 2.631 weight 1.000 ! spec=HNH, no=3438, id=2690, vol=1.970000e+06
assign (resid 29 and name HN) (resid 78 and name HD12) 4.446 2.471 3.971 weight 1.000 ! spec=HNH, no=3441, id=2692, vol=1.890000e+05
    or (resid   29 and name   HN) (resid   78 and name HD11)
    or (resid   29 and name   HN) (resid   78 and name HD13)
assign (resid 92 and name HN) (resid 92 and name HE21) 4.070 2.071 3.571 weight 1.000 ! spec=HNH, no=3447, id=2698, vol=3.210000e+05
assign (resid 92 and name HE21) (resid 92 and name HB2) 3.793 1.799 3.299 weight 1.000 ! spec=HNH, no=3453, id=2702, vol=4.900000e+05
assign (resid 61 and name HN) (resid 62 and name HB1) 4.232 2.239 3.739 weight 1.000 ! spec=HNH, no=3457, id=2705, vol=2.540000e+05
assign (resid 85 and name HN) (resid 84 and name HB1) 2.615 0.855 2.355 weight 1.000 ! spec=HNH, no=3463, id=2710, vol=4.560000e+06
assign (resid 58 and name HN) (resid 56 and name HN) 3.111 1.210 2.71 weight 1.000 ! spec=HNH, no=3466, id=2713, vol=1.610000e+06
assign (resid 36 and name HN) (resid 34 and name HA) 3.592 1.613 3.113 weight 1.000 ! spec=HNH, no=3467, id=2714, vol=6.790000e+05
assign (resid 36 and name HN) (resid 35 and name HA) 3.034 1.151 2.651 weight 1.000 ! spec=HNH, no=3468, id=2715, vol=1.870000e+06
assign (resid 78 and name HN) (resid 78 and name HB1) 2.893 1.046 2.546 weight 1.000 ! spec=HNH, no=3469, id=2716, vol=2.490000e+06
assign (resid 78 and name HN) (resid 78 and name HD22) 2.861 1.023 2.523 weight 1.000 ! spec=HNH, no=3470, id=2717, vol=2.660000e+06
    or (resid   78 and name   HN) (resid   78 and name HD21)
    or (resid   78 and name   HN) (resid   78 and name HD23)
assign (resid 78 and name HN) (resid 78 and name HG) 2.911 1.059 2.559 weight 1.000 ! spec=HNH, no=3471, id=2718, vol=2.400000e+06
assign (resid 78 and name HN) (resid 78 and name HD12) 3.054 1.166 2.666 weight 1.000 ! spec=HNH, no=3472, id=2719, vol=1.800000e+06
    or (resid   78 and name   HN) (resid   78 and name HD11)
    or (resid   78 and name   HN) (resid   78 and name HD13)
assign (resid 78 and name HN) (resid 78 and name HB2) 3.114 1.212 2.712 weight 1.000 ! spec=HNH, no=3473, id=2720, vol=1.600000e+06
assign (resid 78 and name HN) (resid 77 and name HA2) 2.772 0.960 2.46 weight 1.000 ! spec=HNH, no=3474, id=2721, vol=3.220000e+06
assign (resid 78 and name HN) (resid 77 and name HA1) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=3475, id=2722, vol=3.380000e+06
assign (resid 78 and name HN) (resid 81 and name HH2) 3.173 1.259 2.759 weight 1.000 ! spec=HNH, no=3479, id=2725, vol=1.430000e+06
assign (resid 78 and name HN) (resid 81 and name HE3) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=3480, id=2726, vol=1.440000e+06
assign (resid 78 and name HN) (resid 79 and name HN) 3.526 1.554 3.054 weight 1.000 ! spec=HNH, no=3481, id=2727, vol=7.590000e+05
assign (resid 63 and name HD22) (resid 63 and name HD21) 2.283 0.652 2.152 weight 1.000 ! spec=HNH, no=3484, id=2729, vol=1.030000e+07
assign (resid 63 and name HD22) (resid 63 and name HB2) 3.357 1.409 2.909 weight 1.000 ! spec=HNH, no=3486, id=2730, vol=1.020000e+06

assign	(resid 2 and name CA )
	(resid 2 and name C )  14.393 1.512  1.000 0

!% bad data (untested):
!assign	(resid 3 and name CA )
!	(resid 3 and name C )  13.486 1.512  1.000 0

!assign	(resid 4 and name CA )
!	(resid 4 and name C )  -3.855 1.512  1.000 0

assign	(resid 5 and name CA )
	(resid 5 and name C )  3.966 1.512  1.000 0

!% bad data (untested):
!assign	(resid 6 and name CA )
!	(resid 6 and name C )  18.642 1.512  1.000 0

!% bad data (untested):
!assign	(resid 7 and name CA )
!	(resid 7 and name C )  -2.605 1.512  1.000 0

assign	(resid 8 and name CA )
	(resid 8 and name C )  -12.715 1.512  1.000 0

!assign	(resid 9 and name CA )
!	(resid 9 and name C )  16.732 1.512  1.000 0

assign	(resid 12 and name CA )
	(resid 12 and name C )  -13.325 1.512  1.000 0

!% bad data (untested):
!assign	(resid 13 and name CA )
!	(resid 13 and name C )  35.091 1.512  1.000 0

assign	(resid 14 and name CA )
	(resid 14 and name C )  -7.363 1.512  1.000 0

assign	(resid 15 and name CA )
	(resid 15 and name C )  -11.450 1.512  1.000 0

!% bad data (untested):
!assign	(resid 16 and name CA )
!	(resid 16 and name C )  32.863 1.512  1.000 0

assign	(resid 17 and name CA )
	(resid 17 and name C )  -9.112 1.512  1.000 0

!% bad data (untested):
!assign	(resid 18 and name CA )
!	(resid 18 and name C )  -18.606 1.512  1.000 0

assign	(resid 19 and name CA )
	(resid 19 and name C )  8.996 1.512  1.000 0

assign	(resid 20 and name CA )
	(resid 20 and name C )  9.737 1.512  1.000 0

!% bad data (untested):
!assign	(resid 23 and name CA )
!	(resid 23 and name C )  29.457 1.512  1.000 0

!assign	(resid 24 and name CA )
!	(resid 24 and name C )  2.096 1.512  1.000 0

assign	(resid 26 and name CA )
	(resid 26 and name C )  -6.128 1.512  1.000 0

assign	(resid 28 and name CA )
	(resid 28 and name C )  -3.639 1.512  1.000 0

!% bad data (untested):
!assign	(resid 30 and name CA )
!	(resid 30 and name C )  15.053 1.512  1.000 0

assign	(resid 32 and name CA )
	(resid 32 and name C )  6.955 1.512  1.000 0

assign	(resid 34 and name CA )
	(resid 34 and name C )  -8.663 1.512  1.000 0

!assign	(resid 35 and name CA )
!	(resid 35 and name C )  -12.871 1.512  1.000 0

assign	(resid 38 and name CA )
	(resid 38 and name C )  -10.523 1.512  1.000 0

assign	(resid 39 and name CA )
	(resid 39 and name C )  -4.984 1.512  1.000 0

!% bad data (untested):
!assign	(resid 40 and name CA )
!	(resid 40 and name C )  29.870 1.512  1.000 0

!% bad data (untested):
!assign	(resid 41 and name CA )
!	(resid 41 and name C )  6.295 1.512  1.000 0

assign	(resid 45 and name CA )
	(resid 45 and name C )  -8.517 1.512  1.000 0

!assign	(resid 46 and name CA )
!	(resid 46 and name C )  -7.071 1.512  1.000 0

!% bad data (untested):
!assign	(resid 47 and name CA )
!	(resid 47 and name C )  -48.784 1.512  1.000 0

assign	(resid 48 and name CA )
	(resid 48 and name C )  -10.009 1.512  1.000 0

!% bad data (untested):
!assign	(resid 50 and name CA )
!	(resid 50 and name C )  1.003 1.512  1.000 0

assign	(resid 51 and name CA )
	(resid 51 and name C )  -11.934 1.512  1.000 0

assign	(resid 52 and name CA )
	(resid 52 and name C )  3.830 1.512  1.000 0

assign	(resid 53 and name CA )
	(resid 53 and name C )  5.478 1.512  1.000 0

assign	(resid 55 and name CA )
	(resid 55 and name C )  9.051 1.512  1.000 0

!% bad data (untested):
!assign	(resid 56 and name CA )
!	(resid 56 and name C )  -10.351 1.512  1.000 0

!% bad data (untested):
!assign	(resid 58 and name CA )
!	(resid 58 and name C )  25.848 1.512  1.000 0

assign	(resid 59 and name CA )
	(resid 59 and name C )  -0.963 1.512  1.000 0

!% bad data (untested):
!assign	(resid 60 and name CA )
!	(resid 60 and name C )  2.086 1.512  1.000 0

!% bad data (untested):
!assign	(resid 62 and name CA )
!	(resid 62 and name C )  -50.744 1.512  1.000 0

!% bad data (untested):
!assign	(resid 63 and name CA )
!	(resid 63 and name C )  -8.658 1.512  1.000 0

!% bad data (untested):
!assign	(resid 66 and name CA )
!	(resid 66 and name C )  2.943 1.512  1.000 0

!% bad data (untested):
!assign	(resid 68 and name CA )
!	(resid 68 and name C )  14.781 1.512  1.000 0

!% bad data (untested):
!assign	(resid 69 and name CA )
!	(resid 69 and name C )  -16.339 1.512  1.000 0

!assign	(resid 70 and name CA )
!	(resid 70 and name C )  14.560 1.512  1.000 0

assign	(resid 71 and name CA )
	(resid 71 and name C )  -5.287 1.512  1.000 0

assign	(resid 72 and name CA )
	(resid 72 and name C )  1.371 1.512  1.000 0

!% bad data (untested):
!assign	(resid 73 and name CA )
!	(resid 73 and name C )  25.914 1.512  1.000 0

assign	(resid 74 and name CA )
	(resid 74 and name C )  -5.271 1.512  1.000 0

!% bad data (untested):
!assign	(resid 75 and name CA )
!	(resid 75 and name C )  -0.519 1.512  1.000 0

!% bad data (untested):
!assign	(resid 76 and name CA )
!	(resid 76 and name C )  -14.741 1.512  1.000 0

!assign	(resid 77 and name CA )
!	(resid 77 and name C )  -4.788 1.512  1.000 0

!% bad data (untested):
!assign	(resid 78 and name CA )
!	(resid 78 and name C )  28.529 1.512  1.000 0

!% bad data (untested):
!assign	(resid 81 and name CA )
!	(resid 81 and name C )  28.509 1.512  1.000 0

assign	(resid 83 and name CA )
	(resid 83 and name C )  1.169 1.512  1.000 0

!% bad data (untested):
!assign	(resid 84 and name CA )
!	(resid 84 and name C )  7.282 1.512  1.000 0

assign	(resid 85 and name CA )
	(resid 85 and name C )  -1.965 1.512  1.000 0

!% bad data (untested):
!assign	(resid 86 and name CA )
!	(resid 86 and name C )  3.618 1.512  1.000 0

!assign	(resid 87 and name CA )
!	(resid 87 and name C )  0.469 1.512  1.000 0

assign	(resid 88 and name CA )
	(resid 88 and name C )  -0.086 1.512  1.000 0

assign	(resid 89 and name CA )
	(resid 89 and name C )  2.676 1.512  1.000 0

!% bad data (untested):
!assign	(resid 90 and name CA )
!	(resid 90 and name C )  -0.126 1.512  1.000 0

!% bad data (untested):
!assign	(resid 91 and name CA )
!	(resid 91 and name C )  0.695 1.512  1.000 0

!% bad data (untested):
!assign	(resid 92 and name CA )
!	(resid 92 and name C )  2.631 1.512  1.000 0

!% bad data (untested):
!assign	(resid 93 and name CA )
!	(resid 93 and name C )  2.651 1.512  1.000 0

assign	(resid 94 and name CA )
	(resid 94 and name C )  0.338 1.512  1.000 0

!% bad data (untested):
!assign	(resid 95 and name CA )
!	(resid 95 and name C )  0.610 1.512  1.000 0

assign	(resid 3 and name CA )
	(resid 3 and name HA )  -8.967 1.245 1.000 0

!% bad data (untested):
!assign	(resid 9 and name CA )
!	(resid 9 and name HA )  -8.968 1.245 1.000 0

!% bad data (untested):
!assign	(resid 11 and name CA )
!	(resid 11 and name HA )  1.196 1.245 1.000 0

assign	(resid 15 and name CA )
	(resid 15 and name HA )  4.484 1.245 1.000 0

assign	(resid 16 and name CA )
	(resid 16 and name HA )  -5.680 1.245 1.000 0

assign	(resid 17 and name CA )
	(resid 17 and name HA )  -6.875 1.245 1.000 0

!% bad data (untested):
!assign	(resid 28 and name CA )
!	(resid 28 and name HA )  -2.989 1.245 1.000 0

assign	(resid 30 and name CA )
	(resid 30 and name HA )  -11.957 1.245 1.000 0

assign	(resid 31 and name CA )
	(resid 31 and name HA )  -11.957 1.245 1.000 0

assign	(resid 32 and name CA )
	(resid 32 and name HA )  6.577 1.245 1.000 0

assign	(resid 37 and name CA )
	(resid 37 and name HA )  -13.153 1.245 1.000 0

assign	(resid 40 and name CA )
	(resid 40 and name HA )  -8.370 1.245 1.000 0

assign	(resid 42 and name CA )
	(resid 42 and name HA )  17.337 1.245 1.000 0

assign	(resid 48 and name CA )
	(resid 48 and name HA )  -5.680 1.245 1.000 0

assign	(resid 62 and name CA )
	(resid 62 and name HA )  -10.462 1.245 1.000 0

assign	(resid 68 and name CA )
	(resid 68 and name HA )  -8.370 1.245 1.000 0

!% bad data (untested):
assign	(resid 70 and name CA )
	(resid 70 and name HA )  -2.691 1.245 1.000 0

!% bad data (untested):
assign	(resid 76 and name CA )
	(resid 76 and name HA )  3.587 1.245 1.000 0

!% bad data (untested):
assign	(resid 83 and name CA )
	(resid 83 and name HA )  -6.278 1.245 1.000 0

assign	(resid 91 and name CA )
	(resid 91 and name HA )  -2.092 1.245 1.000 0
assign  (resid 2 and name C )
        (resid 3 and name N )
        (resid 2 and name C )
        (resid 2 and name O ) 74.67000 5.000 171.712 0

assign  (resid 6 and name C )
        (resid 7 and name N )
        (resid 6 and name C )
        (resid 6 and name O ) 107.7300 5.000 176.212 0

assign  (resid 7 and name C )
        (resid 8 and name N )
        (resid 7 and name C )
        (resid 7 and name O ) -53.93000 5.000 175.159 0

assign  (resid 8 and name C )
        (resid 9 and name N )
        (resid 8 and name C )
        (resid 8 and name O ) -34.52000 5.000 178.131 0

assign  (resid 9 and name C )
        (resid 10 and name N )
        (resid 9 and name C )
        (resid 9 and name O ) 19.94000 5.000 179.160 0

assign  (resid 11 and name C )
        (resid 12 and name N )
        (resid 11 and name C )
        (resid 11 and name O ) 95.27000 5.000 178.910 0

assign  (resid 14 and name C )
        (resid 15 and name N )
        (resid 14 and name C )
        (resid 14 and name O ) 28.95000 5.000 175.452 0

assign  (resid 18 and name C )
        (resid 19 and name N )
        (resid 18 and name C )
        (resid 18 and name O ) -72.61000 5.000 179.605 0

assign  (resid 20 and name C )
        (resid 21 and name N )
        (resid 20 and name C )
        (resid 20 and name O ) -67.12000 5.000 177.865 0

assign  (resid 21 and name C )
        (resid 22 and name N )
        (resid 21 and name C )
        (resid 21 and name O ) 123.7000 5.000 176.744 0

assign  (resid 22 and name C )
        (resid 23 and name N )
        (resid 22 and name C )
        (resid 22 and name O ) -132.3100 5.000 180.191 0

assign  (resid 25 and name C )
        (resid 26 and name N )
        (resid 25 and name C )
        (resid 25 and name O ) -18.42000 5.000 178.033 0

assign  (resid 26 and name C )
        (resid 27 and name N )
        (resid 26 and name C )
        (resid 26 and name O ) -56.12000 5.000 178.052 0

assign  (resid 32 and name C )
        (resid 33 and name N )
        (resid 32 and name C )
        (resid 32 and name O ) 49.62000 5.000 177.532 0

assign  (resid 34 and name C )
        (resid 35 and name N )
        (resid 34 and name C )
        (resid 34 and name O ) 81.96000 5.000 178.231 0

assign  (resid 38 and name C )
        (resid 39 and name N )
        (resid 38 and name C )
        (resid 38 and name O ) 79.24000 5.000 178.262 0

assign  (resid 39 and name C )
        (resid 40 and name N )
        (resid 39 and name C )
        (resid 39 and name O ) -38.49000 5.000 179.326 0

assign  (resid 42 and name C )
        (resid 43 and name N )
        (resid 42 and name C )
        (resid 42 and name O ) 23.12000 5.000 177.952 0

assign  (resid 43 and name C )
        (resid 44 and name N )
        (resid 43 and name C )
        (resid 43 and name O ) 42.60000 5.000 178.770 0

assign  (resid 44 and name C )
        (resid 45 and name N )
        (resid 44 and name C )
        (resid 44 and name O ) 13.65000 5.000 176.997 0

assign  (resid 49 and name C )
        (resid 50 and name N )
        (resid 49 and name C )
        (resid 49 and name O ) -3.780000 5.000 179.164 0

assign  (resid 50 and name C )
        (resid 51 and name N )
        (resid 50 and name C )
        (resid 50 and name O ) 68.64000 5.000 177.949 0

assign  (resid 53 and name C )
        (resid 54 and name N )
        (resid 53 and name C )
        (resid 53 and name O ) -3.250000 5.000 177.164 0

assign  (resid 62 and name C )
        (resid 63 and name N )
        (resid 62 and name C )
        (resid 62 and name O ) 102.9600 5.000 177.564 0

assign  (resid 63 and name C )
        (resid 64 and name N )
        (resid 63 and name C )
        (resid 63 and name O ) 32.66000 5.000 176.780 0

assign  (resid 67 and name C )
        (resid 68 and name N )
        (resid 67 and name C )
        (resid 67 and name O ) -146.9500 5.000 177.786 0

assign  (resid 68 and name C )
        (resid 69 and name N )
        (resid 68 and name C )
        (resid 68 and name O ) 33.33000 5.000 174.092 0

assign  (resid 69 and name C )
        (resid 70 and name N )
        (resid 69 and name C )
        (resid 69 and name O ) -123.5600 5.000 172.966 0

assign  (resid 74 and name C )
        (resid 75 and name N )
        (resid 74 and name C )
        (resid 74 and name O ) 62.01000 5.000 175.511 0

assign  (resid 76 and name C )
        (resid 77 and name N )
        (resid 76 and name C )
        (resid 76 and name O ) -107.6600 5.000 174.707 0

assign  (resid 84 and name C )
        (resid 85 and name N )
        (resid 84 and name C )
        (resid 84 and name O ) 57.04000 5.000 175.667 0

assign  (resid 87 and name C )
        (resid 88 and name N )
        (resid 87 and name C )
        (resid 87 and name O ) 11.00000 5.000 177.149 0

assign  (resid 92 and name C )
        (resid 93 and name N )
        (resid 92 and name C )
        (resid 92 and name O ) -15.44000 5.000 176.259 0
! SCULPTOR (CNS) format
! created by dconv 0.85b, FreeBSD/i386 port
!
! duplicit data were not removed
! data were normalized to N ILE3  HN ILE3 (C1=21593.5, r1=1.041)
! data errors were normalized too
! data were not weighted by their respective errors
! reference structure: pdb/N_delta_RDC4_good_CACO.pdb,1
! alignment tensor was calculated from active data and structure
!  by LLS SVD fit, optimized parameters: 5 out of 6
! int. const. were multiplied and alignment tensor divided by 1 
!
! alignment tensor: alpha=287.7, beta=96.4, gamma=234.3, Da=20.36, R=0.266
{ alignment tensor axes, to be put into atensor PDB:
ATOM      1 X    ORI     1      -0.754  -0.584   0.301  1.00  0.00      TEN1
ATOM      2 Y    ORI     1      -0.308  -0.091  -0.947  1.00  0.00      TEN1
ATOM      3 Z    ORI     1       0.580  -0.807  -0.112  1.00  0.00      TEN1
ATOM      4 OO   ORI     1       0.000   0.000   0.000  1.00  0.00      TEN1
ATOM      5 OE   EVS     2       0.000   2.000   0.000  1.00  0.00      TEN1
ATOM      6 X1   EVS     2      18.861   2.000   0.000  1.00  0.00      TEN1
ATOM      7 Z1   EVS     2       0.000   2.000   5.012  1.00  0.00      TEN1
}
! 268 RDCs (including 77 passive data)

!% bad data (untested):
!assign	(resid 3 and name N )
!	(resid 3 and name HN )  15.813 0.600  1.000 0

assign	(resid 7 and name N )
	(resid 7 and name HN )  -21.105 1.200  1.000 0

assign	(resid 8 and name N )
	(resid 8 and name HN )  -4.379 0.600  1.000 0

assign	(resid 9 and name N )
	(resid 9 and name HN )  -5.474 0.600  1.000 0

assign	(resid 10 and name N )
	(resid 10 and name HN )  -21.410 1.200  1.000 0

assign	(resid 12 and name N )
	(resid 12 and name HN )  7.541 0.600  1.000 0

assign	(resid 13 and name N )
	(resid 13 and name HN )  -8.697 1.200  1.000 0

assign	(resid 15 and name N )
	(resid 15 and name HN )  -12.955 0.600  1.000 0

assign	(resid 16 and name N )
	(resid 16 and name HN )  -6.751 0.600  1.000 0

assign	(resid 17 and name N )
	(resid 17 and name HN )  -15.570 1.200  1.000 0

assign	(resid 18 and name N )
	(resid 18 and name HN )  21.469 0.600  1.000 0

assign	(resid 19 and name N )
	(resid 19 and name HN )  -4.866 1.200  1.000 0

assign	(resid 20 and name N )
	(resid 20 and name HN )  -12.407 2.000  1.000 0

assign	(resid 21 and name N )
	(resid 21 and name HN )  -0.304 1.200  1.000 0

assign	(resid 22 and name N )
	(resid 22 and name HN )  9.306 2.000  1.000 0

assign	(resid 24 and name N )
	(resid 24 and name HN )  -15.691 2.000  1.000 0

assign	(resid 25 and name N )
	(resid 25 and name HN )  5.580 1.200  1.000 0

!% bad data (untested):
!assign	(resid 26 and name N )
!	(resid 26 and name HN )  0.426 1.200  1.000 0

assign	(resid 27 and name N )
	(resid 27 and name HN )  -17.577 1.200  1.000 0

assign	(resid 29 and name N )
	(resid 29 and name HN )  30.106 1.200  1.000 0

assign	(resid 31 and name N )
	(resid 31 and name HN )  -28.950 1.200  1.000 0

assign	(resid 33 and name N )
	(resid 33 and name HN )  23.720 1.200  1.000 0

assign	(resid 34 and name N )
	(resid 34 and name HN )  22.442 0.600  1.000 0

assign	(resid 35 and name N )
	(resid 35 and name HN )  32.357 1.200  1.000 0

!% bad data (untested):
!assign	(resid 36 and name N )
!	(resid 36 and name HN )  19.888 2.000  1.000 0

assign	(resid 37 and name N )
	(resid 37 and name HN )  20.679 2.000  1.000 0

assign	(resid 39 and name N )
	(resid 39 and name HN )  31.383 1.200  1.000 0

assign	(resid 42 and name N )
	(resid 42 and name HN )  34.971 1.200  1.000 0

assign	(resid 43 and name N )
	(resid 43 and name HN )  25.605 1.200  1.000 0

!% bad data (untested):
!assign	(resid 45 and name N )
!	(resid 45 and name HN )  25.970 1.200  1.000 0

assign	(resid 46 and name N )
	(resid 46 and name HN )  30.593 2.000  1.000 0

assign	(resid 48 and name N )
	(resid 48 and name HN )  -19.584 1.200  1.000 0

assign	(resid 49 and name N )
	(resid 49 and name HN )  -22.868 1.200  1.000 0

assign	(resid 50 and name N )
	(resid 50 and name HN )  -17.881 1.200  1.000 0

!assign	(resid 51 and name N )
!	(resid 51 and name HN )  -11.374 1.200  1.000 0

assign	(resid 52 and name N )
	(resid 52 and name HN )  -13.623 1.200  1.000 0

assign	(resid 53 and name N )
	(resid 53 and name HN )  23.416 1.200  1.000 0

assign	(resid 54 and name N )
	(resid 54 and name HN )  1.885 1.200  1.000 0

assign	(resid 59 and name N )
	(resid 59 and name HN )  13.989 2.000  1.000 0

assign	(resid 61 and name N )
	(resid 61 and name HN )  19.037 1.200  1.000 0

!% bad data (untested):
!assign	(resid 65 and name N )
!	(resid 65 and name HN )  -10.948 1.200  1.000 0

!% bad data (untested):
!assign	(resid 67 and name N )
!	(resid 67 and name HN )  26.944 0.600  1.000 0

assign	(resid 70 and name N )
	(resid 70 and name HN )  -19.280 1.200  1.000 0

assign	(resid 71 and name N )
	(resid 71 and name HN )  24.632 1.200  1.000 0

!assign	(resid 72 and name N )
!	(resid 72 and name HN )  9.609 0.600  1.000 0

assign	(resid 74 and name N )
	(resid 74 and name HN )  0.430 1.200  1.000 0

assign	(resid 75 and name N )
	(resid 75 and name HN )  32.782 1.200  1.000 0

assign	(resid 77 and name N )
	(resid 77 and name HN )  -14.961 1.200  1.000 0

assign	(resid 78 and name N )
	(resid 78 and name HN )  -21.774 1.200  1.000 0

!% bad data (untested):
!assign	(resid 80 and name N )
!	(resid 80 and name HN )  35.032 1.200  1.000 0

!% bad data (untested):
!assign	(resid 81 and name N )
!	(resid 81 and name HN )  11.799 1.200  1.000 0

!% bad data (untested):
!assign	(resid 85 and name N )
!	(resid 85 and name HN )  1.763 2.000  1.000 0

!% bad data (untested):
!assign	(resid 87 and name N )
!	(resid 87 and name HN )  -1.460 0.600  1.000 0

!% bad data (untested):
!assign	(resid 88 and name N )
!	(resid 88 and name HN )  -1.338 1.200  1.000 0

!assign	(resid 89 and name N )
!	(resid 89 and name HN )  0.122 0.600  1.000 0

!% bad data (untested):
!assign	(resid 91 and name N )
!	(resid 91 and name HN )  -0.973 1.200  1.000 0

!% bad data (untested):
!assign	(resid 92 and name N )
!	(resid 92 and name HN )  0.609 0.600  1.000 0

!assign	(resid 93 and name N )
!	(resid 93 and name HN )  0.364 0.600  1.000 0
!% bad data (untested):
!assign	(resid 3 and name N )
!	(resid 2 and name C )  -8.977 1.655  1.000 0

assign	(resid 6 and name N )
	(resid 5 and name C )  -11.459 1.655  1.000 0

!% bad data (untested):
!assign	(resid 7 and name N )
!	(resid 6 and name C )  18.855 1.655  1.000 0

assign	(resid 8 and name N )
	(resid 7 and name C )  0.132 1.655  1.000 0

assign	(resid 9 and name N )
	(resid 8 and name C )  10.606 1.655  1.000 0

assign	(resid 10 and name N )
	(resid 9 and name C )  7.909 1.655  1.000 0

assign	(resid 12 and name N )
	(resid 11 and name C )  28.766 1.655  1.000 0

assign	(resid 13 and name N )
	(resid 12 and name C )  -11.119 1.655  1.000 0

!% bad data (untested):
!assign	(resid 15 and name N )
!	(resid 14 and name C )  8.339 1.655  1.000 0

assign	(resid 16 and name N )
	(resid 15 and name C )  -12.915 1.655  1.000 0

assign	(resid 17 and name N )
	(resid 16 and name C )  -9.547 1.655  1.000 0

assign	(resid 18 and name N )
	(resid 17 and name C )  16.828 1.655  1.000 0

assign	(resid 20 and name N )
	(resid 19 and name C )  2.424 1.655  1.000 0

assign	(resid 21 and name N )
	(resid 20 and name C )  -21.759 1.655  1.000 0

assign	(resid 24 and name N )
	(resid 23 and name C )  1.688 1.655  1.000 0

assign	(resid 25 and name N )
	(resid 24 and name C )  -1.026 1.655  1.000 0

assign	(resid 26 and name N )
	(resid 25 and name C )  14.379 1.655  1.000 0

assign	(resid 28 and name N )
	(resid 27 and name C )  -12.162 1.655  1.000 0

assign	(resid 29 and name N )
	(resid 28 and name C )  -6.279 1.655  1.000 0

assign	(resid 31 and name N )
	(resid 30 and name C )  2.714 1.655  1.000 0

assign	(resid 33 and name N )
	(resid 32 and name C )  -17.225 1.655  1.000 0

assign	(resid 34 and name N )
	(resid 33 and name C )  -19.500 1.655  1.000 0

assign	(resid 35 and name N )
	(resid 34 and name C )  6.412 1.655  1.000 0

assign	(resid 36 and name N )
	(resid 35 and name C )  -6.329 1.655  1.000 0

assign	(resid 39 and name N )
	(resid 38 and name C )  7.694 1.655  1.000 0

assign	(resid 42 and name N )
	(resid 41 and name C )  -6.453 1.655  1.000 0

assign	(resid 43 and name N )
	(resid 42 and name C )  -3.822 1.655  1.000 0

assign	(resid 45 and name N )
	(resid 44 and name C )  -23.902 1.655  1.000 0

!% bad data (untested):
!assign	(resid 48 and name N )
!	(resid 47 and name C )  21.006 1.655  1.000 0

assign	(resid 49 and name N )
	(resid 48 and name C )  -2.275 1.655  1.000 0

assign	(resid 50 and name N )
	(resid 49 and name C )  3.301 1.655  1.000 0

assign	(resid 52 and name N )
	(resid 51 and name C )  -10.979 1.655  1.000 0

!% bad data (untested):
!assign	(resid 53 and name N )
!	(resid 52 and name C )  -6.660 1.655  1.000 0

assign	(resid 54 and name N )
	(resid 53 and name C )  -6.337 1.655  1.000 0

assign	(resid 55 and name N )
	(resid 54 and name C )  -12.278 1.655  1.000 0

assign	(resid 58 and name N )
	(resid 57 and name C )  -21.089 1.655  1.000 0

assign	(resid 59 and name N )
	(resid 58 and name C )  -6.834 1.655  1.000 0

!% bad data (untested):
!assign	(resid 64 and name N )
!	(resid 63 and name C )  10.209 1.655  1.000 0

!% bad data (untested):
!assign	(resid 65 and name N )
!	(resid 64 and name C )  -10.424 1.655  1.000 0

!assign	(resid 67 and name N )
!	(resid 66 and name C )  15.694 1.655  1.000 0

assign	(resid 70 and name N )
	(resid 69 and name C )  -8.836 1.655  1.000 0

assign	(resid 71 and name N )
	(resid 70 and name C )  -28.857 1.655  1.000 0

!% bad data (untested):
!assign	(resid 72 and name N )
!	(resid 71 and name C )  20.195 1.655  1.000 0

assign	(resid 74 and name N )
	(resid 73 and name C )  -18.052 1.655  1.000 0

assign	(resid 75 and name N )
	(resid 74 and name C )  -1.456 1.655  1.000 0

assign	(resid 76 and name N )
	(resid 75 and name C )  7.661 1.655  1.000 0

assign	(resid 77 and name N )
	(resid 76 and name C )  -10.193 1.655  1.000 0

assign	(resid 78 and name N )
	(resid 77 and name C )  -2.548 1.655  1.000 0

!assign	(resid 80 and name N )
!	(resid 79 and name C )  8.778 1.655  1.000 0

!% bad data (untested):
!assign	(resid 81 and name N )
!	(resid 80 and name C )  -22.321 1.655  1.000 0

!% bad data (untested):
!assign	(resid 87 and name N )
!	(resid 86 and name C )  -2.507 1.655  1.000 0

!% bad data (untested):
!assign	(resid 88 and name N )
!	(resid 87 and name C )  1.828 1.655  1.000 0

!% bad data (untested):
!assign	(resid 89 and name N )
!	(resid 88 and name C )  -0.273 1.655  1.000 0

!% bad data (untested):
!assign	(resid 91 and name N )
!	(resid 90 and name C )  -0.116 1.655  1.000 0

!% bad data (untested):
!assign	(resid 92 and name N )
!	(resid 91 and name C )  -1.167 1.655  1.000 0

!% bad data (untested):
!assign	(resid 93 and name N )
!	(resid 92 and name C )  2.035 1.655  1.000 0
!% bad data (untested):
!assign	(resid 3 and name HN )
!	(resid 2 and name C )  2.925 0.930  1.000 0

!% bad data (untested):
!assign	(resid 6 and name HN )
!	(resid 5 and name C )  0.512 0.930  1.000 0

!% bad data (untested):
!assign	(resid 7 and name HN )
!	(resid 6 and name C )  -8.238 0.930  1.000 0

assign	(resid 8 and name HN )
	(resid 7 and name C )  -0.716 0.930  1.000 0

assign	(resid 9 and name HN )
	(resid 8 and name C )  10.250 0.930  1.000 0

assign	(resid 10 and name HN )
	(resid 9 and name C )  -7.102 0.930  1.000 0

assign	(resid 12 and name HN )
	(resid 11 and name C )  30.103 0.930  1.000 0

assign	(resid 13 and name HN )
	(resid 12 and name C )  -6.935 0.930  1.000 0

!% bad data (untested):
!assign	(resid 15 and name HN )
!	(resid 14 and name C )  -4.035 0.930  1.000 0

assign	(resid 16 and name HN )
	(resid 15 and name C )  -10.548 0.930  1.000 0

assign	(resid 17 and name HN )
	(resid 16 and name C )  -23.785 0.930  1.000 0

assign	(resid 18 and name HN )
	(resid 17 and name C )  26.285 0.930  1.000 0

!% bad data (untested):
!assign	(resid 20 and name HN )
!	(resid 19 and name C )  -4.764 0.930  1.000 0

assign	(resid 21 and name HN )
	(resid 20 and name C )  -20.864 0.930  1.000 0

assign	(resid 24 and name HN )
	(resid 23 and name C )  -25.491 0.930  1.000 0

assign	(resid 25 and name HN )
	(resid 24 and name C )  4.572 0.930  1.000 0

assign	(resid 26 and name HN )
	(resid 25 and name C )  14.664 0.930  1.000 0

!assign	(resid 28 and name HN )
!	(resid 27 and name C )  -21.692 0.930  1.000 0

!% bad data (untested):
!assign	(resid 29 and name HN )
!	(resid 28 and name C )  14.779 0.930  1.000 0

assign	(resid 31 and name HN )
	(resid 30 and name C )  -12.887 0.930  1.000 0

assign	(resid 33 and name HN )
	(resid 32 and name C )  -8.176 0.930  1.000 0

assign	(resid 34 and name HN )
	(resid 33 and name C )  -5.077 0.930  1.000 0

!% bad data (untested):
!assign	(resid 35 and name HN )
!	(resid 34 and name C )  24.055 0.930  1.000 0

assign	(resid 36 and name HN )
	(resid 35 and name C )  8.780 0.930  1.000 0

assign	(resid 39 and name HN )
	(resid 38 and name C )  27.392 0.930  1.000 0

assign	(resid 42 and name HN )
	(resid 41 and name C )  20.225 0.930  1.000 0

assign	(resid 43 and name HN )
	(resid 42 and name C )  13.733 0.930  1.000 0

assign	(resid 45 and name HN )
	(resid 44 and name C )  -4.683 0.930  1.000 0

assign	(resid 48 and name HN )
	(resid 47 and name C )  13.029 0.930  1.000 0

assign	(resid 49 and name HN )
	(resid 48 and name C )  -11.423 0.930  1.000 0

assign	(resid 50 and name HN )
	(resid 49 and name C )  -8.191 0.930  1.000 0

assign	(resid 52 and name HN )
	(resid 51 and name C )  -12.412 0.930  1.000 0

!% bad data (untested):
!assign	(resid 53 and name HN )
!	(resid 52 and name C )  10.809 0.930  1.000 0

assign	(resid 54 and name HN )
	(resid 53 and name C )  -2.751 0.930  1.000 0

assign	(resid 55 and name HN )
	(resid 54 and name C )  -11.956 0.930  1.000 0

assign	(resid 58 and name HN )
	(resid 57 and name C )  -8.659 0.930  1.000 0

assign	(resid 59 and name HN )
	(resid 58 and name C )  -10.303 0.930  1.000 0

assign	(resid 64 and name HN )
	(resid 63 and name C )  28.484 0.930  1.000 0

!% bad data (untested):
!assign	(resid 65 and name HN )
!	(resid 64 and name C )  -9.757 0.930  1.000 0

!% bad data (untested):
!assign	(resid 67 and name HN )
!	(resid 66 and name C )  33.471 0.930  1.000 0

assign	(resid 70 and name HN )
	(resid 69 and name C )  -9.763 0.930  1.000 0

assign	(resid 71 and name HN )
	(resid 70 and name C )  -13.895 0.930  1.000 0

!% bad data (untested):
!assign	(resid 72 and name HN )
!	(resid 71 and name C )  26.353 0.930  1.000 0

!% bad data (untested):
!assign	(resid 74 and name HN )
!	(resid 73 and name C )  -17.300 0.930  1.000 0

assign	(resid 75 and name HN )
	(resid 74 and name C )  17.157 0.930  1.000 0

assign	(resid 76 and name HN )
	(resid 75 and name C )  22.070 0.930  1.000 0

assign	(resid 77 and name HN )
	(resid 76 and name C )  -14.642 0.930  1.000 0

assign	(resid 78 and name HN )
	(resid 77 and name C )  -8.253 0.930  1.000 0

!% bad data (untested):
!assign	(resid 80 and name HN )
!	(resid 79 and name C )  26.933 0.930  1.000 0

!% bad data (untested):
!assign	(resid 81 and name HN )
!	(resid 80 and name C )  -4.299 0.930  1.000 0

assign	(resid 87 and name HN )
	(resid 86 and name C )  -3.933 0.930  1.000 0

assign	(resid 88 and name HN )
	(resid 87 and name C )  -0.809 0.930  1.000 0

!% bad data (untested):
!assign	(resid 89 and name HN )
!	(resid 88 and name C )  0.177 0.930  1.000 0

!% bad data (untested):
!assign	(resid 91 and name HN )
!	(resid 90 and name C )  0.769 0.930  1.000 0

!% bad data (untested):
!assign	(resid 92 and name HN )
!	(resid 91 and name C )  1.973 0.930  1.000 0

!% bad data (untested):
!assign	(resid 93 and name HN )
!	(resid 92 and name C )  2.522 0.930  1.000 0
!% bad data (untested):
!assign	(resid 2 and name CA )
!	(resid 2 and name C )  18.385 1.512  1.000 0

!% bad data (untested):
!assign	(resid 3 and name CA )
!	(resid 3 and name C )  18.178 1.512  1.000 0

!% bad data (untested):
!assign	(resid 4 and name CA )
!	(resid 4 and name C )  9.349 1.512  1.000 0

!assign	(resid 5 and name CA )
!	(resid 5 and name C )  6.431 1.512  1.000 0

!% bad data (untested):
!assign	(resid 6 and name CA )
!	(resid 6 and name C )  14.887 1.512  1.000 0

assign	(resid 7 and name CA )
	(resid 7 and name C )  -14.474 1.512  1.000 0

!% bad data (untested):
!assign	(resid 8 and name CA )
!	(resid 8 and name C )  -26.650 1.512  1.000 0

assign	(resid 9 and name CA )
	(resid 9 and name C )  8.532 1.512  1.000 0

!assign	(resid 12 and name CA )
!	(resid 12 and name C )  -30.732 1.512  1.000 0

!% bad data (untested):
!assign	(resid 13 and name CA )
!	(resid 13 and name C )  40.519 1.512  1.000 0

assign	(resid 14 and name CA )
	(resid 14 and name C )  1.336 1.512  1.000 0

assign	(resid 15 and name CA )
	(resid 15 and name C )  -14.776 1.512  1.000 0

!% bad data (untested):
!assign	(resid 16 and name CA )
!	(resid 16 and name C )  43.069 1.512  1.000 0

!assign	(resid 17 and name CA )
!	(resid 17 and name C )  -15.446 1.512  1.000 0

!% bad data (untested):
!assign	(resid 18 and name CA )
!	(resid 18 and name C )  -31.573 1.512  1.000 0

assign	(resid 19 and name CA )
	(resid 19 and name C )  27.532 1.512  1.000 0

assign	(resid 20 and name CA )
	(resid 20 and name C )  9.202 1.512  1.000 0

!% bad data (untested):
!assign	(resid 23 and name CA )
!	(resid 23 and name C )  48.552 1.512  1.000 0

assign	(resid 24 and name CA )
	(resid 24 and name C )  -8.678 1.512  1.000 0

!assign	(resid 26 and name CA )
!	(resid 26 and name C )  0.035 1.512  1.000 0

!assign	(resid 28 and name CA )
!	(resid 28 and name C )  4.334 1.512  1.000 0

!assign	(resid 30 and name CA )
!	(resid 30 and name C )  3.855 1.512  1.000 0

!% bad data (untested):
!assign	(resid 32 and name CA )
!	(resid 32 and name C )  27.345 1.512  1.000 0

assign	(resid 33 and name CA )
	(resid 33 and name C )  23.742 1.512  1.000 0

!assign	(resid 34 and name CA )
!	(resid 34 and name C )  -12.473 1.512  1.000 0

!% bad data (untested):
!assign	(resid 35 and name CA )
!	(resid 35 and name C )  -12.493 1.512  1.000 0

!assign	(resid 38 and name CA )
!	(resid 38 and name C )  -7.484 1.512  1.000 0

!% bad data (untested):
!assign	(resid 40 and name CA )
!	(resid 40 and name C )  41.900 1.512  1.000 0

assign	(resid 41 and name CA )
	(resid 41 and name C )  7.675 1.512  1.000 0

!assign	(resid 45 and name CA )
!	(resid 45 and name C )  -12.251 1.512  1.000 0

assign	(resid 46 and name CA )
	(resid 46 and name C )  8.799 1.512  1.000 0

!assign	(resid 48 and name CA )
!	(resid 48 and name C )  -17.916 1.512  1.000 0

!assign	(resid 50 and name CA )
!	(resid 50 and name C )  -15.280 1.512  1.000 0

assign	(resid 51 and name CA )
	(resid 51 and name C )  -15.124 1.512  1.000 0

assign	(resid 52 and name CA )
	(resid 52 and name C )  -2.585 1.512  1.000 0

assign	(resid 53 and name CA )
	(resid 53 and name C )  0.766 1.512  1.000 0

!assign	(resid 55 and name CA )
!	(resid 55 and name C )  8.920 1.512  1.000 0

assign	(resid 56 and name CA )
	(resid 56 and name C )  -19.710 1.512  1.000 0

!% bad data (untested):
!assign	(resid 58 and name CA )
!	(resid 58 and name C )  49.696 1.512  1.000 0

assign	(resid 59 and name CA )
	(resid 59 and name C )  -15.507 1.512  1.000 0

assign	(resid 60 and name CA )
	(resid 60 and name C )  -11.541 1.512  1.000 0

!% bad data (untested):
!assign	(resid 63 and name CA )
!	(resid 63 and name C )  -29.366 1.512  1.000 0

!% bad data (untested):
!assign	(resid 66 and name CA )
!	(resid 66 and name C )  -53.838 1.512  1.000 0

!% bad data (untested):
!assign	(resid 68 and name CA )
!	(resid 68 and name C )  37.409 1.512  1.000 0

!assign	(resid 69 and name CA )
!	(resid 69 and name C )  -25.002 1.512  1.000 0

!% bad data (untested):
!assign	(resid 70 and name CA )
!	(resid 70 and name C )  30.938 1.512  1.000 0

!% bad data (untested):
!assign	(resid 71 and name CA )
!	(resid 71 and name C )  -33.957 1.512  1.000 0

!assign	(resid 72 and name CA )
!	(resid 72 and name C )  -6.395 1.512  1.000 0

assign	(resid 73 and name CA )
	(resid 73 and name C )  39.763 1.512  1.000 0

assign	(resid 74 and name CA )
	(resid 74 and name C )  3.185 1.512  1.000 0

assign	(resid 75 and name CA )
	(resid 75 and name C )  -29.180 1.512  1.000 0

assign	(resid 76 and name CA )
	(resid 76 and name C )  -14.801 1.512  1.000 0

!% bad data (untested):
!assign	(resid 77 and name CA )
!	(resid 77 and name C )  -39.516 1.512  1.000 0

!% bad data (untested):
!assign	(resid 78 and name CA )
!	(resid 78 and name C )  42.696 1.512  1.000 0

!assign	(resid 80 and name CA )
!	(resid 80 and name C )  -13.572 1.512  1.000 0

!% bad data (untested):
!assign	(resid 81 and name CA )
!	(resid 81 and name C )  51.802 1.512  1.000 0

!% bad data (untested):
!assign	(resid 83 and name CA )
!	(resid 83 and name C )  3.835 1.512  1.000 0

assign	(resid 84 and name CA )
	(resid 84 and name C )  11.228 1.512  1.000 0

assign	(resid 85 and name CA )
	(resid 85 and name C )  -6.360 1.512  1.000 0

!% bad data (untested):
!assign	(resid 86 and name CA )
!	(resid 86 and name C )  4.284 1.512  1.000 0

!assign	(resid 87 and name CA )
!	(resid 87 and name C )  1.703 1.512  1.000 0

!% bad data (untested):
!assign	(resid 88 and name CA )
!	(resid 88 and name C )  -2.359 1.512  1.000 0

!% bad data (untested):
!assign	(resid 89 and name CA )
!	(resid 89 and name C )  -2.989 1.512  1.000 0

!% bad data (untested):
!assign	(resid 90 and name CA )
!	(resid 90 and name C )  -1.084 1.512  1.000 0

!% bad data (untested):
!assign	(resid 91 and name CA )
!	(resid 91 and name C )  -4.495 1.512  1.000 0

!% bad data (untested):
!assign	(resid 92 and name CA )
!	(resid 92 and name C )  -2.852 1.512  1.000 0

!% bad data (untested):
!assign	(resid 93 and name CA )
!	(resid 93 and name C )  -5.095 1.512  1.000 0

!% bad data (untested):
!assign	(resid 94 and name CA )
!	(resid 94 and name C )  -0.963 1.512  1.000 0

!% bad data (untested):
!assign	(resid 95 and name CA )
!	(resid 95 and name C )  1.814 1.512  1.000 0
assign	(resid 3 and name CA )
	(resid 3 and name HA )  -20.924 1.245  1.000 0

assign	(resid 9 and name CA )
	(resid 9 and name HA )  -5.978 1.245  1.000 0

assign	(resid 11 and name CA )
	(resid 11 and name HA )  9.266 1.245  1.000 0

assign	(resid 15 and name CA )
	(resid 15 and name HA )  4.783 1.245  1.000 0

assign	(resid 16 and name CA )
	(resid 16 and name HA )  2.092 1.245  1.000 0

assign	(resid 17 and name CA )
	(resid 17 and name HA )  -10.163 1.245  1.000 0

assign	(resid 19 and name CA )
	(resid 19 and name HA )  -4.484 1.245  1.000 0

assign	(resid 28 and name CA )
	(resid 28 and name HA )  -0.897 1.245  1.000 0

assign	(resid 30 and name CA )
	(resid 30 and name HA )  -23.615 1.245  1.000 0

assign	(resid 31 and name CA )
	(resid 31 and name HA )  -21.223 1.245  1.000 0

assign	(resid 32 and name CA )
	(resid 32 and name HA )  17.936 1.245  1.000 0

assign	(resid 37 and name CA )
	(resid 37 and name HA )  -17.337 1.245  1.000 0

assign	(resid 40 and name CA )
	(resid 40 and name HA )  -14.946 1.245  1.000 0

assign	(resid 41 and name CA )
	(resid 41 and name HA )  -8.968 1.245  1.000 0

assign	(resid 42 and name CA )
	(resid 42 and name HA )  25.707 1.245  1.000 0

assign	(resid 48 and name CA )
	(resid 48 and name HA )  -15.544 1.245  1.000 0

assign	(resid 55 and name CA )
	(resid 55 and name HA )  -12.853 1.245  1.000 0

assign	(resid 60 and name CA )
	(resid 60 and name HA )  33.479 1.245  1.000 0

assign	(resid 62 and name CA )
	(resid 62 and name HA )  -12.555 1.245  1.000 0

assign	(resid 64 and name CA )
	(resid 64 and name HA )  40.055 1.245  1.000 0

assign	(resid 68 and name CA )
	(resid 68 and name HA )  -23.615 1.245  1.000 0

assign	(resid 76 and name CA )
	(resid 76 and name HA )  4.484 1.245  1.000 0

assign	(resid 83 and name CA )
	(resid 83 and name HA )  -2.092 1.245  1.000 0

assign	(resid 84 and name CA )
	(resid 84 and name HA )  1.196 1.245  1.000 0

assign	(resid 85 and name CA )
	(resid 85 and name HA )  -1.196 1.245  1.000 0

assign	(resid 88 and name CA )
	(resid 88 and name HA )  5.680 1.245  1.000 0

assign	(resid 91 and name CA )
	(resid 91 and name HA )  3.288 1.245  1.000 0

assign	(resid 94 and name CA )
	(resid 94 and name HA )  2.989 1.245  1.000 0

assign	(resid 96 and name CA )
	(resid 96 and name HA )  -1.794 1.245  1.000 0

! SCULPTOR (CNS) format
! created by dconv 0.85b, FreeBSD/i386 port
!
! duplicit data were not removed
! data were normalized to N ILE3  HN ILE3 (C1=21593.5, r1=1.041)
! data errors were normalized too
! data were not weighted by their respective errors
! reference structure: pdb/N_delta_gel2_14.pdb,1
! alignment tensor was calculated from active data and structure
!  by LLS SVD fit, optimized parameters: 5 out of 6
! int. const. were multiplied and alignment tensor divided by 1 
!
! alignment tensor: alpha=104.5, beta=105.2, gamma=321.9, Da=10.02, R=0.061
{ alignment tensor axes, to be put into atensor PDB:
ATOM      1 X    ORI     1       0.649  -0.722  -0.242  1.00  0.00      TEN1
ATOM      2 Y    ORI     1      -0.045  -0.353   0.934  1.00  0.00      TEN1
ATOM      3 Z    ORI     1      -0.760  -0.595  -0.262  1.00  0.00      TEN1
ATOM      4 OO   ORI     1       0.000   0.000   0.000  1.00  0.00      TEN1
ATOM      5 OE   EVS     2       0.000   2.000   0.000  1.00  0.00      TEN1
ATOM      6 X1   EVS     2       9.278   2.000   0.000  1.00  0.00      TEN1
ATOM      7 Z1   EVS     2       0.000   2.000   0.568  1.00  0.00      TEN1
}
! 244 RDCs (including 61 passive data)

!% bad data (untested):
!assign	(resid 3 and name N )
!	(resid 3 and name HN )  5.540 1.200  1.000 0

assign	(resid 7 and name N )
	(resid 7 and name HN )  -8.560 1.200  1.000 0

assign	(resid 8 and name N )
	(resid 8 and name HN )  -0.056 1.200  1.000 0

assign	(resid 9 and name N )
	(resid 9 and name HN )  -6.249 1.200  1.000 0

assign	(resid 13 and name N )
	(resid 13 and name HN )  -7.306 1.200  1.000 0

assign	(resid 15 and name N )
	(resid 15 and name HN )  -4.237 1.200  1.000 0

assign	(resid 16 and name N )
	(resid 16 and name HN )  -2.538 1.200  1.000 0

assign	(resid 17 and name N )
	(resid 17 and name HN )  -7.731 1.200  1.000 0

assign	(resid 18 and name N )
	(resid 18 and name HN )  12.601 1.200  1.000 0

assign	(resid 19 and name N )
	(resid 19 and name HN )  -3.966 1.200  1.000 0

assign	(resid 20 and name N )
	(resid 20 and name HN )  -6.662 1.200  1.000 0

assign	(resid 21 and name N )
	(resid 21 and name HN )  -2.841 1.200  1.000 0

assign	(resid 22 and name N )
	(resid 22 and name HN )  5.066 1.200  1.000 0

assign	(resid 24 and name N )
	(resid 24 and name HN )  -8.460 1.200  1.000 0

assign	(resid 27 and name N )
	(resid 27 and name HN )  -8.799 1.200  1.000 0

assign	(resid 28 and name N )
	(resid 28 and name HN )  -5.949 1.200  1.000 0

assign	(resid 29 and name N )
	(resid 29 and name HN )  14.021 1.200  1.000 0

assign	(resid 31 and name N )
	(resid 31 and name HN )  -11.101 1.200  1.000 0

assign	(resid 33 and name N )
	(resid 33 and name HN )  8.063 1.200  1.000 0

assign	(resid 34 and name N )
	(resid 34 and name HN )  5.916 1.200  1.000 0

assign	(resid 36 and name N )
	(resid 36 and name HN )  7.417 1.200  1.000 0

assign	(resid 37 and name N )
	(resid 37 and name HN )  3.931 1.200  1.000 0

assign	(resid 39 and name N )
	(resid 39 and name HN )  15.464 1.200  1.000 0

assign	(resid 42 and name N )
	(resid 42 and name HN )  15.111 1.200  1.000 0

assign	(resid 43 and name N )
	(resid 43 and name HN )  11.133 1.200  1.000 0

!% bad data (untested):
!assign	(resid 45 and name N )
!	(resid 45 and name HN )  6.479 1.200  1.000 0

assign	(resid 48 and name N )
	(resid 48 and name HN )  -10.184 1.200  1.000 0

assign	(resid 49 and name N )
	(resid 49 and name HN )  -8.210 1.200  1.000 0

assign	(resid 50 and name N )
	(resid 50 and name HN )  -9.016 1.200  1.000 0

assign	(resid 51 and name N )
	(resid 51 and name HN )  -7.402 1.200  1.000 0

!assign	(resid 52 and name N )
!	(resid 52 and name HN )  -0.578 1.200  1.000 0

assign	(resid 53 and name N )
	(resid 53 and name HN )  15.063 1.200  1.000 0

assign	(resid 54 and name N )
	(resid 54 and name HN )  8.051 1.200  1.000 0

assign	(resid 58 and name N )
	(resid 58 and name HN )  13.580 1.200  1.000 0

assign	(resid 59 and name N )
	(resid 59 and name HN )  13.363 1.200  1.000 0

assign	(resid 65 and name N )
	(resid 65 and name HN )  -2.120 1.200  1.000 0

!assign	(resid 67 and name N )
!	(resid 67 and name HN )  13.017 1.200  1.000 0

assign	(resid 70 and name N )
	(resid 70 and name HN )  -6.554 1.200  1.000 0

assign	(resid 71 and name N )
	(resid 71 and name HN )  17.412 1.200  1.000 0

assign	(resid 72 and name N )
	(resid 72 and name HN )  9.101 1.200  1.000 0

!% bad data (untested):
!assign	(resid 74 and name N )
!	(resid 74 and name HN )  5.939 1.200  1.000 0

!% bad data (untested):
!assign	(resid 75 and name N )
!	(resid 75 and name HN )  19.170 1.200  1.000 0

assign	(resid 76 and name N )
	(resid 76 and name HN )  7.584 1.200  1.000 0

assign	(resid 77 and name N )
	(resid 77 and name HN )  -6.841 1.200  1.000 0

!assign	(resid 80 and name N )
!	(resid 80 and name HN )  18.440 1.200  1.000 0

!% bad data (untested):
!assign	(resid 81 and name N )
!	(resid 81 and name HN )  7.501 1.200  1.000 0

!assign	(resid 85 and name N )
!	(resid 85 and name HN )  -0.180 1.200  1.000 0

assign	(resid 87 and name N )
	(resid 87 and name HN )  -1.176 1.200  1.000 0

!% bad data (untested):
!assign	(resid 88 and name N )
!	(resid 88 and name HN )  -0.815 1.200  1.000 0

assign	(resid 89 and name N )
	(resid 89 and name HN )  -0.170 1.200  1.000 0

assign	(resid 91 and name N )
	(resid 91 and name HN )  -0.700 1.200  1.000 0

!assign	(resid 92 and name N )
!	(resid 92 and name HN )  0.305 1.200  1.000 0

assign	(resid 93 and name N )
	(resid 93 and name HN )  -1.225 1.200  1.000 0
!% bad data (untested):
!assign	(resid 3 and name N )
!	(resid 2 and name C )  -4.890 1.655  1.000 0

assign	(resid 6 and name N )
	(resid 5 and name C )  -7.562 1.655  1.000 0

!% bad data (untested):
!assign	(resid 7 and name N )
!	(resid 6 and name C )  5.609 1.655  1.000 0

assign	(resid 8 and name N )
	(resid 7 and name C )  6.610 1.655  1.000 0

assign	(resid 9 and name N )
	(resid 8 and name C )  -2.019 1.655  1.000 0

assign	(resid 10 and name N )
	(resid 9 and name C )  6.172 1.655  1.000 0

assign	(resid 13 and name N )
	(resid 12 and name C )  -4.013 1.655  1.000 0

!% bad data (untested):
!assign	(resid 14 and name N )
!	(resid 13 and name C )  -3.988 1.655  1.000 0

assign	(resid 15 and name N )
	(resid 14 and name C )  8.894 1.655  1.000 0

assign	(resid 16 and name N )
	(resid 15 and name C )  -8.381 1.655  1.000 0

assign	(resid 17 and name N )
	(resid 16 and name C )  0.174 1.655  1.000 0

assign	(resid 18 and name N )
	(resid 17 and name C )  1.406 1.655  1.000 0

assign	(resid 19 and name N )
	(resid 18 and name C )  7.669 1.655  1.000 0

assign	(resid 20 and name N )
	(resid 19 and name C )  -3.293 1.655  1.000 0

assign	(resid 21 and name N )
	(resid 20 and name C )  -8.282 1.655  1.000 0

assign	(resid 24 and name N )
	(resid 23 and name C )  2.283 1.655  1.000 0

assign	(resid 25 and name N )
	(resid 24 and name C )  -8.406 1.655  1.000 0

assign	(resid 26 and name N )
	(resid 25 and name C )  11.748 1.655  1.000 0

!% bad data (untested):
!assign	(resid 27 and name N )
!	(resid 26 and name C )  -1.315 1.655  1.000 0

assign	(resid 28 and name N )
	(resid 27 and name C )  -0.405 1.655  1.000 0

assign	(resid 29 and name N )
	(resid 28 and name C )  -1.779 1.655  1.000 0

assign	(resid 31 and name N )
	(resid 30 and name C )  0.786 1.655  1.000 0

assign	(resid 33 and name N )
	(resid 32 and name C )  -11.847 1.655  1.000 0

assign	(resid 34 and name N )
	(resid 33 and name C )  -10.615 1.655  1.000 0

assign	(resid 35 and name N )
	(resid 34 and name C )  4.319 1.655  1.000 0

!% bad data (untested):
!assign	(resid 36 and name N )
!	(resid 35 and name C )  13.394 1.655  1.000 0

!assign	(resid 37 and name N )
!	(resid 36 and name C )  -11.947 1.655  1.000 0

assign	(resid 39 and name N )
	(resid 38 and name C )  10.036 1.655  1.000 0

assign	(resid 42 and name N )
	(resid 41 and name C )  -3.516 1.655  1.000 0

assign	(resid 43 and name N )
	(resid 42 and name C )  4.674 1.655  1.000 0

assign	(resid 45 and name N )
	(resid 44 and name C )  -12.567 1.655  1.000 0

!% bad data (untested):
!assign	(resid 48 and name N )
!	(resid 47 and name C )  8.083 1.655  1.000 0

assign	(resid 49 and name N )
	(resid 48 and name C )  4.104 1.655  1.000 0

assign	(resid 50 and name N )
	(resid 49 and name C )  -4.021 1.655  1.000 0

assign	(resid 51 and name N )
	(resid 50 and name C )  16.530 1.655  1.000 0

assign	(resid 52 and name N )
	(resid 51 and name C )  -6.329 1.655  1.000 0

assign	(resid 53 and name N )
	(resid 52 and name C )  -6.048 1.655  1.000 0

assign	(resid 54 and name N )
	(resid 53 and name C )  -5.775 1.655  1.000 0

!% bad data (untested):
!assign	(resid 55 and name N )
!	(resid 54 and name C )  -14.495 1.655  1.000 0

assign	(resid 58 and name N )
	(resid 57 and name C )  -8.207 1.655  1.000 0

assign	(resid 59 and name N )
	(resid 58 and name C )  -10.433 1.655  1.000 0

assign	(resid 65 and name N )
	(resid 64 and name C )  -4.401 1.655  1.000 0

assign	(resid 67 and name N )
	(resid 66 and name C )  9.804 1.655  1.000 0

assign	(resid 70 and name N )
	(resid 69 and name C )  -7.901 1.655  1.000 0

assign	(resid 71 and name N )
	(resid 70 and name C )  -12.178 1.655  1.000 0

!% bad data (untested):
!assign	(resid 72 and name N )
!	(resid 71 and name C )  11.690 1.655  1.000 0

!% bad data (untested):
!assign	(resid 74 and name N )
!	(resid 73 and name C )  -12.195 1.655  1.000 0

assign	(resid 75 and name N )
	(resid 74 and name C )  2.019 1.655  1.000 0

assign	(resid 76 and name N )
	(resid 75 and name C )  -0.993 1.655  1.000 0

assign	(resid 77 and name N )
	(resid 76 and name C )  2.523 1.655  1.000 0

assign	(resid 78 and name N )
	(resid 77 and name C )  -6.346 1.655  1.000 0

assign	(resid 80 and name N )
	(resid 79 and name C )  -0.753 1.655  1.000 0

assign	(resid 81 and name N )
	(resid 80 and name C )  -7.322 1.655  1.000 0

!% bad data (untested):
!assign	(resid 85 and name N )
!	(resid 84 and name C )  -9.241 1.655  1.000 0

!% bad data (untested):
!assign	(resid 87 and name N )
!	(resid 86 and name C )  -2.077 1.655  1.000 0

!% bad data (untested):
!assign	(resid 88 and name N )
!	(resid 87 and name C )  0.422 1.655  1.000 0

!% bad data (untested):
!assign	(resid 89 and name N )
!	(resid 88 and name C )  -1.373 1.655  1.000 0

!% bad data (untested):
!assign	(resid 91 and name N )
!	(resid 90 and name C )  -0.720 1.655  1.000 0

!assign	(resid 92 and name N )
!	(resid 91 and name C )  -1.688 1.655  1.000 0

assign	(resid 93 and name N )
	(resid 92 and name C )  -1.051 1.655  1.000 0
assign	(resid 3 and name HN )
	(resid 2 and name C )  -5.034 0.930  1.000 0

assign	(resid 6 and name HN )
	(resid 5 and name C )  -5.421 0.930  1.000 0

assign	(resid 7 and name HN )
	(resid 6 and name C )  -1.613 0.930  1.000 0

assign	(resid 8 and name HN )
	(resid 7 and name C )  7.437 0.930  1.000 0

assign	(resid 9 and name HN )
	(resid 8 and name C )  -0.226 0.930  1.000 0

assign	(resid 10 and name HN )
	(resid 9 and name C )  -4.702 0.930  1.000 0

assign	(resid 13 and name HN )
	(resid 12 and name C )  -5.338 0.930  1.000 0

assign	(resid 14 and name HN )
	(resid 13 and name C )  -7.245 0.930  1.000 0

assign	(resid 15 and name HN )
	(resid 14 and name C )  8.945 0.930  1.000 0

assign	(resid 16 and name HN )
	(resid 15 and name C )  -6.622 0.930  1.000 0

assign	(resid 17 and name HN )
	(resid 16 and name C )  -8.824 0.930  1.000 0

assign	(resid 18 and name HN )
	(resid 17 and name C )  9.534 0.930  1.000 0

assign	(resid 19 and name HN )
	(resid 18 and name C )  4.398 0.930  1.000 0

!assign	(resid 20 and name HN )
!	(resid 19 and name C )  -5.273 0.930  1.000 0

assign	(resid 21 and name HN )
	(resid 20 and name C )  -9.233 0.930  1.000 0

!assign	(resid 24 and name HN )
!	(resid 23 and name C )  -3.387 0.930  1.000 0

assign	(resid 25 and name HN )
	(resid 24 and name C )  -4.302 0.930  1.000 0

assign	(resid 26 and name HN )
	(resid 25 and name C )  12.117 0.930  1.000 0

assign	(resid 27 and name HN )
	(resid 26 and name C )  -9.621 0.930  1.000 0

!assign	(resid 28 and name HN )
!	(resid 27 and name C )  -9.385 0.930  1.000 0

assign	(resid 29 and name HN )
	(resid 28 and name C )  8.954 0.930  1.000 0

assign	(resid 31 and name HN )
	(resid 30 and name C )  -7.422 0.930  1.000 0

assign	(resid 33 and name HN )
	(resid 32 and name C )  -6.014 0.930  1.000 0

assign	(resid 34 and name HN )
	(resid 33 and name C )  -7.515 0.930  1.000 0

assign	(resid 35 and name HN )
	(resid 34 and name C )  16.162 0.930  1.000 0

assign	(resid 36 and name HN )
	(resid 35 and name C )  8.830 0.930  1.000 0

assign	(resid 37 and name HN )
	(resid 36 and name C )  -5.269 0.930  1.000 0

assign	(resid 39 and name HN )
	(resid 38 and name C )  18.938 0.930  1.000 0

assign	(resid 42 and name HN )
	(resid 41 and name C )  5.601 0.930  1.000 0

assign	(resid 43 and name HN )
	(resid 42 and name C )  13.479 0.930  1.000 0

assign	(resid 45 and name HN )
	(resid 44 and name C )  -4.144 0.930  1.000 0

assign	(resid 48 and name HN )
	(resid 47 and name C )  3.393 0.930  1.000 0

assign	(resid 49 and name HN )
	(resid 48 and name C )  1.706 0.930  1.000 0

assign	(resid 50 and name HN )
	(resid 49 and name C )  -7.338 0.930  1.000 0

!% bad data (untested):
!assign	(resid 51 and name HN )
!	(resid 50 and name C )  1.712 0.930  1.000 0

!assign	(resid 52 and name HN )
!	(resid 51 and name C )  -4.078 0.930  1.000 0

assign	(resid 53 and name HN )
	(resid 52 and name C )  0.651 0.930  1.000 0

assign	(resid 54 and name HN )
	(resid 53 and name C )  -1.830 0.930  1.000 0

assign	(resid 55 and name HN )
	(resid 54 and name C )  -2.013 0.930  1.000 0

assign	(resid 58 and name HN )
	(resid 57 and name C )  3.309 0.930  1.000 0

assign	(resid 59 and name HN )
	(resid 58 and name C )  -3.232 0.930  1.000 0

!% bad data (untested):
!assign	(resid 63 and name HN )
!	(resid 62 and name C )  25.711 0.930  1.000 0

!assign	(resid 65 and name HN )
!	(resid 64 and name C )  -3.043 0.930  1.000 0

assign	(resid 67 and name HN )
	(resid 66 and name C )  17.058 0.930  1.000 0

assign	(resid 70 and name HN )
	(resid 69 and name C )  -7.316 0.930  1.000 0

assign	(resid 71 and name HN )
	(resid 70 and name C )  -1.895 0.930  1.000 0

!% bad data (untested):
!assign	(resid 72 and name HN )
!	(resid 71 and name C )  15.756 0.930  1.000 0

!assign	(resid 74 and name HN )
!	(resid 73 and name C )  -6.603 0.930  1.000 0

!% bad data (untested):
!assign	(resid 75 and name HN )
!	(resid 74 and name C )  12.350 0.930  1.000 0

!assign	(resid 76 and name HN )
!	(resid 75 and name C )  11.600 0.930  1.000 0

assign	(resid 77 and name HN )
	(resid 76 and name C )  0.813 0.930  1.000 0

assign	(resid 78 and name HN )
	(resid 77 and name C )  -7.093 0.930  1.000 0

assign	(resid 80 and name HN )
	(resid 79 and name C )  9.736 0.930  1.000 0

!% bad data (untested):
!assign	(resid 81 and name HN )
!	(resid 80 and name C )  1.141 0.930  1.000 0

!% bad data (untested):
!assign	(resid 85 and name HN )
!	(resid 84 and name C )  -6.510 0.930  1.000 0

assign	(resid 87 and name HN )
	(resid 86 and name C )  -4.457 0.930  1.000 0

assign	(resid 88 and name HN )
	(resid 87 and name C )  -1.027 0.930  1.000 0

!% bad data (untested):
!assign	(resid 89 and name HN )
!	(resid 88 and name C )  -1.616 0.930  1.000 0

!% bad data (untested):
!assign	(resid 91 and name HN )
!	(resid 90 and name C )  -0.487 0.930  1.000 0

!assign	(resid 92 and name HN )
!	(resid 91 and name C )  -0.782 0.930  1.000 0

!% bad data (untested):
!assign	(resid 93 and name HN )
!	(resid 92 and name C )  -1.042 0.930  1.000 0



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   2           HT1      GLY   2  -2.224  12.190   8.984
    2    H2   GLY   2           HT2      GLY   2  -0.890  12.127   7.931
    3    H3   GLY   2           HT3      GLY   2  -0.766  11.452   9.484
    4    HA2  GLY   2           HA1      GLY   2  -2.397   9.812   8.884
    5    HA3  GLY   2           HA2      GLY   2  -2.452  10.520   7.271
    6    H    ILE   3           HN       ILE   3  -1.317   8.087   8.927
    7    HA   ILE   3           HA       ILE   3  -0.061   6.655   8.814
    8    HB   ILE   3           HB       ILE   3   0.663   7.488   5.975
    9   HG12  ILE   3          HG12      ILE   3  -0.998   5.170   6.949
   10   HG13  ILE   3          HG11      ILE   3  -1.687   6.727   6.554
   11   HG21  ILE   3          HG21      ILE   3   2.516   6.123   6.816
   12   HG22  ILE   3          HG22      ILE   3   1.582   5.244   5.601
   13   HG23  ILE   3          HG23      ILE   3   1.364   4.882   7.311
   14   HD11  ILE   3          HD11      ILE   3  -0.225   4.885   4.672
   15   HD12  ILE   3          HD12      ILE   3  -0.891   6.461   4.240
   16   HD13  ILE   3          HD13      ILE   3  -1.967   5.152   4.731
   17    H    LYS   4           HN       LYS   4   2.388   8.383   6.818
   18    HA   LYS   4           HA       LYS   4   4.120   8.384   9.177
   19    HB2  LYS   4           HB2      LYS   4   5.022   7.323   7.155
   20    HB3  LYS   4           HB1      LYS   4   4.810   8.828   6.273
   21    HG2  LYS   4           HG2      LYS   4   7.093   8.608   6.881
   22    HG3  LYS   4           HG1      LYS   4   6.396   9.922   7.833
   23    HD2  LYS   4           HD2      LYS   4   6.062   8.240   9.695
   24    HD3  LYS   4           HD1      LYS   4   7.029   7.115   8.743
   25    HE2  LYS   4           HE2      LYS   4   8.872   8.787   8.764
   26    HE3  LYS   4           HE1      LYS   4   7.900   9.783   9.843
   27    HZ1  LYS   4           HZ1      LYS   4   8.950   7.068  10.366
   28    HZ2  LYS   4           HZ2      LYS   4   7.905   7.890  11.434
   29    HZ3  LYS   4           HZ3      LYS   4   9.441   8.490  11.118
   30    H    GLN   5           HN       GLN   5   3.167  10.536   6.531
   31    HA   GLN   5           HA       GLN   5   3.281  12.850   8.245
   32    HB2  GLN   5           HB2      GLN   5   5.046  13.944   6.843
   33    HB3  GLN   5           HB1      GLN   5   5.623  12.636   7.868
   34    HG2  GLN   5           HG2      GLN   5   5.669  11.131   5.973
   35    HG3  GLN   5           HG1      GLN   5   4.990  12.386   4.938
   36   HE21  GLN   5          HE21      GLN   5   6.249  14.011   4.258
   37   HE22  GLN   5          HE22      GLN   5   7.967  14.018   4.444
   38    H    TYR   6           HN       TYR   6   1.498  11.408   6.301
   39    HA   TYR   6           HA       TYR   6   1.338  13.427   4.188
   40    HB2  TYR   6           HB2      TYR   6   0.176  10.634   4.256
   41    HB3  TYR   6           HB1      TYR   6   0.099  11.755   2.905
   42    HD1  TYR   6           HD2      TYR   6   2.239   9.459   4.804
   43    HD2  TYR   6           HD1      TYR   6   2.055  12.116   1.481
   44    HE1  TYR   6           HE2      TYR   6   4.337   8.520   3.947
   45    HE2  TYR   6           HE1      TYR   6   4.162  11.175   0.610
   46    HH   TYR   6           HH       TYR   6   5.538   8.300   1.955
   47    H    SER   7           HN       SER   7  -0.344  14.762   4.299
   48    HA   SER   7           HA       SER   7  -2.395  14.102   6.230
   49    HB2  SER   7           HB2      SER   7  -1.391  16.434   6.178
   50    HB3  SER   7           HB1      SER   7  -2.131  16.653   4.592
   51    HG   SER   7           HG       SER   7  -3.914  17.075   5.523
   52    H    GLN   8           HN       GLN   8  -4.699  14.799   5.319
   53    HA   GLN   8           HA       GLN   8  -5.333  12.654   3.719
   54    HB2  GLN   8           HB2      GLN   8  -6.931  15.073   4.438
   55    HB3  GLN   8           HB1      GLN   8  -7.616  13.660   3.654
   56    HG2  GLN   8           HG2      GLN   8  -6.247  13.733   6.342
   57    HG3  GLN   8           HG1      GLN   8  -7.979  13.579   6.058
   58   HE21  GLN   8          HE21      GLN   8  -7.726  11.727   3.847
   59   HE22  GLN   8          HE22      GLN   8  -7.242  10.224   4.528
   60    H    GLU   9           HN       GLU   9  -4.876  16.041   2.697
   61    HA   GLU   9           HA       GLU   9  -5.967  15.599   0.165
   62    HB2  GLU   9           HB2      GLU   9  -4.043  17.713   1.089
   63    HB3  GLU   9           HB1      GLU   9  -4.749  17.673  -0.522
   64    HG2  GLU   9           HG2      GLU   9  -6.267  17.893   2.077
   65    HG3  GLU   9           HG1      GLU   9  -6.011  19.180   0.899
   66    H    GLU  10           HN       GLU  10  -2.680  15.116   1.422
   67    HA   GLU  10           HA       GLU  10  -1.547  14.708  -1.157
   68    HB2  GLU  10           HB2      GLU  10  -0.516  13.877   1.567
   69    HB3  GLU  10           HB1      GLU  10   0.375  13.686   0.073
   70    HG2  GLU  10           HG2      GLU  10   1.268  15.580   1.129
   71    HG3  GLU  10           HG1      GLU  10   0.252  16.199  -0.166
   72    H    LEU  11           HN       LEU  11  -3.106  12.745   1.225
   73    HA   LEU  11           HA       LEU  11  -2.221  10.432   0.040
   74    HB2  LEU  11           HB2      LEU  11  -4.467  10.861   1.982
   75    HB3  LEU  11           HB1      LEU  11  -4.196   9.251   1.384
   76    HG   LEU  11           HG       LEU  11  -2.224  10.919   2.988
   77   HD11  LEU  11          HD11      LEU  11  -4.154  10.229   4.314
   78   HD12  LEU  11          HD12      LEU  11  -2.702   9.358   4.806
   79   HD13  LEU  11          HD13      LEU  11  -3.914   8.557   3.807
   80   HD21  LEU  11          HD21      LEU  11  -1.075   9.356   1.516
   81   HD22  LEU  11          HD22      LEU  11  -2.099   8.040   2.087
   82   HD23  LEU  11          HD23      LEU  11  -0.960   8.814   3.189
   83    H    LYS  12           HN       LYS  12  -5.286  12.207  -0.198
   84    HA   LYS  12           HA       LYS  12  -6.813  10.479  -1.748
   85    HB2  LYS  12           HB2      LYS  12  -6.777  13.467  -1.471
   86    HB3  LYS  12           HB1      LYS  12  -8.038  12.545  -2.271
   87    HG2  LYS  12           HG2      LYS  12  -8.690  11.516  -0.211
   88    HG3  LYS  12           HG1      LYS  12  -7.260  12.122   0.585
   89    HD2  LYS  12           HD2      LYS  12  -9.327  13.444   1.125
   90    HD3  LYS  12           HD1      LYS  12  -7.978  14.380   0.500
   91    HE2  LYS  12           HE2      LYS  12  -9.052  14.274  -1.757
   92    HE3  LYS  12           HE1      LYS  12 -10.450  13.515  -0.995
   93    HZ1  LYS  12           HZ1      LYS  12 -10.616  15.940  -1.327
   94    HZ2  LYS  12           HZ2      LYS  12  -9.357  16.144  -0.185
   95    HZ3  LYS  12           HZ3      LYS  12 -10.826  15.461   0.279
   96    H    GLU  13           HN       GLU  13  -3.989  12.251  -2.665
   97    HA   GLU  13           HA       GLU  13  -4.995  12.508  -5.393
   98    HB2  GLU  13           HB2      GLU  13  -3.052  13.923  -5.861
   99    HB3  GLU  13           HB1      GLU  13  -4.001  14.551  -4.525
  100    HG2  GLU  13           HG2      GLU  13  -2.389  13.780  -2.938
  101    HG3  GLU  13           HG1      GLU  13  -1.492  12.936  -4.195
  102    H    MET  14           HN       MET  14  -3.303  10.389  -3.490
  103    HA   MET  14           HA       MET  14  -1.519   9.631  -5.646
  104    HB2  MET  14           HB2      MET  14  -1.611   8.646  -2.803
  105    HB3  MET  14           HB1      MET  14  -0.478   8.112  -4.031
  106    HG2  MET  14           HG2      MET  14   0.281  10.528  -4.171
  107    HG3  MET  14           HG1      MET  14  -0.666  10.794  -2.718
  108    HE1  MET  14           HE1      MET  14  -0.252   7.943  -1.242
  109    HE2  MET  14           HE2      MET  14  -0.237   9.504  -0.421
  110    HE3  MET  14           HE3      MET  14   1.081   8.358  -0.160
  111    H    ALA  15           HN       ALA  15  -1.273   7.427  -6.110
  112    HA   ALA  15           HA       ALA  15  -3.770   6.105  -6.722
  113    HB1  ALA  15           HB1      ALA  15  -1.756   5.817  -8.106
  114    HB2  ALA  15           HB2      ALA  15  -2.347   4.280  -7.480
  115    HB3  ALA  15           HB3      ALA  15  -0.939   5.048  -6.746
  116    H    LEU  16           HN       LEU  16  -4.719   4.423  -5.671
  117    HA   LEU  16           HA       LEU  16  -4.476   4.336  -2.948
  118    HB2  LEU  16           HB2      LEU  16  -5.623   2.220  -4.761
  119    HB3  LEU  16           HB1      LEU  16  -5.901   2.271  -3.027
  120    HG   LEU  16           HG       LEU  16  -6.839   4.285  -5.078
  121   HD11  LEU  16          HD11      LEU  16  -8.348   2.261  -3.441
  122   HD12  LEU  16          HD12      LEU  16  -8.065   2.204  -5.181
  123   HD13  LEU  16          HD13      LEU  16  -9.071   3.477  -4.492
  124   HD21  LEU  16          HD21      LEU  16  -8.100   5.292  -3.212
  125   HD22  LEU  16          HD22      LEU  16  -6.360   5.413  -2.983
  126   HD23  LEU  16          HD23      LEU  16  -7.285   4.203  -2.087
  127    H    VAL  17           HN       VAL  17  -2.747   2.450  -5.288
  128    HA   VAL  17           HA       VAL  17  -1.676   0.623  -3.449
  129    HB   VAL  17           HB       VAL  17  -1.637   0.207  -5.866
  130   HG11  VAL  17          HG11      VAL  17  -0.043   1.292  -7.338
  131   HG12  VAL  17          HG12      VAL  17   0.496   2.329  -6.020
  132   HG13  VAL  17          HG13      VAL  17  -1.147   2.479  -6.641
  133   HG21  VAL  17          HG21      VAL  17  -0.077  -1.021  -4.473
  134   HG22  VAL  17          HG22      VAL  17   1.120   0.259  -4.655
  135   HG23  VAL  17          HG23      VAL  17   0.636  -0.701  -6.053
  136    H    GLU  18           HN       GLU  18  -0.716   4.021  -4.180
  137    HA   GLU  18           HA       GLU  18   1.919   3.753  -3.128
  138    HB2  GLU  18           HB2      GLU  18   0.175   6.162  -3.710
  139    HB3  GLU  18           HB1      GLU  18   1.883   6.236  -3.297
  140    HG2  GLU  18           HG2      GLU  18   2.447   5.051  -5.333
  141    HG3  GLU  18           HG1      GLU  18   0.744   4.889  -5.740
  142    H    ILE  19           HN       ILE  19  -1.314   4.720  -2.079
  143    HA   ILE  19           HA       ILE  19  -0.656   5.554   0.551
  144    HB   ILE  19           HB       ILE  19  -3.201   4.174  -0.422
  145   HG12  ILE  19          HG12      ILE  19  -2.550   7.141  -0.318
  146   HG13  ILE  19          HG11      ILE  19  -2.681   6.167  -1.772
  147   HG21  ILE  19          HG21      ILE  19  -3.021   4.220   2.004
  148   HG22  ILE  19          HG22      ILE  19  -4.288   5.323   1.465
  149   HG23  ILE  19          HG23      ILE  19  -2.722   5.957   1.970
  150   HD11  ILE  19          HD11      ILE  19  -5.048   5.777  -1.296
  151   HD12  ILE  19          HD12      ILE  19  -4.674   7.496  -1.437
  152   HD13  ILE  19          HD13      ILE  19  -4.913   6.770   0.154
  153    H    ALA  20           HN       ALA  20  -1.637   2.455  -0.875
  154    HA   ALA  20           HA       ALA  20  -1.630   0.938   1.425
  155    HB1  ALA  20           HB1      ALA  20  -0.976  -0.033  -1.351
  156    HB2  ALA  20           HB2      ALA  20  -2.600   0.225  -0.715
  157    HB3  ALA  20           HB3      ALA  20  -1.563  -1.012  -0.004
  158    H    HIS  21           HN       HIS  21   1.129   1.770  -0.635
  159    HA   HIS  21           HA       HIS  21   2.923  -0.001   0.641
  160    HB2  HIS  21           HB2      HIS  21   3.658   0.996  -1.464
  161    HB3  HIS  21           HB1      HIS  21   3.569   2.615  -0.769
  162    HD1  HIS  21           HD1      HIS  21   5.566   3.385   0.760
  163    HD2  HIS  21           HD2      HIS  21   5.934  -0.537  -0.568
  164    HE1  HIS  21           HE1      HIS  21   7.856   2.709   1.338
  165    HE2  HIS  21           HE2      HIS  21   7.691   0.320   1.212
  166    H    GLU  22           HN       GLU  22   2.085   3.381   1.315
  167    HA   GLU  22           HA       GLU  22   4.009   3.612   3.370
  168    HB2  GLU  22           HB2      GLU  22   1.538   5.279   2.840
  169    HB3  GLU  22           HB1      GLU  22   2.860   5.720   3.910
  170    HG2  GLU  22           HG2      GLU  22   3.041   5.354   0.924
  171    HG3  GLU  22           HG1      GLU  22   3.035   6.887   1.790
  172    H    LEU  23           HN       LEU  23   0.593   2.827   3.276
  173    HA   LEU  23           HA       LEU  23   0.069   2.747   6.036
  174    HB2  LEU  23           HB2      LEU  23  -1.657   2.637   4.270
  175    HB3  LEU  23           HB1      LEU  23  -1.100   1.038   3.832
  176    HG   LEU  23           HG       LEU  23  -1.803   0.214   6.058
  177   HD11  LEU  23          HD11      LEU  23  -2.878   3.009   6.403
  178   HD12  LEU  23          HD12      LEU  23  -1.650   2.201   7.380
  179   HD13  LEU  23          HD13      LEU  23  -3.312   1.619   7.392
  180   HD21  LEU  23          HD21      LEU  23  -3.282  -0.010   4.147
  181   HD22  LEU  23          HD22      LEU  23  -3.950   1.592   4.448
  182   HD23  LEU  23          HD23      LEU  23  -4.211   0.292   5.614
  183    H    PHE  24           HN       PHE  24   1.327   0.426   3.862
  184    HA   PHE  24           HA       PHE  24   1.575  -1.644   5.866
  185    HB2  PHE  24           HB2      PHE  24   2.150  -1.410   3.061
  186    HB3  PHE  24           HB1      PHE  24   3.273  -2.446   3.946
  187    HD1  PHE  24           HD1      PHE  24   2.351  -4.428   5.095
  188    HD2  PHE  24           HD2      PHE  24  -0.007  -2.006   2.552
  189    HE1  PHE  24           HE1      PHE  24   0.713  -6.242   4.896
  190    HE2  PHE  24           HE2      PHE  24  -1.643  -3.803   2.346
  191    HZ   PHE  24           HZ       PHE  24  -1.292  -5.932   3.517
  192    H    GLU  25           HN       GLU  25   3.731   0.815   4.557
  193    HA   GLU  25           HA       GLU  25   6.003  -0.241   5.868
  194    HB2  GLU  25           HB2      GLU  25   5.653   1.635   3.933
  195    HB3  GLU  25           HB1      GLU  25   5.958   2.676   5.317
  196    HG2  GLU  25           HG2      GLU  25   8.023   2.221   4.124
  197    HG3  GLU  25           HG1      GLU  25   8.074   1.501   5.733
  198    H    GLU  26           HN       GLU  26   3.418   1.729   6.823
  199    HA   GLU  26           HA       GLU  26   4.544   2.540   9.328
  200    HB2  GLU  26           HB2      GLU  26   2.898   3.949   8.297
  201    HB3  GLU  26           HB1      GLU  26   1.744   2.635   8.190
  202    HG2  GLU  26           HG2      GLU  26   2.639   3.422  10.905
  203    HG3  GLU  26           HG1      GLU  26   1.637   4.575  10.032
  204    H    HIS  27           HN       HIS  27   2.387   0.112   8.162
  205    HA   HIS  27           HA       HIS  27   1.751  -0.970  10.709
  206    HB2  HIS  27           HB2      HIS  27   1.341  -1.996   7.928
  207    HB3  HIS  27           HB1      HIS  27   0.922  -2.972   9.313
  208    HD1  HIS  27           HD1      HIS  27  -0.020   0.240  10.493
  209    HD2  HIS  27           HD2      HIS  27  -1.503  -2.251   7.501
  210    HE1  HIS  27           HE1      HIS  27  -2.389   0.846  10.249
  211    HE2  HIS  27           HE2      HIS  27  -3.357  -0.852   8.733
  212    H    LYS  28           HN       LYS  28   3.895  -2.231   8.091
  213    HA   LYS  28           HA       LYS  28   5.585  -4.145   8.280
  214    HB2  LYS  28           HB2      LYS  28   5.826  -2.790  10.970
  215    HB3  LYS  28           HB1      LYS  28   6.992  -3.857  10.187
  216    HG2  LYS  28           HG2      LYS  28   7.334  -2.161   8.436
  217    HG3  LYS  28           HG1      LYS  28   6.230  -1.084   9.287
  218    HD2  LYS  28           HD2      LYS  28   7.712  -1.021  11.191
  219    HD3  LYS  28           HD1      LYS  28   8.778  -2.206  10.426
  220    HE2  LYS  28           HE2      LYS  28   9.157  -0.628   8.582
  221    HE3  LYS  28           HE1      LYS  28   8.187   0.577   9.416
  222    HZ1  LYS  28           HZ1      LYS  28   9.810   0.446  11.274
  223    HZ2  LYS  28           HZ2      LYS  28  10.528   0.906   9.803
  224    HZ3  LYS  28           HZ3      LYS  28  10.693  -0.668  10.341
  225    H    LYS  29           HN       LYS  29   2.889  -4.522   8.740
  226    HA   LYS  29           HA       LYS  29   3.480  -7.266   9.478
  227    HB2  LYS  29           HB2      LYS  29   1.224  -7.342  10.664
  228    HB3  LYS  29           HB1      LYS  29   2.472  -6.414  11.473
  229    HG2  LYS  29           HG2      LYS  29   0.457  -5.161  11.662
  230    HG3  LYS  29           HG1      LYS  29   1.477  -4.351  10.487
  231    HD2  LYS  29           HD2      LYS  29  -0.705  -4.330   9.522
  232    HD3  LYS  29           HD1      LYS  29   0.169  -5.616   8.706
  233    HE2  LYS  29           HE2      LYS  29  -2.028  -6.491   9.287
  234    HE3  LYS  29           HE1      LYS  29  -0.830  -7.253  10.314
  235    HZ1  LYS  29           HZ1      LYS  29  -2.750  -6.609  11.578
  236    HZ2  LYS  29           HZ2      LYS  29  -2.608  -5.015  11.070
  237    HZ3  LYS  29           HZ3      LYS  29  -1.438  -5.674  12.088
  238    HA   PRO  30           HA       PRO  30   1.038  -8.070   5.744
  239    HB2  PRO  30           HB2      PRO  30   0.212 -10.697   6.662
  240    HB3  PRO  30           HB1      PRO  30   1.499 -10.248   5.567
  241    HG2  PRO  30           HG2      PRO  30   1.950 -11.324   8.029
  242    HG3  PRO  30           HG1      PRO  30   3.099 -10.281   7.179
  243    HD2  PRO  30           HD2      PRO  30   1.137  -9.570   9.322
  244    HD3  PRO  30           HD1      PRO  30   2.849  -9.118   9.163
  245    H    VAL  31           HN       VAL  31  -1.144  -7.733   5.016
  246    HA   VAL  31           HA       VAL  31  -3.209  -8.154   7.040
  247    HB   VAL  31           HB       VAL  31  -3.458  -5.993   4.964
  248   HG11  VAL  31          HG11      VAL  31  -5.001  -4.956   6.546
  249   HG12  VAL  31          HG12      VAL  31  -4.750  -6.342   7.618
  250   HG13  VAL  31          HG13      VAL  31  -5.472  -6.579   6.022
  251   HG21  VAL  31          HG21      VAL  31  -1.418  -5.428   6.179
  252   HG22  VAL  31          HG22      VAL  31  -2.328  -5.434   7.706
  253   HG23  VAL  31          HG23      VAL  31  -2.720  -4.278   6.431
  254    HA   PRO  32           HA       PRO  32  -5.425 -10.491   3.675
  255    HB2  PRO  32           HB2      PRO  32  -7.666  -9.394   5.295
  256    HB3  PRO  32           HB1      PRO  32  -7.434 -11.032   4.680
  257    HG2  PRO  32           HG2      PRO  32  -7.014 -10.588   7.218
  258    HG3  PRO  32           HG1      PRO  32  -5.807 -11.524   6.315
  259    HD2  PRO  32           HD2      PRO  32  -5.723  -8.652   7.155
  260    HD3  PRO  32           HD1      PRO  32  -4.442  -9.883   7.215
  261    H    PHE  33           HN       PHE  33  -6.619  -9.841   1.829
  262    HA   PHE  33           HA       PHE  33  -6.305  -7.307   0.928
  263    HB2  PHE  33           HB2      PHE  33  -6.600  -9.231  -0.526
  264    HB3  PHE  33           HB1      PHE  33  -8.269  -9.401   0.001
  265    HD1  PHE  33           HD2      PHE  33  -5.934  -7.280  -1.903
  266    HD2  PHE  33           HD1      PHE  33 -10.008  -8.086  -0.965
  267    HE1  PHE  33           HE2      PHE  33  -6.650  -5.784  -3.719
  268    HE2  PHE  33           HE1      PHE  33 -10.728  -6.593  -2.779
  269    HZ   PHE  33           HZ       PHE  33  -9.047  -5.435  -4.155
  270    H    GLN  34           HN       GLN  34  -9.418  -8.729   2.070
  271    HA   GLN  34           HA       GLN  34 -10.840  -6.383   1.575
  272    HB2  GLN  34           HB2      GLN  34 -12.669  -7.443   2.729
  273    HB3  GLN  34           HB1      GLN  34 -11.832  -8.659   1.784
  274    HG2  GLN  34           HG2      GLN  34 -11.968  -9.888   3.656
  275    HG3  GLN  34           HG1      GLN  34 -10.603  -8.926   4.202
  276   HE21  GLN  34          HE21      GLN  34 -12.434  -6.503   4.444
  277   HE22  GLN  34          HE22      GLN  34 -13.293  -6.744   5.889
  278    H    GLU  35           HN       GLU  35  -8.889  -7.300   4.251
  279    HA   GLU  35           HA       GLU  35 -10.156  -5.374   6.000
  280    HB2  GLU  35           HB2      GLU  35  -7.760  -7.156   6.446
  281    HB3  GLU  35           HB1      GLU  35  -8.394  -6.056   7.660
  282    HG2  GLU  35           HG2      GLU  35 -10.585  -7.241   7.469
  283    HG3  GLU  35           HG1      GLU  35  -9.776  -8.424   6.448
  284    H    LEU  36           HN       LEU  36  -7.163  -5.757   4.202
  285    HA   LEU  36           HA       LEU  36  -5.951  -3.333   4.902
  286    HB2  LEU  36           HB2      LEU  36  -4.660  -4.881   3.725
  287    HB3  LEU  36           HB1      LEU  36  -5.853  -5.139   2.487
  288    HG   LEU  36           HG       LEU  36  -5.373  -2.787   1.706
  289   HD11  LEU  36          HD11      LEU  36  -3.087  -3.012   3.637
  290   HD12  LEU  36          HD12      LEU  36  -4.425  -1.864   3.687
  291   HD13  LEU  36          HD13      LEU  36  -3.245  -1.787   2.378
  292   HD21  LEU  36          HD21      LEU  36  -4.493  -4.656   0.496
  293   HD22  LEU  36          HD22      LEU  36  -3.188  -4.860   1.646
  294   HD23  LEU  36          HD23      LEU  36  -3.225  -3.432   0.602
  295    H    LEU  37           HN       LEU  37  -8.275  -4.219   2.370
  296    HA   LEU  37           HA       LEU  37  -8.564  -1.735   1.127
  297    HB2  LEU  37           HB2      LEU  37  -9.371  -3.866   0.213
  298    HB3  LEU  37           HB1      LEU  37 -10.557  -3.967   1.493
  299    HG   LEU  37           HG       LEU  37 -11.642  -1.923   0.593
  300   HD11  LEU  37          HD11      LEU  37  -9.739  -0.930  -0.542
  301   HD12  LEU  37          HD12      LEU  37 -11.070  -1.180  -1.667
  302   HD13  LEU  37          HD13      LEU  37  -9.690  -2.279  -1.678
  303   HD21  LEU  37          HD21      LEU  37 -12.679  -3.042  -1.306
  304   HD22  LEU  37          HD22      LEU  37 -12.440  -4.166   0.032
  305   HD23  LEU  37          HD23      LEU  37 -11.354  -4.205  -1.357
  306    H    ASN  38           HN       ASN  38 -10.130  -3.101   3.952
  307    HA   ASN  38           HA       ASN  38 -12.071  -1.054   4.276
  308    HB2  ASN  38           HB2      ASN  38 -12.145  -3.347   5.333
  309    HB3  ASN  38           HB1      ASN  38 -10.893  -2.807   6.445
  310   HD21  ASN  38          HD21      ASN  38 -12.199  -3.040   8.254
  311   HD22  ASN  38          HD22      ASN  38 -13.523  -1.986   8.567
  312    H    GLU  39           HN       GLU  39  -8.752  -1.445   5.341
  313    HA   GLU  39           HA       GLU  39  -8.807   0.873   7.002
  314    HB2  GLU  39           HB2      GLU  39  -6.479  -0.697   5.879
  315    HB3  GLU  39           HB1      GLU  39  -6.281   0.697   6.934
  316    HG2  GLU  39           HG2      GLU  39  -7.597  -0.465   8.666
  317    HG3  GLU  39           HG1      GLU  39  -7.709  -1.849   7.582
  318    H    ILE  40           HN       ILE  40  -7.842   0.240   3.694
  319    HA   ILE  40           HA       ILE  40  -6.898   2.789   3.021
  320    HB   ILE  40           HB       ILE  40  -8.341   0.765   1.278
  321   HG12  ILE  40          HG12      ILE  40  -5.390   1.340   1.639
  322   HG13  ILE  40          HG11      ILE  40  -6.247  -0.025   2.341
  323   HG21  ILE  40          HG21      ILE  40  -6.691   3.168   0.453
  324   HG22  ILE  40          HG22      ILE  40  -8.432   2.985   0.244
  325   HG23  ILE  40          HG23      ILE  40  -7.326   1.935  -0.639
  326   HD11  ILE  40          HD11      ILE  40  -4.986  -0.678   0.377
  327   HD12  ILE  40          HD12      ILE  40  -5.859   0.506  -0.596
  328   HD13  ILE  40          HD13      ILE  40  -6.715  -0.870   0.100
  329    H    ALA  41           HN       ALA  41 -10.113   1.360   2.894
  330    HA   ALA  41           HA       ALA  41 -11.628   3.469   1.865
  331    HB1  ALA  41           HB1      ALA  41 -12.448   1.156   2.196
  332    HB2  ALA  41           HB2      ALA  41 -13.540   2.386   2.831
  333    HB3  ALA  41           HB3      ALA  41 -12.515   1.464   3.933
  334    H    SER  42           HN       SER  42 -10.809   2.718   5.057
  335    HA   SER  42           HA       SER  42 -12.052   5.024   6.309
  336    HB2  SER  42           HB2      SER  42  -9.877   3.234   7.439
  337    HB3  SER  42           HB1      SER  42 -10.958   4.288   8.353
  338    HG   SER  42           HG       SER  42 -11.526   1.850   7.032
  339    H    LEU  43           HN       LEU  43  -8.769   4.499   5.095
  340    HA   LEU  43           HA       LEU  43  -7.750   6.884   6.174
  341    HB2  LEU  43           HB2      LEU  43  -7.012   5.424   3.636
  342    HB3  LEU  43           HB1      LEU  43  -6.080   6.725   4.339
  343    HG   LEU  43           HG       LEU  43  -6.560   4.044   5.639
  344   HD11  LEU  43          HD11      LEU  43  -4.125   5.149   4.268
  345   HD12  LEU  43          HD12      LEU  43  -5.175   3.880   3.645
  346   HD13  LEU  43          HD13      LEU  43  -4.235   3.604   5.108
  347   HD21  LEU  43          HD21      LEU  43  -6.208   5.816   7.263
  348   HD22  LEU  43          HD22      LEU  43  -4.761   6.342   6.403
  349   HD23  LEU  43          HD23      LEU  43  -4.797   4.763   7.187
  350    H    LEU  44           HN       LEU  44  -9.417   6.118   3.187
  351    HA   LEU  44           HA       LEU  44  -9.193   8.787   2.184
  352    HB2  LEU  44           HB2      LEU  44  -9.210   6.830   0.701
  353    HB3  LEU  44           HB1      LEU  44 -10.838   6.452   1.202
  354    HG   LEU  44           HG       LEU  44 -11.662   8.499   0.108
  355   HD11  LEU  44          HD11      LEU  44  -9.707   9.888   0.413
  356   HD12  LEU  44          HD12      LEU  44 -10.167   9.831  -1.290
  357   HD13  LEU  44          HD13      LEU  44  -8.788   8.890  -0.713
  358   HD21  LEU  44          HD21      LEU  44 -11.253   7.834  -2.203
  359   HD22  LEU  44          HD22      LEU  44 -11.540   6.426  -1.179
  360   HD23  LEU  44          HD23      LEU  44  -9.901   6.829  -1.683
  361    H    GLY  45           HN       GLY  45 -11.397   7.189   4.305
  362    HA2  GLY  45           HA2      GLY  45 -13.068   8.157   5.550
  363    HA3  GLY  45           HA1      GLY  45 -12.949   9.601   4.551
  364    H    VAL  46           HN       VAL  46 -13.354   6.406   3.170
  365    HA   VAL  46           HA       VAL  46 -16.079   7.223   2.442
  366    HB   VAL  46           HB       VAL  46 -15.780   6.355   0.166
  367   HG11  VAL  46          HG11      VAL  46 -15.476   8.724   0.498
  368   HG12  VAL  46          HG12      VAL  46 -14.337   8.145  -0.723
  369   HG13  VAL  46          HG13      VAL  46 -13.783   8.477   0.916
  370   HG21  VAL  46          HG21      VAL  46 -14.017   4.729   0.583
  371   HG22  VAL  46          HG22      VAL  46 -12.879   6.030   0.925
  372   HG23  VAL  46          HG23      VAL  46 -13.548   5.844  -0.699
  373    H    LYS  47           HN       LYS  47 -17.273   5.445   1.429
  374    HA   LYS  47           HA       LYS  47 -17.075   2.957   2.927
  375    HB2  LYS  47           HB2      LYS  47 -19.062   4.033   0.896
  376    HB3  LYS  47           HB1      LYS  47 -19.271   2.508   1.763
  377    HG2  LYS  47           HG2      LYS  47 -19.650   3.657   3.774
  378    HG3  LYS  47           HG1      LYS  47 -18.977   5.153   3.138
  379    HD2  LYS  47           HD2      LYS  47 -21.344   5.442   3.236
  380    HD3  LYS  47           HD1      LYS  47 -20.919   5.259   1.549
  381    HE2  LYS  47           HE2      LYS  47 -22.005   3.016   3.262
  382    HE3  LYS  47           HE1      LYS  47 -23.020   4.099   2.327
  383    HZ1  LYS  47           HZ1      LYS  47 -22.771   2.195   1.079
  384    HZ2  LYS  47           HZ2      LYS  47 -21.188   1.979   1.384
  385    HZ3  LYS  47           HZ3      LYS  47 -21.671   3.202   0.294
  386    H    LYS  48           HN       LYS  48 -16.487   1.003   1.930
  387    HA   LYS  48           HA       LYS  48 -14.623   1.272  -0.123
  388    HB2  LYS  48           HB2      LYS  48 -14.323  -1.145   0.130
  389    HB3  LYS  48           HB1      LYS  48 -14.453  -0.359   1.696
  390    HG2  LYS  48           HG2      LYS  48 -16.975  -0.997   1.466
  391    HG3  LYS  48           HG1      LYS  48 -16.366  -2.174   0.314
  392    HD2  LYS  48           HD2      LYS  48 -16.590  -3.198   2.453
  393    HD3  LYS  48           HD1      LYS  48 -14.862  -3.051   2.089
  394    HE2  LYS  48           HE2      LYS  48 -14.621  -1.207   3.599
  395    HE3  LYS  48           HE1      LYS  48 -16.365  -1.026   3.754
  396    HZ1  LYS  48           HZ1      LYS  48 -15.252  -2.087   5.686
  397    HZ2  LYS  48           HZ2      LYS  48 -14.903  -3.445   4.729
  398    HZ3  LYS  48           HZ3      LYS  48 -16.486  -2.995   5.023
  399    H    GLU  49           HN       GLU  49 -17.946   0.509  -0.083
  400    HA   GLU  49           HA       GLU  49 -18.270  -0.765  -2.592
  401    HB2  GLU  49           HB2      GLU  49 -20.431   0.866  -1.269
  402    HB3  GLU  49           HB1      GLU  49 -20.598  -0.556  -2.280
  403    HG2  GLU  49           HG2      GLU  49 -21.045  -1.453  -0.179
  404    HG3  GLU  49           HG1      GLU  49 -19.318  -1.725  -0.322
  405    H    GLU  50           HN       GLU  50 -17.815   2.535  -1.689
  406    HA   GLU  50           HA       GLU  50 -19.160   3.579  -4.040
  407    HB2  GLU  50           HB2      GLU  50 -17.402   5.138  -2.173
  408    HB3  GLU  50           HB1      GLU  50 -18.688   5.740  -3.207
  409    HG2  GLU  50           HG2      GLU  50 -18.975   3.952  -0.883
  410    HG3  GLU  50           HG1      GLU  50 -19.335   5.693  -0.846
  411    H    LEU  51           HN       LEU  51 -16.254   2.337  -3.282
  412    HA   LEU  51           HA       LEU  51 -14.579   3.953  -4.916
  413    HB2  LEU  51           HB2      LEU  51 -14.157   1.218  -3.751
  414    HB3  LEU  51           HB1      LEU  51 -12.925   2.091  -4.637
  415    HG   LEU  51           HG       LEU  51 -14.178   2.987  -2.035
  416   HD11  LEU  51          HD11      LEU  51 -12.739   1.040  -1.744
  417   HD12  LEU  51          HD12      LEU  51 -11.994   2.484  -1.062
  418   HD13  LEU  51          HD13      LEU  51 -11.443   1.858  -2.617
  419   HD21  LEU  51          HD21      LEU  51 -11.934   4.151  -3.682
  420   HD22  LEU  51          HD22      LEU  51 -12.355   4.648  -2.049
  421   HD23  LEU  51          HD23      LEU  51 -13.506   4.897  -3.359
  422    H    GLY  52           HN       GLY  52 -16.930   1.691  -5.705
  423    HA2  GLY  52           HA2      GLY  52 -17.019  -0.094  -7.313
  424    HA3  GLY  52           HA1      GLY  52 -17.167   1.401  -8.205
  425    H    ASP  53           HN       ASP  53 -15.874   1.624  -9.898
  426    HA   ASP  53           HA       ASP  53 -14.096   0.058 -11.047
  427    HB2  ASP  53           HB2      ASP  53 -14.832   2.054 -12.107
  428    HB3  ASP  53           HB1      ASP  53 -14.037   3.062 -10.909
  429    H    ARG  54           HN       ARG  54 -13.259   1.970  -8.195
  430    HA   ARG  54           HA       ARG  54 -10.445   1.898  -8.726
  431    HB2  ARG  54           HB2      ARG  54 -12.045   2.796  -6.346
  432    HB3  ARG  54           HB1      ARG  54 -10.291   2.754  -6.352
  433    HG2  ARG  54           HG2      ARG  54 -12.073   4.411  -8.113
  434    HG3  ARG  54           HG1      ARG  54 -11.071   4.983  -6.777
  435    HD2  ARG  54           HD2      ARG  54  -9.103   3.994  -8.079
  436    HD3  ARG  54           HD1      ARG  54 -10.212   3.914  -9.448
  437    HE   ARG  54           HE       ARG  54  -9.794   6.391  -8.005
  438   HH11  ARG  54          HH11      ARG  54  -9.658   4.613 -11.093
  439   HH12  ARG  54          HH12      ARG  54  -9.105   5.947 -11.985
  440   HH21  ARG  54          HH21      ARG  54  -9.056   8.232  -9.292
  441   HH22  ARG  54          HH22      ARG  54  -8.744   8.023 -10.955
  442    H    ILE  55           HN       ILE  55 -12.788  -0.172  -7.376
  443    HA   ILE  55           HA       ILE  55 -11.079  -1.579  -5.557
  444    HB   ILE  55           HB       ILE  55 -13.668  -2.456  -6.886
  445   HG12  ILE  55          HG12      ILE  55 -13.964  -0.531  -5.389
  446   HG13  ILE  55          HG11      ILE  55 -14.742  -1.966  -4.736
  447   HG21  ILE  55          HG21      ILE  55 -12.400  -4.413  -6.221
  448   HG22  ILE  55          HG22      ILE  55 -13.806  -4.219  -5.173
  449   HG23  ILE  55          HG23      ILE  55 -12.203  -3.764  -4.594
  450   HD11  ILE  55          HD11      ILE  55 -13.647  -0.759  -2.972
  451   HD12  ILE  55          HD12      ILE  55 -12.126  -0.771  -3.858
  452   HD13  ILE  55          HD13      ILE  55 -12.799  -2.284  -3.247
  453    H    ALA  56           HN       ALA  56 -12.347  -2.251  -8.753
  454    HA   ALA  56           HA       ALA  56 -10.814  -4.577  -9.228
  455    HB1  ALA  56           HB1      ALA  56 -12.880  -4.086 -10.457
  456    HB2  ALA  56           HB2      ALA  56 -11.524  -4.328 -11.560
  457    HB3  ALA  56           HB3      ALA  56 -12.100  -2.696 -11.214
  458    H    GLN  57           HN       GLN  57 -10.356  -1.155  -9.954
  459    HA   GLN  57           HA       GLN  57  -7.967  -1.407 -11.390
  460    HB2  GLN  57           HB2      GLN  57  -9.240   0.693 -11.330
  461    HB3  GLN  57           HB1      GLN  57  -8.912   0.851  -9.615
  462    HG2  GLN  57           HG2      GLN  57  -7.517   2.346 -10.959
  463    HG3  GLN  57           HG1      GLN  57  -6.552   1.182 -10.057
  464   HE21  GLN  57          HE21      GLN  57  -5.428  -0.394 -11.171
  465   HE22  GLN  57          HE22      GLN  57  -5.198  -0.350 -12.874
  466    H    PHE  58           HN       PHE  58  -8.487  -0.722  -7.902
  467    HA   PHE  58           HA       PHE  58  -5.821  -0.790  -7.131
  468    HB2  PHE  58           HB2      PHE  58  -7.511  -0.095  -5.513
  469    HB3  PHE  58           HB1      PHE  58  -8.229  -1.703  -5.523
  470    HD1  PHE  58           HD1      PHE  58  -7.151  -3.558  -4.373
  471    HD2  PHE  58           HD2      PHE  58  -5.420   0.322  -4.335
  472    HE1  PHE  58           HE1      PHE  58  -5.632  -4.279  -2.624
  473    HE2  PHE  58           HE2      PHE  58  -3.901  -0.373  -2.535
  474    HZ   PHE  58           HZ       PHE  58  -3.998  -2.670  -1.665
  475    H    TYR  59           HN       TYR  59  -8.104  -3.509  -7.308
  476    HA   TYR  59           HA       TYR  59  -6.402  -5.489  -6.343
  477    HB2  TYR  59           HB2      TYR  59  -8.881  -5.686  -6.692
  478    HB3  TYR  59           HB1      TYR  59  -8.585  -5.803  -8.417
  479    HD1  TYR  59           HD1      TYR  59  -8.300  -7.520  -5.191
  480    HD2  TYR  59           HD2      TYR  59  -7.731  -7.852  -9.377
  481    HE1  TYR  59           HE1      TYR  59  -8.104  -9.952  -4.957
  482    HE2  TYR  59           HE2      TYR  59  -7.527 -10.295  -9.161
  483    HH   TYR  59           HH       TYR  59  -7.048 -11.937  -7.563
  484    H    THR  60           HN       THR  60  -7.079  -4.553  -9.723
  485    HA   THR  60           HA       THR  60  -5.207  -6.357 -10.845
  486    HB   THR  60           HB       THR  60  -6.102  -3.707 -12.030
  487    HG1  THR  60           HG1      THR  60  -7.971  -4.721 -11.628
  488   HG21  THR  60          HG21      THR  60  -5.253  -6.317 -13.304
  489   HG22  THR  60          HG22      THR  60  -4.266  -4.859 -13.212
  490   HG23  THR  60          HG23      THR  60  -5.746  -4.863 -14.171
  491    H    ASP  61           HN       ASP  61  -4.880  -2.956  -9.920
  492    HA   ASP  61           HA       ASP  61  -2.265  -2.533 -10.824
  493    HB2  ASP  61           HB2      ASP  61  -3.974  -0.818  -9.920
  494    HB3  ASP  61           HB1      ASP  61  -3.427  -1.289  -8.323
  495    H    LEU  62           HN       LEU  62  -3.426  -3.437  -7.572
  496    HA   LEU  62           HA       LEU  62  -0.894  -3.557  -6.345
  497    HB2  LEU  62           HB2      LEU  62  -3.097  -3.346  -5.182
  498    HB3  LEU  62           HB1      LEU  62  -3.371  -5.045  -5.520
  499    HG   LEU  62           HG       LEU  62  -1.119  -5.397  -4.323
  500   HD11  LEU  62          HD11      LEU  62  -1.866  -2.680  -3.327
  501   HD12  LEU  62          HD12      LEU  62  -0.429  -3.134  -4.247
  502   HD13  LEU  62          HD13      LEU  62  -0.650  -3.735  -2.608
  503   HD21  LEU  62          HD21      LEU  62  -3.571  -4.578  -2.771
  504   HD22  LEU  62          HD22      LEU  62  -2.234  -5.544  -2.148
  505   HD23  LEU  62          HD23      LEU  62  -3.258  -6.181  -3.437
  506    H    ASN  63           HN       ASN  63  -2.901  -5.980  -7.908
  507    HA   ASN  63           HA       ASN  63  -1.351  -8.129  -6.852
  508    HB2  ASN  63           HB2      ASN  63  -3.582  -8.086  -8.873
  509    HB3  ASN  63           HB1      ASN  63  -2.732  -9.561  -8.457
  510   HD21  ASN  63          HD21      ASN  63  -3.678  -6.957  -6.043
  511   HD22  ASN  63          HD22      ASN  63  -4.768  -8.012  -5.250
  512    H    ILE  64           HN       ILE  64  -0.975  -6.125  -9.470
  513    HA   ILE  64           HA       ILE  64   1.158  -7.939 -10.505
  514    HB   ILE  64           HB       ILE  64   1.085  -6.861 -12.684
  515   HG12  ILE  64          HG12      ILE  64  -1.222  -5.204 -11.613
  516   HG13  ILE  64          HG11      ILE  64   0.390  -4.597 -11.964
  517   HG21  ILE  64          HG21      ILE  64  -0.340  -8.784 -12.393
  518   HG22  ILE  64          HG22      ILE  64  -1.114  -7.630 -13.479
  519   HG23  ILE  64          HG23      ILE  64  -1.649  -7.761 -11.803
  520   HD11  ILE  64          HD11      ILE  64  -1.548  -5.727 -13.973
  521   HD12  ILE  64          HD12      ILE  64   0.061  -5.099 -14.333
  522   HD13  ILE  64          HD13      ILE  64  -1.193  -4.019 -13.724
  523    H    ASP  65           HN       ASP  65   0.774  -5.507  -8.559
  524    HA   ASP  65           HA       ASP  65   2.527  -3.468  -9.240
  525    HB2  ASP  65           HB2      ASP  65   0.840  -3.437  -7.416
  526    HB3  ASP  65           HB1      ASP  65   1.888  -4.497  -6.494
  527    H    GLY  66           HN       GLY  66   4.487  -2.849  -8.479
  528    HA2  GLY  66           HA2      GLY  66   6.492  -4.939  -8.527
  529    HA3  GLY  66           HA1      GLY  66   6.791  -3.200  -8.506
  530    H    ARG  67           HN       ARG  67   4.745  -3.065  -6.240
  531    HA   ARG  67           HA       ARG  67   6.597  -3.928  -4.178
  532    HB2  ARG  67           HB2      ARG  67   4.040  -2.301  -3.771
  533    HB3  ARG  67           HB1      ARG  67   5.293  -2.578  -2.579
  534    HG2  ARG  67           HG2      ARG  67   5.419  -0.312  -3.196
  535    HG3  ARG  67           HG1      ARG  67   6.731  -1.076  -4.096
  536    HD2  ARG  67           HD2      ARG  67   5.687  -0.809  -6.104
  537    HD3  ARG  67           HD1      ARG  67   4.085  -0.945  -5.410
  538    HE   ARG  67           HE       ARG  67   5.433   1.516  -4.712
  539   HH11  ARG  67          HH11      ARG  67   3.303  -0.152  -7.016
  540   HH12  ARG  67          HH12      ARG  67   2.689   1.275  -7.687
  541   HH21  ARG  67          HH21      ARG  67   4.568   3.468  -5.645
  542   HH22  ARG  67          HH22      ARG  67   3.414   3.357  -6.915
  543    H    PHE  68           HN       PHE  68   4.985  -4.527  -2.245
  544    HA   PHE  68           HA       PHE  68   3.802  -6.182  -1.171
  545    HB2  PHE  68           HB2      PHE  68   1.991  -5.900  -3.551
  546    HB3  PHE  68           HB1      PHE  68   1.590  -6.772  -2.072
  547    HD1  PHE  68           HD1      PHE  68   2.899  -3.615  -3.151
  548    HD2  PHE  68           HD2      PHE  68   0.448  -5.631  -0.437
  549    HE1  PHE  68           HE1      PHE  68   2.181  -1.388  -2.195
  550    HE2  PHE  68           HE2      PHE  68  -0.276  -3.502   0.565
  551    HZ   PHE  68           HZ       PHE  68   0.597  -1.372  -0.325
  552    H    LEU  69           HN       LEU  69   3.523  -8.254  -0.809
  553    HA   LEU  69           HA       LEU  69   3.742 -10.185  -2.919
  554    HB2  LEU  69           HB2      LEU  69   5.411 -11.518  -1.569
  555    HB3  LEU  69           HB1      LEU  69   6.049 -10.050  -2.266
  556    HG   LEU  69           HG       LEU  69   5.627  -9.035   0.105
  557   HD11  LEU  69          HD11      LEU  69   5.780 -11.951   0.826
  558   HD12  LEU  69          HD12      LEU  69   4.390 -10.891   1.055
  559   HD13  LEU  69          HD13      LEU  69   5.882 -10.592   1.948
  560   HD21  LEU  69          HD21      LEU  69   7.834 -10.998  -0.431
  561   HD22  LEU  69          HD22      LEU  69   7.849  -9.761   0.822
  562   HD23  LEU  69          HD23      LEU  69   7.816  -9.290  -0.870
  563    H    ALA  70           HN       ALA  70   2.292 -11.814  -2.560
  564    HA   ALA  70           HA       ALA  70   0.709 -11.636  -0.061
  565    HB1  ALA  70           HB1      ALA  70  -0.518 -11.754  -2.290
  566    HB2  ALA  70           HB2      ALA  70  -0.911 -13.070  -1.182
  567    HB3  ALA  70           HB3      ALA  70   0.203 -13.346  -2.521
  568    H    LEU  71           HN       LEU  71   0.581 -12.906   1.429
  569    HA   LEU  71           HA       LEU  71   2.901 -14.581   1.860
  570    HB2  LEU  71           HB2      LEU  71   0.561 -14.004   3.698
  571    HB3  LEU  71           HB1      LEU  71   1.948 -14.957   4.146
  572    HG   LEU  71           HG       LEU  71   2.057 -12.771   5.141
  573   HD11  LEU  71          HD11      LEU  71   4.156 -13.759   4.575
  574   HD12  LEU  71          HD12      LEU  71   4.189 -12.000   4.442
  575   HD13  LEU  71          HD13      LEU  71   4.108 -12.989   2.976
  576   HD21  LEU  71          HD21      LEU  71   1.921 -11.697   2.347
  577   HD22  LEU  71          HD22      LEU  71   2.354 -10.750   3.757
  578   HD23  LEU  71          HD23      LEU  71   0.737 -11.464   3.635
  579    H    SER  72           HN       SER  72  -0.332 -15.469   2.984
  580    HA   SER  72           HA       SER  72   0.180 -18.174   2.073
  581    HB2  SER  72           HB2      SER  72  -2.186 -17.073   3.610
  582    HB3  SER  72           HB1      SER  72  -1.669 -18.760   3.524
  583    HG   SER  72           HG       SER  72  -1.054 -17.160   5.390
  584    H    ASP  73           HN       ASP  73  -2.747 -15.950   1.954
  585    HA   ASP  73           HA       ASP  73  -2.586 -16.067  -0.887
  586    HB2  ASP  73           HB2      ASP  73  -3.670 -18.202  -0.616
  587    HB3  ASP  73           HB1      ASP  73  -4.879 -17.507   0.457
  588    H    GLN  74           HN       GLN  74  -4.992 -15.540   1.602
  589    HA   GLN  74           HA       GLN  74  -6.220 -13.453   0.195
  590    HB2  GLN  74           HB2      GLN  74  -7.515 -13.092   2.221
  591    HB3  GLN  74           HB1      GLN  74  -7.428 -14.795   1.802
  592    HG2  GLN  74           HG2      GLN  74  -5.594 -15.022   3.495
  593    HG3  GLN  74           HG1      GLN  74  -5.907 -13.356   3.948
  594   HE21  GLN  74          HE21      GLN  74  -7.787 -12.848   5.048
  595   HE22  GLN  74          HE22      GLN  74  -8.726 -14.106   5.758
  596    H    THR  75           HN       THR  75  -3.761 -13.468   2.713
  597    HA   THR  75           HA       THR  75  -3.618 -10.761   3.478
  598    HB   THR  75           HB       THR  75  -1.463 -11.759   4.344
  599    HG1  THR  75           HG1      THR  75  -1.700 -13.379   2.600
  600   HG21  THR  75          HG21      THR  75  -2.619 -13.095   6.070
  601   HG22  THR  75          HG22      THR  75  -4.056 -13.180   5.052
  602   HG23  THR  75          HG23      THR  75  -3.539 -11.632   5.721
  603    H    TRP  76           HN       TRP  76  -2.222  -9.305   2.736
  604    HA   TRP  76           HA       TRP  76  -0.255  -9.875   0.645
  605    HB2  TRP  76           HB2      TRP  76  -2.011  -7.516   1.256
  606    HB3  TRP  76           HB1      TRP  76  -0.568  -7.408   0.246
  607    HD1  TRP  76           HD1      TRP  76  -4.153  -8.695   0.195
  608    HE1  TRP  76           HE1      TRP  76  -4.690  -9.533  -2.185
  609    HE3  TRP  76           HE3      TRP  76   0.518  -8.434  -1.832
  610    HZ2  TRP  76           HZ2      TRP  76  -3.312 -10.006  -4.590
  611    HZ3  TRP  76           HZ3      TRP  76   0.827  -9.084  -4.186
  612    HH2  TRP  76           HH2      TRP  76  -1.048  -9.861  -5.531
  613    H    GLY  77           HN       GLY  77   1.734  -8.917   1.087
  614    HA2  GLY  77           HA2      GLY  77   2.006  -7.478   3.618
  615    HA3  GLY  77           HA1      GLY  77   3.058  -8.847   3.262
  616    H    LEU  78           HN       LEU  78   3.639  -6.007   3.658
  617    HA   LEU  78           HA       LEU  78   4.452  -5.041   1.110
  618    HB2  LEU  78           HB2      LEU  78   4.141  -3.972   3.528
  619    HB3  LEU  78           HB1      LEU  78   5.861  -4.194   3.572
  620    HG   LEU  78           HG       LEU  78   5.152  -1.869   2.870
  621   HD11  LEU  78          HD11      LEU  78   7.358  -2.790   2.302
  622   HD12  LEU  78          HD12      LEU  78   6.747  -1.589   1.183
  623   HD13  LEU  78          HD13      LEU  78   6.713  -3.282   0.730
  624   HD21  LEU  78          HD21      LEU  78   4.285  -3.237   0.327
  625   HD22  LEU  78          HD22      LEU  78   4.342  -1.507   0.630
  626   HD23  LEU  78          HD23      LEU  78   3.209  -2.521   1.526
  627    H    ARG  79           HN       ARG  79   6.461  -5.083   0.154
  628    HA   ARG  79           HA       ARG  79   7.949  -7.468   0.522
  629    HB2  ARG  79           HB2      ARG  79   8.581  -5.127  -1.245
  630    HB3  ARG  79           HB1      ARG  79   9.277  -6.732  -1.348
  631    HG2  ARG  79           HG2      ARG  79   7.077  -7.631  -1.917
  632    HG3  ARG  79           HG1      ARG  79   6.410  -6.000  -1.828
  633    HD2  ARG  79           HD2      ARG  79   6.798  -6.360  -4.077
  634    HD3  ARG  79           HD1      ARG  79   8.076  -5.317  -3.525
  635    HE   ARG  79           HE       ARG  79   8.900  -8.069  -3.339
  636   HH11  ARG  79          HH11      ARG  79   8.806  -5.432  -5.747
  637   HH12  ARG  79          HH12      ARG  79  10.240  -5.937  -6.501
  638   HH21  ARG  79          HH21      ARG  79  10.775  -8.715  -4.373
  639   HH22  ARG  79          HH22      ARG  79  11.397  -7.884  -5.723
  640    H    SER  80           HN       SER  80   8.372  -4.431   2.153
  641    HA   SER  80           HA       SER  80  11.174  -4.151   1.792
  642    HB2  SER  80           HB2      SER  80   9.301  -2.867   3.760
  643    HB3  SER  80           HB1      SER  80  10.944  -2.346   3.393
  644    HG   SER  80           HG       SER  80   9.103  -1.306   2.335
  645    H    TRP  81           HN       TRP  81   9.611  -6.445   3.493
  646    HA   TRP  81           HA       TRP  81  11.368  -6.178   5.770
  647    HB2  TRP  81           HB2      TRP  81   9.254  -8.322   5.394
  648    HB3  TRP  81           HB1      TRP  81  10.025  -7.810   6.893
  649    HD1  TRP  81           HD1      TRP  81   9.714  -4.694   6.730
  650    HE1  TRP  81           HE1      TRP  81   7.434  -3.556   6.784
  651    HE3  TRP  81           HE3      TRP  81   6.786  -8.709   5.469
  652    HZ2  TRP  81           HZ2      TRP  81   4.725  -4.269   6.383
  653    HZ3  TRP  81           HZ3      TRP  81   4.356  -8.379   5.348
  654    HH2  TRP  81           HH2      TRP  81   3.357  -6.186   5.797
  655    H    TYR  82           HN       TYR  82  11.811  -7.139   2.824
  656    HA   TYR  82           HA       TYR  82  13.997  -8.758   3.703
  657    HB2  TYR  82           HB2      TYR  82  13.870 -10.345   1.822
  658    HB3  TYR  82           HB1      TYR  82  12.402 -10.426   2.753
  659    HD1  TYR  82           HD1      TYR  82  12.839  -7.765   0.204
  660    HD2  TYR  82           HD2      TYR  82  11.328 -11.647   0.992
  661    HE1  TYR  82           HE1      TYR  82  11.615  -7.716  -1.926
  662    HE2  TYR  82           HE2      TYR  82  10.091 -11.600  -1.117
  663    HH   TYR  82           HH       TYR  82   9.301 -10.184  -2.747
  664    HA   PRO  83           HA       PRO  83  16.670  -6.128   1.458
  665    HB2  PRO  83           HB2      PRO  83  17.438  -8.397  -0.316
  666    HB3  PRO  83           HB1      PRO  83  18.465  -7.232   0.533
  667    HG2  PRO  83           HG2      PRO  83  18.174  -9.633   1.539
  668    HG3  PRO  83           HG1      PRO  83  18.056  -8.227   2.619
  669    HD2  PRO  83           HD2      PRO  83  15.884  -9.919   1.458
  670    HD3  PRO  83           HD1      PRO  83  16.054  -9.273   3.107
  671    H    TYR  84           HN       TYR  84  16.502  -4.717  -0.237
  672    HA   TYR  84           HA       TYR  84  16.693  -5.181  -2.875
  673    HB2  TYR  84           HB2      TYR  84  14.579  -4.631  -3.958
  674    HB3  TYR  84           HB1      TYR  84  14.392  -6.095  -3.033
  675    HD1  TYR  84           HD2      TYR  84  13.136  -5.887  -0.802
  676    HD2  TYR  84           HD1      TYR  84  13.102  -2.869  -3.767
  677    HE1  TYR  84           HE2      TYR  84  11.055  -5.015   0.116
  678    HE2  TYR  84           HE1      TYR  84  11.010  -1.975  -2.844
  679    HH   TYR  84           HH       TYR  84   9.843  -2.744   0.157
  680    H    ASP  85           HN       ASP  85  14.767  -2.650  -1.289
  681    HA   ASP  85           HA       ASP  85  17.180  -1.053  -1.660
  682    HB2  ASP  85           HB2      ASP  85  16.173   0.714  -2.918
  683    HB3  ASP  85           HB1      ASP  85  15.868  -0.777  -3.778
  684    H    GLN  86           HN       GLN  86  15.090  -2.096   0.382
  685    HA   GLN  86           HA       GLN  86  15.746  -0.285   2.373
  686    HB2  GLN  86           HB2      GLN  86  13.595   0.698   2.919
  687    HB3  GLN  86           HB1      GLN  86  13.959   1.089   1.250
  688    HG2  GLN  86           HG2      GLN  86  12.551  -1.010   0.751
  689    HG3  GLN  86           HG1      GLN  86  11.834  -0.695   2.355
  690   HE21  GLN  86          HE21      GLN  86  12.258   0.073  -0.855
  691   HE22  GLN  86          HE22      GLN  86  11.090   1.370  -0.910
  692    H    LEU  87           HN       LEU  87  16.120  -1.826   3.940
  693    HA   LEU  87           HA       LEU  87  14.259  -4.023   4.150
  694    HB2  LEU  87           HB2      LEU  87  16.655  -4.495   4.176
  695    HB3  LEU  87           HB1      LEU  87  16.882  -3.406   5.523
  696    HG   LEU  87           HG       LEU  87  15.525  -4.936   6.937
  697   HD11  LEU  87          HD11      LEU  87  15.088  -7.205   6.146
  698   HD12  LEU  87          HD12      LEU  87  15.643  -6.749   4.535
  699   HD13  LEU  87          HD13      LEU  87  14.197  -6.004   5.216
  700   HD21  LEU  87          HD21      LEU  87  17.252  -6.653   7.142
  701   HD22  LEU  87          HD22      LEU  87  17.952  -5.046   6.951
  702   HD23  LEU  87          HD23      LEU  87  17.919  -6.164   5.586
  703    H    ASP  88           HN       ASP  88  12.505  -2.847   4.872
  704    HA   ASP  88           HA       ASP  88  10.947  -2.164   6.542
  705    HB2  ASP  88           HB2      ASP  88  11.896  -4.254   7.666
  706    HB3  ASP  88           HB1      ASP  88  13.130  -3.251   8.384
  707    H    GLU  89           HN       GLU  89  13.320  -0.540   5.686
  708    HA   GLU  89           HA       GLU  89  12.875   1.461   7.769
  709    HB2  GLU  89           HB2      GLU  89  15.240   0.673   7.333
  710    HB3  GLU  89           HB1      GLU  89  15.083   1.433   5.744
  711    HG2  GLU  89           HG2      GLU  89  16.256   2.828   7.451
  712    HG3  GLU  89           HG1      GLU  89  14.848   3.593   6.712
  713    H    GLU  90           HN       GLU  90  12.266   3.394   7.262
  714    HA   GLU  90           HA       GLU  90  10.650   3.814   4.896
  715    HB2  GLU  90           HB2      GLU  90  10.049   5.912   6.125
  716    HB3  GLU  90           HB1      GLU  90   9.763   4.435   7.043
  717    HG2  GLU  90           HG2      GLU  90  11.920   4.778   8.197
  718    HG3  GLU  90           HG1      GLU  90  12.110   6.276   7.307
  719    H    THR  91           HN       THR  91  13.472   3.811   4.992
  720    HA   THR  91           HA       THR  91  14.736   6.262   4.463
  721    HB   THR  91           HB       THR  91  16.166   4.393   4.867
  722    HG1  THR  91           HG1      THR  91  17.532   5.445   3.748
  723   HG21  THR  91          HG21      THR  91  14.801   2.626   3.815
  724   HG22  THR  91          HG22      THR  91  16.490   2.538   3.323
  725   HG23  THR  91          HG23      THR  91  15.292   3.219   2.226
  726    H    GLN  92           HN       GLN  92  12.557   4.510   2.543
  727    HA   GLN  92           HA       GLN  92  13.374   5.866   0.079
  728    HB2  GLN  92           HB2      GLN  92  11.733   3.361   0.401
  729    HB3  GLN  92           HB1      GLN  92  12.023   4.169  -1.132
  730    HG2  GLN  92           HG2      GLN  92  14.214   3.147   0.644
  731    HG3  GLN  92           HG1      GLN  92  13.487   2.203  -0.651
  732   HE21  GLN  92          HE21      GLN  92  14.051   2.609  -2.722
  733   HE22  GLN  92          HE22      GLN  92  15.297   3.717  -3.167
  734    H    LEU  93           HN       LEU  93  10.338   4.953   1.900
  735    HA   LEU  93           HA       LEU  93   8.362   5.896   2.066
  736    HB2  LEU  93           HB2      LEU  93   9.860   8.410   1.330
  737    HB3  LEU  93           HB1      LEU  93   8.183   8.400   1.834
  738    HG   LEU  93           HG       LEU  93  10.444   7.389   3.553
  739   HD11  LEU  93          HD11      LEU  93  10.193   9.470   4.784
  740   HD12  LEU  93          HD12      LEU  93   9.079  10.071   3.540
  741   HD13  LEU  93          HD13      LEU  93  10.766   9.702   3.137
  742   HD21  LEU  93          HD21      LEU  93   8.784   7.603   5.350
  743   HD22  LEU  93          HD22      LEU  93   8.274   6.446   4.124
  744   HD23  LEU  93          HD23      LEU  93   7.563   8.061   4.163
  745    H    GLU  94           HN       GLU  94   7.171   4.973   0.691
  746    HA   GLU  94           HA       GLU  94   6.586   3.978  -1.165
  747    HB2  GLU  94           HB2      GLU  94   5.364   6.340  -1.121
  748    HB3  GLU  94           HB1      GLU  94   6.238   6.536  -2.641
  749    HG2  GLU  94           HG2      GLU  94   4.214   4.418  -1.938
  750    HG3  GLU  94           HG1      GLU  94   4.128   5.626  -3.214
  751    H    HIS  95           HN       HIS  95   7.988   2.901  -2.427
  752    HA   HIS  95           HA       HIS  95  10.228   4.455  -3.340
  753    HB2  HIS  95           HB2      HIS  95  11.608   2.562  -3.365
  754    HB3  HIS  95           HB1      HIS  95  10.456   2.216  -2.110
  755    HD1  HIS  95           HD1      HIS  95  12.197   0.415  -4.387
  756    HD2  HIS  95           HD2      HIS  95   8.132   0.595  -3.602
  757    HE1  HIS  95           HE1      HIS  95  11.209  -1.634  -5.457
  758    HE2  HIS  95           HE2      HIS  95   8.795  -1.134  -5.398
  759    H    HIS  96           HN       HIS  96   9.554   5.595  -4.971
  760    HA   HIS  96           HA       HIS  96   8.477   4.208  -7.309
  761    HB2  HIS  96           HB2      HIS  96   9.353   7.127  -7.089
  762    HB3  HIS  96           HB1      HIS  96   8.453   6.436  -8.428
  763    HD1  HIS  96           HD1      HIS  96   8.063   8.075  -5.176
  764    HD2  HIS  96           HD2      HIS  96   5.677   5.932  -7.810
  765    HE1  HIS  96           HE1      HIS  96   5.707   8.466  -4.423
  766    HE2  HIS  96           HE2      HIS  96   4.272   7.224  -6.071
  767    H    HIS  97           HN       HIS  97  11.407   5.359  -6.091
  768    HA   HIS  97           HA       HIS  97  13.568   4.855  -6.641
  769    HB2  HIS  97           HB2      HIS  97  12.436   2.581  -6.322
  770    HB3  HIS  97           HB1      HIS  97  12.282   2.497  -8.060
  771    HD1  HIS  97           HD1      HIS  97  14.453   1.576  -5.292
  772    HD2  HIS  97           HD2      HIS  97  14.902   2.237  -9.380
  773    HE1  HIS  97           HE1      HIS  97  16.595   0.486  -5.920
  774    HE2  HIS  97           HE2      HIS  97  16.625   0.580  -8.418
  775    H    HIS  98           HN       HIS  98  13.547   6.783  -8.029
  776    HA   HIS  98           HA       HIS  98  12.440   6.830 -10.566
  777    HB2  HIS  98           HB2      HIS  98  13.525   8.944 -11.074
  778    HB3  HIS  98           HB1      HIS  98  12.928   8.939  -9.430
  779    HD1  HIS  98           HD1      HIS  98  15.990   9.352 -11.479
  780    HD2  HIS  98           HD2      HIS  98  14.989   9.084  -7.452
  781    HE1  HIS  98           HE1      HIS  98  17.977  10.184 -10.243
  782    HE2  HIS  98           HE2      HIS  98  17.472   9.722  -7.853
  783    H    HIS  99           HN       HIS  99  15.657   5.798  -9.839
  784    HA   HIS  99           HA       HIS  99  15.540   4.316 -12.247
  785    HB2  HIS  99           HB2      HIS  99  16.567   6.510 -13.067
  786    HB3  HIS  99           HB1      HIS  99  17.946   6.150 -12.025
  787    HD1  HIS  99           HD1      HIS  99  16.152   4.771 -15.092
  788    HD2  HIS  99           HD2      HIS  99  19.775   4.373 -13.084
  789    HE1  HIS  99           HE1      HIS  99  17.571   3.318 -16.544
  790    HE2  HIS  99           HE2      HIS  99  19.725   3.040 -15.305
  791    H    HIS 100           HN       HIS 100  17.859   5.467  -9.796
  792    HA   HIS 100           HA       HIS 100  17.908   2.715  -8.963
  793    HB2  HIS 100           HB2      HIS 100  20.342   2.733  -8.499
  794    HB3  HIS 100           HB1      HIS 100  20.044   3.055 -10.193
  795    HD1  HIS 100           HD1      HIS 100  21.679   4.398  -7.207
  796    HD2  HIS 100           HD2      HIS 100  20.605   5.780 -10.961
  797    HE1  HIS 100           HE1      HIS 100  23.047   6.432  -7.574
  798    HE2  HIS 100           HE2      HIS 100  22.626   7.031  -9.964
  Start of MODEL    2
    1    H1   GLY   2           HT1      GLY   2  -2.994  11.677   7.827
    2    H2   GLY   2           HT2      GLY   2  -3.690  10.285   8.465
    3    H3   GLY   2           HT3      GLY   2  -4.591  11.289   7.409
    4    HA2  GLY   2           HA1      GLY   2  -3.783   9.316   6.289
    5    HA3  GLY   2           HA2      GLY   2  -3.056  10.778   5.630
    6    H    ILE   3           HN       ILE   3  -1.848   8.289   5.307
    7    HA   ILE   3           HA       ILE   3   0.074   7.706   7.141
    8    HB   ILE   3           HB       ILE   3   0.555   7.804   4.104
    9   HG12  ILE   3          HG12      ILE   3   0.048   5.362   5.683
   10   HG13  ILE   3          HG11      ILE   3  -1.326   6.217   5.044
   11   HG21  ILE   3          HG21      ILE   3   2.681   7.703   5.286
   12   HG22  ILE   3          HG22      ILE   3   2.375   6.201   4.414
   13   HG23  ILE   3          HG23      ILE   3   2.144   6.266   6.159
   14   HD11  ILE   3          HD11      ILE   3   0.914   4.895   3.558
   15   HD12  ILE   3          HD12      ILE   3  -0.301   5.911   2.780
   16   HD13  ILE   3          HD13      ILE   3  -0.783   4.419   3.591
   17    H    LYS   4           HN       LYS   4   2.074   8.661   7.652
   18    HA   LYS   4           HA       LYS   4   1.627  11.471   7.713
   19    HB2  LYS   4           HB2      LYS   4   3.721   9.837   9.098
   20    HB3  LYS   4           HB1      LYS   4   3.492  11.565   9.352
   21    HG2  LYS   4           HG2      LYS   4   1.174  11.143  10.054
   22    HG3  LYS   4           HG1      LYS   4   1.424   9.418   9.817
   23    HD2  LYS   4           HD2      LYS   4   3.165   9.454  11.553
   24    HD3  LYS   4           HD1      LYS   4   2.870  11.180  11.795
   25    HE2  LYS   4           HE2      LYS   4   0.536  10.692  12.382
   26    HE3  LYS   4           HE1      LYS   4   0.847   8.972  12.165
   27    HZ1  LYS   4           HZ1      LYS   4   2.132  10.726  14.186
   28    HZ2  LYS   4           HZ2      LYS   4   2.415   9.061  13.997
   29    HZ3  LYS   4           HZ3      LYS   4   0.909   9.610  14.470
   30    H    GLN   5           HN       GLN   5   3.177   9.952   5.427
   31    HA   GLN   5           HA       GLN   5   5.249  11.977   5.022
   32    HB2  GLN   5           HB2      GLN   5   4.405   9.616   3.382
   33    HB3  GLN   5           HB1      GLN   5   5.701  10.721   2.961
   34    HG2  GLN   5           HG2      GLN   5   5.578   8.906   5.331
   35    HG3  GLN   5           HG1      GLN   5   6.522   8.759   3.835
   36   HE21  GLN   5          HE21      GLN   5   8.289  10.212   3.500
   37   HE22  GLN   5          HE22      GLN   5   8.948  11.108   4.802
   38    H    TYR   6           HN       TYR   6   2.069  11.036   4.017
   39    HA   TYR   6           HA       TYR   6   2.230  13.030   1.968
   40    HB2  TYR   6           HB2      TYR   6   0.705  10.459   2.033
   41    HB3  TYR   6           HB1      TYR   6   0.302  11.743   0.907
   42    HD1  TYR   6           HD1      TYR   6   2.274  12.607  -0.525
   43    HD2  TYR   6           HD2      TYR   6   2.218   8.813   1.412
   44    HE1  TYR   6           HE1      TYR   6   3.931  11.792  -2.126
   45    HE2  TYR   6           HE2      TYR   6   3.913   7.995  -0.217
   46    HH   TYR   6           HH       TYR   6   4.567   8.611  -2.594
   47    H    SER   7           HN       SER   7   0.815  14.679   2.265
   48    HA   SER   7           HA       SER   7  -1.096  14.721   4.409
   49    HB2  SER   7           HB2      SER   7   0.080  16.743   3.341
   50    HB3  SER   7           HB1      SER   7  -0.976  16.508   1.952
   51    HG   SER   7           HG       SER   7  -2.677  17.231   3.094
   52    H    GLN   8           HN       GLN   8  -3.454  15.071   3.965
   53    HA   GLN   8           HA       GLN   8  -4.356  12.746   2.817
   54    HB2  GLN   8           HB2      GLN   8  -5.442  14.203   4.595
   55    HB3  GLN   8           HB1      GLN   8  -6.098  15.144   3.258
   56    HG2  GLN   8           HG2      GLN   8  -7.759  13.549   3.876
   57    HG3  GLN   8           HG1      GLN   8  -6.999  13.063   2.349
   58   HE21  GLN   8          HE21      GLN   8  -7.628  10.911   2.670
   59   HE22  GLN   8          HE22      GLN   8  -6.806   9.897   3.824
   60    H    GLU   9           HN       GLU   9  -4.109  15.969   1.455
   61    HA   GLU   9           HA       GLU   9  -5.612  15.601  -0.865
   62    HB2  GLU   9           HB2      GLU   9  -3.121  17.299  -0.657
   63    HB3  GLU   9           HB1      GLU   9  -4.458  17.504  -1.768
   64    HG2  GLU   9           HG2      GLU   9  -4.849  19.196  -0.254
   65    HG3  GLU   9           HG1      GLU   9  -5.841  17.905   0.416
   66    H    GLU  10           HN       GLU  10  -2.273  14.888  -0.076
   67    HA   GLU  10           HA       GLU  10  -1.438  14.323  -2.741
   68    HB2  GLU  10           HB2      GLU  10  -0.224  13.482  -0.102
   69    HB3  GLU  10           HB1      GLU  10   0.563  13.381  -1.671
   70    HG2  GLU  10           HG2      GLU  10   0.538  15.826  -1.820
   71    HG3  GLU  10           HG1      GLU  10  -0.253  15.908  -0.248
   72    H    LEU  11           HN       LEU  11  -2.500  12.504   0.042
   73    HA   LEU  11           HA       LEU  11  -1.758  10.139  -0.791
   74    HB2  LEU  11           HB2      LEU  11  -3.729  11.046   1.102
   75    HB3  LEU  11           HB1      LEU  11  -3.961   9.372   0.760
   76    HG   LEU  11           HG       LEU  11  -1.527  10.755   1.949
   77   HD11  LEU  11          HD11      LEU  11  -2.097   9.487   3.933
   78   HD12  LEU  11          HD12      LEU  11  -3.476   8.778   3.091
   79   HD13  LEU  11          HD13      LEU  11  -3.441  10.510   3.426
   80   HD21  LEU  11          HD21      LEU  11  -0.771   8.870   0.567
   81   HD22  LEU  11          HD22      LEU  11  -1.913   7.809   1.385
   82   HD23  LEU  11          HD23      LEU  11  -0.568   8.520   2.278
   83    H    LYS  12           HN       LYS  12  -4.882  11.566  -1.004
   84    HA   LYS  12           HA       LYS  12  -5.990   9.308  -2.329
   85    HB2  LYS  12           HB2      LYS  12  -8.151  10.545  -2.353
   86    HB3  LYS  12           HB1      LYS  12  -7.416  10.294  -0.794
   87    HG2  LYS  12           HG2      LYS  12  -8.138  12.440  -0.609
   88    HG3  LYS  12           HG1      LYS  12  -6.474  12.620  -1.018
   89    HD2  LYS  12           HD2      LYS  12  -7.856  14.212  -2.343
   90    HD3  LYS  12           HD1      LYS  12  -6.922  13.099  -3.342
   91    HE2  LYS  12           HE2      LYS  12  -8.883  11.724  -3.692
   92    HE3  LYS  12           HE1      LYS  12  -9.842  12.766  -2.637
   93    HZ1  LYS  12           HZ1      LYS  12  -8.543  13.588  -5.181
   94    HZ2  LYS  12           HZ2      LYS  12  -9.584  14.535  -4.256
   95    HZ3  LYS  12           HZ3      LYS  12 -10.154  13.151  -5.023
   96    H    GLU  13           HN       GLU  13  -4.566  12.194  -3.596
   97    HA   GLU  13           HA       GLU  13  -5.719  11.798  -6.147
   98    HB2  GLU  13           HB2      GLU  13  -3.299  13.332  -5.218
   99    HB3  GLU  13           HB1      GLU  13  -3.819  13.276  -6.896
  100    HG2  GLU  13           HG2      GLU  13  -5.459  14.307  -4.598
  101    HG3  GLU  13           HG1      GLU  13  -4.575  15.284  -5.771
  102    H    MET  14           HN       MET  14  -3.284  10.241  -4.387
  103    HA   MET  14           HA       MET  14  -1.853   9.262  -6.691
  104    HB2  MET  14           HB2      MET  14  -1.805   8.223  -3.859
  105    HB3  MET  14           HB1      MET  14  -0.729   7.720  -5.144
  106    HG2  MET  14           HG2      MET  14   0.067  10.127  -5.206
  107    HG3  MET  14           HG1      MET  14  -0.846  10.347  -3.722
  108    HE1  MET  14           HE1      MET  14  -0.434   8.846  -1.506
  109    HE2  MET  14           HE2      MET  14   0.892   7.699  -1.340
  110    HE3  MET  14           HE3      MET  14  -0.448   7.343  -2.431
  111    H    ALA  15           HN       ALA  15  -1.712   6.945  -7.109
  112    HA   ALA  15           HA       ALA  15  -4.275   5.714  -7.489
  113    HB1  ALA  15           HB1      ALA  15  -2.921   3.770  -8.205
  114    HB2  ALA  15           HB2      ALA  15  -1.466   4.596  -7.648
  115    HB3  ALA  15           HB3      ALA  15  -2.395   5.259  -8.987
  116    H    LEU  16           HN       LEU  16  -5.274   4.153  -6.247
  117    HA   LEU  16           HA       LEU  16  -4.863   4.162  -3.523
  118    HB2  LEU  16           HB2      LEU  16  -6.241   2.020  -5.144
  119    HB3  LEU  16           HB1      LEU  16  -6.416   2.212  -3.411
  120    HG   LEU  16           HG       LEU  16  -7.345   4.151  -5.531
  121   HD11  LEU  16          HD11      LEU  16  -9.583   3.476  -4.824
  122   HD12  LEU  16          HD12      LEU  16  -8.876   2.293  -3.723
  123   HD13  LEU  16          HD13      LEU  16  -8.660   2.115  -5.463
  124   HD21  LEU  16          HD21      LEU  16  -7.673   4.222  -2.528
  125   HD22  LEU  16          HD22      LEU  16  -8.465   5.305  -3.670
  126   HD23  LEU  16          HD23      LEU  16  -6.711   5.337  -3.500
  127    H    VAL  17           HN       VAL  17  -3.443   2.079  -5.870
  128    HA   VAL  17           HA       VAL  17  -2.452   0.167  -4.034
  129    HB   VAL  17           HB       VAL  17  -0.980  -0.594  -5.794
  130   HG11  VAL  17          HG11      VAL  17  -3.316  -1.253  -5.884
  131   HG12  VAL  17          HG12      VAL  17  -2.606  -1.140  -7.488
  132   HG13  VAL  17          HG13      VAL  17  -3.677   0.140  -6.908
  133   HG21  VAL  17          HG21      VAL  17  -0.877   0.528  -7.976
  134   HG22  VAL  17          HG22      VAL  17  -0.220   1.536  -6.686
  135   HG23  VAL  17          HG23      VAL  17  -1.831   1.863  -7.328
  136    H    GLU  18           HN       GLU  18  -1.281   3.383  -4.942
  137    HA   GLU  18           HA       GLU  18   1.384   2.885  -4.047
  138    HB2  GLU  18           HB2      GLU  18  -0.038   5.440  -4.797
  139    HB3  GLU  18           HB1      GLU  18   1.701   5.240  -4.607
  140    HG2  GLU  18           HG2      GLU  18   0.047   3.746  -6.615
  141    HG3  GLU  18           HG1      GLU  18   0.902   5.242  -6.973
  142    H    ILE  19           HN       ILE  19  -1.634   4.241  -2.853
  143    HA   ILE  19           HA       ILE  19  -0.695   5.241  -0.367
  144    HB   ILE  19           HB       ILE  19  -3.322   3.826  -0.992
  145   HG12  ILE  19          HG12      ILE  19  -2.659   6.769  -1.265
  146   HG13  ILE  19          HG11      ILE  19  -2.918   5.642  -2.588
  147   HG21  ILE  19          HG21      ILE  19  -2.649   5.825   1.163
  148   HG22  ILE  19          HG22      ILE  19  -2.955   4.103   1.386
  149   HG23  ILE  19          HG23      ILE  19  -4.251   5.160   0.844
  150   HD11  ILE  19          HD11      ILE  19  -4.879   6.964  -2.302
  151   HD12  ILE  19          HD12      ILE  19  -4.911   6.611  -0.586
  152   HD13  ILE  19          HD13      ILE  19  -5.256   5.324  -1.747
  153    H    ALA  20           HN       ALA  20  -1.971   2.092  -1.375
  154    HA   ALA  20           HA       ALA  20  -1.588   0.764   1.040
  155    HB1  ALA  20           HB1      ALA  20  -2.953  -0.122  -0.791
  156    HB2  ALA  20           HB2      ALA  20  -1.769  -1.306  -0.235
  157    HB3  ALA  20           HB3      ALA  20  -1.491  -0.416  -1.731
  158    H    HIS  21           HN       HIS  21   0.604   1.270  -1.626
  159    HA   HIS  21           HA       HIS  21   2.775  -0.265  -1.023
  160    HB2  HIS  21           HB2      HIS  21   2.098   1.396  -2.934
  161    HB3  HIS  21           HB1      HIS  21   3.043   2.551  -2.012
  162    HD1  HIS  21           HD1      HIS  21   4.857   2.793  -3.830
  163    HD2  HIS  21           HD2      HIS  21   4.281  -1.162  -2.636
  164    HE1  HIS  21           HE1      HIS  21   6.746   1.534  -4.698
  165    HE2  HIS  21           HE2      HIS  21   5.628  -0.753  -4.710
  166    H    GLU  22           HN       GLU  22   2.308   3.151  -0.034
  167    HA   GLU  22           HA       GLU  22   4.422   3.257   1.888
  168    HB2  GLU  22           HB2      GLU  22   1.914   4.907   1.628
  169    HB3  GLU  22           HB1      GLU  22   3.048   5.131   2.945
  170    HG2  GLU  22           HG2      GLU  22   3.771   5.376   0.058
  171    HG3  GLU  22           HG1      GLU  22   3.213   6.700   1.061
  172    H    LEU  23           HN       LEU  23   1.061   2.365   2.162
  173    HA   LEU  23           HA       LEU  23   0.830   2.407   4.956
  174    HB2  LEU  23           HB2      LEU  23  -1.008   2.227   3.183
  175    HB3  LEU  23           HB1      LEU  23  -0.654   0.518   3.137
  176    HG   LEU  23           HG       LEU  23  -1.289   0.332   5.517
  177   HD11  LEU  23          HD11      LEU  23  -0.775   2.583   6.261
  178   HD12  LEU  23          HD12      LEU  23  -2.471   2.220   6.571
  179   HD13  LEU  23          HD13      LEU  23  -2.023   3.241   5.206
  180   HD21  LEU  23          HD21      LEU  23  -3.374   1.615   3.754
  181   HD22  LEU  23          HD22      LEU  23  -3.687   0.624   5.181
  182   HD23  LEU  23          HD23      LEU  23  -2.927  -0.090   3.760
  183    H    PHE  24           HN       PHE  24   1.723  -0.130   2.781
  184    HA   PHE  24           HA       PHE  24   2.201  -1.929   4.987
  185    HB2  PHE  24           HB2      PHE  24   2.747  -2.233   2.078
  186    HB3  PHE  24           HB1      PHE  24   3.426  -3.346   3.257
  187    HD1  PHE  24           HD1      PHE  24   0.352  -2.053   1.783
  188    HD2  PHE  24           HD2      PHE  24   2.151  -4.997   4.226
  189    HE1  PHE  24           HE1      PHE  24  -1.684  -3.384   1.663
  190    HE2  PHE  24           HE2      PHE  24   0.120  -6.338   4.125
  191    HZ   PHE  24           HZ       PHE  24  -1.813  -5.544   2.834
  192    H    GLU  25           HN       GLU  25   4.186   0.292   3.151
  193    HA   GLU  25           HA       GLU  25   6.637  -0.621   4.132
  194    HB2  GLU  25           HB2      GLU  25   6.363   0.905   2.181
  195    HB3  GLU  25           HB1      GLU  25   5.904   2.192   3.278
  196    HG2  GLU  25           HG2      GLU  25   8.221   2.422   2.544
  197    HG3  GLU  25           HG1      GLU  25   8.108   2.161   4.279
  198    H    GLU  26           HN       GLU  26   4.228   1.453   5.436
  199    HA   GLU  26           HA       GLU  26   5.789   2.223   7.729
  200    HB2  GLU  26           HB2      GLU  26   4.141   3.792   6.886
  201    HB3  GLU  26           HB1      GLU  26   2.864   2.610   7.045
  202    HG2  GLU  26           HG2      GLU  26   4.337   3.516   9.490
  203    HG3  GLU  26           HG1      GLU  26   3.127   4.570   8.768
  204    H    HIS  27           HN       HIS  27   3.194  -0.003   7.024
  205    HA   HIS  27           HA       HIS  27   2.762  -0.807   9.716
  206    HB2  HIS  27           HB2      HIS  27   1.992  -2.148   7.144
  207    HB3  HIS  27           HB1      HIS  27   1.596  -2.810   8.709
  208    HD1  HIS  27           HD1      HIS  27   0.944   0.419   9.635
  209    HD2  HIS  27           HD2      HIS  27  -0.741  -1.973   6.690
  210    HE1  HIS  27           HE1      HIS  27  -1.317   1.318   9.281
  211    HE2  HIS  27           HE2      HIS  27  -2.430  -0.394   7.785
  212    H    LYS  28           HN       LYS  28   4.585  -2.346   7.069
  213    HA   LYS  28           HA       LYS  28   6.046  -4.430   7.234
  214    HB2  LYS  28           HB2      LYS  28   6.744  -2.858   9.726
  215    HB3  LYS  28           HB1      LYS  28   7.679  -4.156   8.983
  216    HG2  LYS  28           HG2      LYS  28   7.148  -1.433   7.780
  217    HG3  LYS  28           HG1      LYS  28   8.689  -2.012   8.418
  218    HD2  LYS  28           HD2      LYS  28   8.890  -3.649   6.709
  219    HD3  LYS  28           HD1      LYS  28   7.227  -3.417   6.179
  220    HE2  LYS  28           HE2      LYS  28   8.569  -2.387   4.577
  221    HE3  LYS  28           HE1      LYS  28   7.885  -1.104   5.564
  222    HZ1  LYS  28           HZ1      LYS  28  10.092  -0.684   5.083
  223    HZ2  LYS  28           HZ2      LYS  28  10.638  -2.152   5.712
  224    HZ3  LYS  28           HZ3      LYS  28  10.055  -0.966   6.739
  225    H    LYS  29           HN       LYS  29   3.409  -4.583   7.970
  226    HA   LYS  29           HA       LYS  29   3.891  -7.308   8.816
  227    HB2  LYS  29           HB2      LYS  29   1.713  -7.165  10.167
  228    HB3  LYS  29           HB1      LYS  29   3.078  -6.305  10.843
  229    HG2  LYS  29           HG2      LYS  29   1.132  -4.960  11.118
  230    HG3  LYS  29           HG1      LYS  29   2.157  -4.196   9.909
  231    HD2  LYS  29           HD2      LYS  29  -0.070  -4.037   9.044
  232    HD3  LYS  29           HD1      LYS  29   0.711  -5.355   8.175
  233    HE2  LYS  29           HE2      LYS  29  -1.523  -6.099   8.824
  234    HE3  LYS  29           HE1      LYS  29  -0.334  -6.971   9.763
  235    HZ1  LYS  29           HZ1      LYS  29  -1.905  -4.640  10.748
  236    HZ2  LYS  29           HZ2      LYS  29  -0.797  -5.544  11.655
  237    HZ3  LYS  29           HZ3      LYS  29  -2.190  -6.265  11.070
  238    HA   PRO  30           HA       PRO  30   1.111  -8.051   5.322
  239    HB2  PRO  30           HB2      PRO  30   0.082 -10.496   6.392
  240    HB3  PRO  30           HB1      PRO  30   1.379 -10.286   5.214
  241    HG2  PRO  30           HG2      PRO  30   1.760 -11.279   7.746
  242    HG3  PRO  30           HG1      PRO  30   3.015 -10.465   6.798
  243    HD2  PRO  30           HD2      PRO  30   1.262  -9.367   8.960
  244    HD3  PRO  30           HD1      PRO  30   3.007  -9.130   8.699
  245    H    VAL  31           HN       VAL  31  -1.032  -7.522   4.741
  246    HA   VAL  31           HA       VAL  31  -2.972  -7.770   6.896
  247    HB   VAL  31           HB       VAL  31  -3.295  -5.721   4.711
  248   HG11  VAL  31          HG11      VAL  31  -4.387  -5.825   7.476
  249   HG12  VAL  31          HG12      VAL  31  -5.234  -6.141   5.957
  250   HG13  VAL  31          HG13      VAL  31  -4.657  -4.511   6.329
  251   HG21  VAL  31          HG21      VAL  31  -2.392  -3.949   6.013
  252   HG22  VAL  31          HG22      VAL  31  -1.145  -5.164   5.711
  253   HG23  VAL  31          HG23      VAL  31  -1.915  -5.047   7.305
  254    HA   PRO  32           HA       PRO  32  -5.351 -10.228   3.753
  255    HB2  PRO  32           HB2      PRO  32  -7.613  -9.182   5.360
  256    HB3  PRO  32           HB1      PRO  32  -7.224 -10.845   4.924
  257    HG2  PRO  32           HG2      PRO  32  -6.855 -10.045   7.411
  258    HG3  PRO  32           HG1      PRO  32  -5.638 -11.059   6.621
  259    HD2  PRO  32           HD2      PRO  32  -5.601  -8.108   7.106
  260    HD3  PRO  32           HD1      PRO  32  -4.300  -9.306   7.290
  261    H    PHE  33           HN       PHE  33  -6.763  -9.700   1.974
  262    HA   PHE  33           HA       PHE  33  -6.422  -7.215   0.944
  263    HB2  PHE  33           HB2      PHE  33  -6.817  -9.170  -0.424
  264    HB3  PHE  33           HB1      PHE  33  -8.437  -9.348   0.232
  265    HD1  PHE  33           HD1      PHE  33  -6.288  -7.137  -1.821
  266    HD2  PHE  33           HD2      PHE  33 -10.263  -8.228  -0.752
  267    HE1  PHE  33           HE1      PHE  33  -7.166  -5.739  -3.645
  268    HE2  PHE  33           HE2      PHE  33 -11.143  -6.830  -2.572
  269    HZ   PHE  33           HZ       PHE  33  -9.590  -5.582  -4.021
  270    H    GLN  34           HN       GLN  34  -9.519  -8.536   2.347
  271    HA   GLN  34           HA       GLN  34 -10.887  -6.181   1.919
  272    HB2  GLN  34           HB2      GLN  34 -12.608  -7.213   3.306
  273    HB3  GLN  34           HB1      GLN  34 -11.958  -8.379   2.166
  274    HG2  GLN  34           HG2      GLN  34 -11.878  -9.733   3.951
  275    HG3  GLN  34           HG1      GLN  34 -10.414  -8.845   4.348
  276   HE21  GLN  34          HE21      GLN  34 -12.113  -6.412   5.051
  277   HE22  GLN  34          HE22      GLN  34 -12.730  -6.764   6.595
  278    H    GLU  35           HN       GLU  35  -8.772  -7.140   4.441
  279    HA   GLU  35           HA       GLU  35  -9.721  -5.285   6.443
  280    HB2  GLU  35           HB2      GLU  35  -7.259  -6.981   6.111
  281    HB3  GLU  35           HB1      GLU  35  -7.458  -5.889   7.475
  282    HG2  GLU  35           HG2      GLU  35  -9.488  -7.987   6.822
  283    HG3  GLU  35           HG1      GLU  35  -8.068  -8.337   7.810
  284    H    LEU  36           HN       LEU  36  -7.029  -5.595   4.230
  285    HA   LEU  36           HA       LEU  36  -5.767  -3.136   4.732
  286    HB2  LEU  36           HB2      LEU  36  -4.570  -4.682   3.481
  287    HB3  LEU  36           HB1      LEU  36  -5.868  -5.021   2.382
  288    HG   LEU  36           HG       LEU  36  -5.530  -2.698   1.460
  289   HD11  LEU  36          HD11      LEU  36  -3.374  -1.625   1.884
  290   HD12  LEU  36          HD12      LEU  36  -3.067  -2.792   3.175
  291   HD13  LEU  36          HD13      LEU  36  -4.420  -1.669   3.299
  292   HD21  LEU  36          HD21      LEU  36  -4.713  -4.619   0.269
  293   HD22  LEU  36          HD22      LEU  36  -3.284  -4.693   1.290
  294   HD23  LEU  36          HD23      LEU  36  -3.500  -3.336   0.182
  295    H    LEU  37           HN       LEU  37  -8.408  -4.082   2.511
  296    HA   LEU  37           HA       LEU  37  -8.770  -1.649   1.250
  297    HB2  LEU  37           HB2      LEU  37  -9.716  -3.720   0.450
  298    HB3  LEU  37           HB1      LEU  37 -10.693  -3.868   1.895
  299    HG   LEU  37           HG       LEU  37 -11.960  -1.863   1.219
  300   HD11  LEU  37          HD11      LEU  37 -11.728  -0.997  -1.045
  301   HD12  LEU  37          HD12      LEU  37 -10.338  -2.052  -1.312
  302   HD13  LEU  37          HD13      LEU  37 -10.253  -0.762  -0.110
  303   HD21  LEU  37          HD21      LEU  37 -12.780  -4.088   0.675
  304   HD22  LEU  37          HD22      LEU  37 -11.862  -4.075  -0.830
  305   HD23  LEU  37          HD23      LEU  37 -13.196  -2.943  -0.600
  306    H    ASN  38           HN       ASN  38 -10.104  -2.972   4.217
  307    HA   ASN  38           HA       ASN  38 -12.035  -0.946   4.744
  308    HB2  ASN  38           HB2      ASN  38 -11.952  -3.289   5.746
  309    HB3  ASN  38           HB1      ASN  38 -10.650  -2.708   6.775
  310   HD21  ASN  38          HD21      ASN  38 -11.731  -2.946   8.669
  311   HD22  ASN  38          HD22      ASN  38 -13.090  -1.994   9.117
  312    H    GLU  39           HN       GLU  39  -8.679  -1.444   5.618
  313    HA   GLU  39           HA       GLU  39  -8.576   0.800   7.348
  314    HB2  GLU  39           HB2      GLU  39  -7.062  -1.089   7.645
  315    HB3  GLU  39           HB1      GLU  39  -6.341  -0.782   6.075
  316    HG2  GLU  39           HG2      GLU  39  -5.370   1.263   6.842
  317    HG3  GLU  39           HG1      GLU  39  -6.302   1.191   8.329
  318    H    ILE  40           HN       ILE  40  -7.645   0.269   3.956
  319    HA   ILE  40           HA       ILE  40  -6.676   2.816   3.429
  320    HB   ILE  40           HB       ILE  40  -8.201   0.940   1.589
  321   HG12  ILE  40          HG12      ILE  40  -5.242   1.546   1.825
  322   HG13  ILE  40          HG11      ILE  40  -6.045   0.103   2.434
  323   HG21  ILE  40          HG21      ILE  40  -8.408   3.209   0.704
  324   HG22  ILE  40          HG22      ILE  40  -7.328   2.252  -0.309
  325   HG23  ILE  40          HG23      ILE  40  -6.662   3.429   0.820
  326   HD11  ILE  40          HD11      ILE  40  -6.627  -0.528   0.145
  327   HD12  ILE  40          HD12      ILE  40  -4.885  -0.350   0.353
  328   HD13  ILE  40          HD13      ILE  40  -5.813   0.918  -0.455
  329    H    ALA  41           HN       ALA  41  -9.933   1.514   3.449
  330    HA   ALA  41           HA       ALA  41 -11.424   3.658   2.492
  331    HB1  ALA  41           HB1      ALA  41 -12.263   1.726   4.647
  332    HB2  ALA  41           HB2      ALA  41 -12.339   1.402   2.915
  333    HB3  ALA  41           HB3      ALA  41 -13.326   2.683   3.616
  334    H    SER  42           HN       SER  42 -10.596   2.857   5.664
  335    HA   SER  42           HA       SER  42 -11.629   5.194   6.975
  336    HB2  SER  42           HB2      SER  42 -11.368   3.019   8.154
  337    HB3  SER  42           HB1      SER  42  -9.625   3.126   7.944
  338    HG   SER  42           HG       SER  42 -11.318   4.548   9.662
  339    H    LEU  43           HN       LEU  43  -8.418   4.427   5.694
  340    HA   LEU  43           HA       LEU  43  -7.087   6.583   6.794
  341    HB2  LEU  43           HB2      LEU  43  -6.077   4.568   5.819
  342    HB3  LEU  43           HB1      LEU  43  -6.640   5.047   4.239
  343    HG   LEU  43           HG       LEU  43  -5.137   6.991   4.316
  344   HD11  LEU  43          HD11      LEU  43  -4.178   5.750   6.891
  345   HD12  LEU  43          HD12      LEU  43  -5.007   7.301   6.723
  346   HD13  LEU  43          HD13      LEU  43  -3.396   7.080   6.040
  347   HD21  LEU  43          HD21      LEU  43  -3.832   4.334   4.816
  348   HD22  LEU  43          HD22      LEU  43  -3.084   5.724   4.019
  349   HD23  LEU  43          HD23      LEU  43  -4.461   4.914   3.276
  350    H    LEU  44           HN       LEU  44  -9.057   6.246   3.929
  351    HA   LEU  44           HA       LEU  44  -8.401   8.957   3.114
  352    HB2  LEU  44           HB2      LEU  44  -9.848   6.724   1.754
  353    HB3  LEU  44           HB1      LEU  44 -10.040   8.365   1.179
  354    HG   LEU  44           HG       LEU  44  -7.598   8.469   0.759
  355   HD11  LEU  44          HD11      LEU  44  -6.814   6.865   2.384
  356   HD12  LEU  44          HD12      LEU  44  -6.273   6.412   0.765
  357   HD13  LEU  44          HD13      LEU  44  -7.617   5.558   1.519
  358   HD21  LEU  44          HD21      LEU  44  -9.036   6.180  -0.564
  359   HD22  LEU  44          HD22      LEU  44  -7.595   6.983  -1.183
  360   HD23  LEU  44          HD23      LEU  44  -9.107   7.878  -1.035
  361    H    GLY  45           HN       GLY  45 -10.733   7.472   5.024
  362    HA2  GLY  45           HA2      GLY  45 -12.541   8.389   6.103
  363    HA3  GLY  45           HA1      GLY  45 -12.225   9.908   5.272
  364    H    VAL  46           HN       VAL  46 -12.632   6.889   3.592
  365    HA   VAL  46           HA       VAL  46 -15.223   7.859   2.606
  366    HB   VAL  46           HB       VAL  46 -14.714   6.969   0.372
  367   HG11  VAL  46          HG11      VAL  46 -12.635   8.922   1.315
  368   HG12  VAL  46          HG12      VAL  46 -14.268   9.318   0.787
  369   HG13  VAL  46          HG13      VAL  46 -13.103   8.657  -0.363
  370   HG21  VAL  46          HG21      VAL  46 -11.942   6.454   1.449
  371   HG22  VAL  46          HG22      VAL  46 -12.418   6.316  -0.244
  372   HG23  VAL  46          HG23      VAL  46 -13.118   5.232   0.959
  373    H    LYS  47           HN       LYS  47 -16.639   6.191   1.894
  374    HA   LYS  47           HA       LYS  47 -16.158   3.703   3.246
  375    HB2  LYS  47           HB2      LYS  47 -18.491   4.695   1.596
  376    HB3  LYS  47           HB1      LYS  47 -18.426   3.093   2.320
  377    HG2  LYS  47           HG2      LYS  47 -18.315   4.069   4.526
  378    HG3  LYS  47           HG1      LYS  47 -18.278   5.690   3.833
  379    HD2  LYS  47           HD2      LYS  47 -20.495   5.334   2.885
  380    HD3  LYS  47           HD1      LYS  47 -20.532   3.703   3.559
  381    HE2  LYS  47           HE2      LYS  47 -20.395   4.603   5.807
  382    HE3  LYS  47           HE1      LYS  47 -20.269   6.240   5.166
  383    HZ1  LYS  47           HZ1      LYS  47 -22.496   5.777   5.904
  384    HZ2  LYS  47           HZ2      LYS  47 -22.628   4.447   4.890
  385    HZ3  LYS  47           HZ3      LYS  47 -22.477   5.998   4.239
  386    H    LYS  48           HN       LYS  48 -16.050   1.694   2.157
  387    HA   LYS  48           HA       LYS  48 -14.228   1.824   0.033
  388    HB2  LYS  48           HB2      LYS  48 -14.278  -0.629   0.179
  389    HB3  LYS  48           HB1      LYS  48 -14.103   0.137   1.749
  390    HG2  LYS  48           HG2      LYS  48 -16.688  -0.115   1.870
  391    HG3  LYS  48           HG1      LYS  48 -16.452  -1.303   0.597
  392    HD2  LYS  48           HD2      LYS  48 -16.520  -2.393   2.732
  393    HD3  LYS  48           HD1      LYS  48 -14.884  -2.516   2.071
  394    HE2  LYS  48           HE2      LYS  48 -14.080  -0.808   3.536
  395    HE3  LYS  48           HE1      LYS  48 -15.722  -0.367   4.010
  396    HZ1  LYS  48           HZ1      LYS  48 -14.567  -1.648   5.704
  397    HZ2  LYS  48           HZ2      LYS  48 -14.411  -2.961   4.633
  398    HZ3  LYS  48           HZ3      LYS  48 -15.916  -2.474   5.140
  399    H    GLU  49           HN       GLU  49 -17.646   1.409   0.254
  400    HA   GLU  49           HA       GLU  49 -18.127   0.235  -2.265
  401    HB2  GLU  49           HB2      GLU  49 -20.055   1.937  -0.683
  402    HB3  GLU  49           HB1      GLU  49 -20.443   0.709  -1.873
  403    HG2  GLU  49           HG2      GLU  49 -20.868  -0.500   0.019
  404    HG3  GLU  49           HG1      GLU  49 -19.147  -0.824  -0.125
  405    H    GLU  50           HN       GLU  50 -17.426   3.504  -1.202
  406    HA   GLU  50           HA       GLU  50 -18.659   4.875  -3.379
  407    HB2  GLU  50           HB2      GLU  50 -16.537   5.752  -1.411
  408    HB3  GLU  50           HB1      GLU  50 -17.419   6.811  -2.498
  409    HG2  GLU  50           HG2      GLU  50 -18.626   5.168  -0.302
  410    HG3  GLU  50           HG1      GLU  50 -18.266   6.899  -0.206
  411    H    LEU  51           HN       LEU  51 -15.718   3.239  -2.736
  412    HA   LEU  51           HA       LEU  51 -14.128   4.472  -4.746
  413    HB2  LEU  51           HB2      LEU  51 -13.887   1.750  -3.449
  414    HB3  LEU  51           HB1      LEU  51 -12.658   2.475  -4.464
  415    HG   LEU  51           HG       LEU  51 -13.567   3.539  -1.784
  416   HD11  LEU  51          HD11      LEU  51 -11.026   2.134  -2.579
  417   HD12  LEU  51          HD12      LEU  51 -12.304   1.481  -1.554
  418   HD13  LEU  51          HD13      LEU  51 -11.352   2.859  -1.006
  419   HD21  LEU  51          HD21      LEU  51 -11.364   4.469  -3.632
  420   HD22  LEU  51          HD22      LEU  51 -11.634   5.050  -1.993
  421   HD23  LEU  51          HD23      LEU  51 -12.843   5.350  -3.238
  422    H    GLY  52           HN       GLY  52 -15.973   1.403  -4.576
  423    HA2  GLY  52           HA2      GLY  52 -17.297   0.425  -6.130
  424    HA3  GLY  52           HA1      GLY  52 -17.288   1.938  -7.026
  425    H    ASP  53           HN       ASP  53 -16.580   1.603  -9.082
  426    HA   ASP  53           HA       ASP  53 -15.176  -0.367 -10.124
  427    HB2  ASP  53           HB2      ASP  53 -14.628   0.959 -12.014
  428    HB3  ASP  53           HB1      ASP  53 -16.150   1.568 -11.391
  429    H    ARG  54           HN       ARG  54 -13.692   1.868  -7.978
  430    HA   ARG  54           HA       ARG  54 -11.054   1.732  -9.129
  431    HB2  ARG  54           HB2      ARG  54 -11.780   2.634  -6.336
  432    HB3  ARG  54           HB1      ARG  54 -10.272   2.939  -7.171
  433    HG2  ARG  54           HG2      ARG  54 -12.971   4.164  -7.664
  434    HG3  ARG  54           HG1      ARG  54 -11.471   4.965  -7.211
  435    HD2  ARG  54           HD2      ARG  54 -12.123   3.669  -9.845
  436    HD3  ARG  54           HD1      ARG  54 -11.990   5.393  -9.534
  437    HE   ARG  54           HE       ARG  54  -9.562   4.666  -8.895
  438   HH11  ARG  54          HH11      ARG  54 -11.563   3.447 -11.571
  439   HH12  ARG  54          HH12      ARG  54 -10.253   3.247 -12.636
  440   HH21  ARG  54          HH21      ARG  54  -7.743   4.345 -10.376
  441   HH22  ARG  54          HH22      ARG  54  -8.034   3.809 -11.953
  442    H    ILE  55           HN       ILE  55 -12.912  -0.247  -7.218
  443    HA   ILE  55           HA       ILE  55 -10.857  -1.465  -5.598
  444    HB   ILE  55           HB       ILE  55 -13.517  -2.703  -6.398
  445   HG12  ILE  55          HG12      ILE  55 -13.882  -0.564  -5.249
  446   HG13  ILE  55          HG11      ILE  55 -14.378  -1.909  -4.231
  447   HG21  ILE  55          HG21      ILE  55 -11.922  -4.346  -5.544
  448   HG22  ILE  55          HG22      ILE  55 -13.245  -4.109  -4.403
  449   HG23  ILE  55          HG23      ILE  55 -11.676  -3.366  -4.096
  450   HD11  ILE  55          HD11      ILE  55 -13.245  -0.247  -2.920
  451   HD12  ILE  55          HD12      ILE  55 -11.848  -0.303  -3.993
  452   HD13  ILE  55          HD13      ILE  55 -12.257  -1.706  -3.002
  453    H    ALA  56           HN       ALA  56 -12.366  -2.268  -8.645
  454    HA   ALA  56           HA       ALA  56 -11.015  -4.713  -9.075
  455    HB1  ALA  56           HB1      ALA  56 -13.109  -4.096 -10.214
  456    HB2  ALA  56           HB2      ALA  56 -11.839  -4.533 -11.356
  457    HB3  ALA  56           HB3      ALA  56 -12.242  -2.838 -11.095
  458    H    GLN  57           HN       GLN  57 -10.378  -1.375  -9.932
  459    HA   GLN  57           HA       GLN  57  -8.133  -1.895 -11.571
  460    HB2  GLN  57           HB2      GLN  57  -9.348   0.272 -11.585
  461    HB3  GLN  57           HB1      GLN  57  -8.758   0.593  -9.961
  462    HG2  GLN  57           HG2      GLN  57  -7.490   1.808 -11.673
  463    HG3  GLN  57           HG1      GLN  57  -6.482   0.686 -10.757
  464   HE21  GLN  57          HE21      GLN  57  -5.658  -1.130 -11.782
  465   HE22  GLN  57          HE22      GLN  57  -5.643  -1.308 -13.489
  466    H    PHE  58           HN       PHE  58  -8.479  -0.999  -8.157
  467    HA   PHE  58           HA       PHE  58  -5.823  -1.038  -7.373
  468    HB2  PHE  58           HB2      PHE  58  -7.565  -0.304  -5.828
  469    HB3  PHE  58           HB1      PHE  58  -8.285  -1.910  -5.823
  470    HD1  PHE  58           HD2      PHE  58  -7.137  -3.771  -4.673
  471    HD2  PHE  58           HD1      PHE  58  -5.676   0.213  -4.442
  472    HE1  PHE  58           HE2      PHE  58  -5.742  -4.413  -2.789
  473    HE2  PHE  58           HE1      PHE  58  -4.292  -0.404  -2.523
  474    HZ   PHE  58           HZ       PHE  58  -4.320  -2.710  -1.675
  475    H    TYR  59           HN       TYR  59  -8.127  -3.718  -7.404
  476    HA   TYR  59           HA       TYR  59  -6.423  -5.721  -6.442
  477    HB2  TYR  59           HB2      TYR  59  -8.929  -5.854  -6.692
  478    HB3  TYR  59           HB1      TYR  59  -8.682  -6.099  -8.414
  479    HD1  TYR  59           HD1      TYR  59  -8.150  -7.563  -5.076
  480    HD2  TYR  59           HD2      TYR  59  -8.093  -8.278  -9.265
  481    HE1  TYR  59           HE1      TYR  59  -8.000  -9.973  -4.649
  482    HE2  TYR  59           HE2      TYR  59  -7.941 -10.700  -8.848
  483    HH   TYR  59           HH       TYR  59  -8.550 -12.036  -5.802
  484    H    THR  60           HN       THR  60  -7.180  -4.816  -9.790
  485    HA   THR  60           HA       THR  60  -5.499  -6.755 -11.029
  486    HB   THR  60           HB       THR  60  -6.226  -4.008 -12.098
  487    HG1  THR  60           HG1      THR  60  -8.150  -5.070 -11.553
  488   HG21  THR  60          HG21      THR  60  -5.623  -6.594 -13.538
  489   HG22  THR  60          HG22      THR  60  -4.496  -5.252 -13.368
  490   HG23  THR  60          HG23      THR  60  -5.981  -5.043 -14.299
  491    H    ASP  61           HN       ASP  61  -4.752  -3.445 -10.042
  492    HA   ASP  61           HA       ASP  61  -2.138  -3.676 -11.187
  493    HB2  ASP  61           HB2      ASP  61  -3.444  -1.570 -11.130
  494    HB3  ASP  61           HB1      ASP  61  -3.162  -1.488  -9.397
  495    H    LEU  62           HN       LEU  62  -3.396  -3.752  -7.835
  496    HA   LEU  62           HA       LEU  62  -0.850  -3.592  -6.500
  497    HB2  LEU  62           HB2      LEU  62  -3.174  -3.386  -5.416
  498    HB3  LEU  62           HB1      LEU  62  -3.230  -5.132  -5.518
  499    HG   LEU  62           HG       LEU  62  -0.959  -5.003  -4.284
  500   HD11  LEU  62          HD11      LEU  62  -2.155  -2.356  -3.562
  501   HD12  LEU  62          HD12      LEU  62  -0.654  -2.644  -4.443
  502   HD13  LEU  62          HD13      LEU  62  -0.790  -3.124  -2.752
  503   HD21  LEU  62          HD21      LEU  62  -3.577  -4.462  -2.889
  504   HD22  LEU  62          HD22      LEU  62  -2.122  -5.095  -2.121
  505   HD23  LEU  62          HD23      LEU  62  -2.952  -6.041  -3.358
  506    H    ASN  63           HN       ASN  63  -2.667  -6.208  -7.808
  507    HA   ASN  63           HA       ASN  63  -1.215  -8.219  -6.480
  508    HB2  ASN  63           HB2      ASN  63  -3.081  -8.311  -8.846
  509    HB3  ASN  63           HB1      ASN  63  -2.316  -9.751  -8.203
  510   HD21  ASN  63          HD21      ASN  63  -3.558  -7.077  -6.043
  511   HD22  ASN  63          HD22      ASN  63  -4.815  -8.070  -5.433
  512    H    ILE  64           HN       ILE  64  -0.387  -6.306  -9.019
  513    HA   ILE  64           HA       ILE  64   1.778  -8.183  -9.828
  514    HB   ILE  64           HB       ILE  64   1.949  -7.054 -12.014
  515   HG12  ILE  64          HG12      ILE  64  -0.563  -5.569 -11.179
  516   HG13  ILE  64          HG11      ILE  64   1.028  -4.850 -11.365
  517   HG21  ILE  64          HG21      ILE  64   0.631  -9.071 -11.854
  518   HG22  ILE  64          HG22      ILE  64  -0.104  -7.968 -13.020
  519   HG23  ILE  64          HG23      ILE  64  -0.792  -8.135 -11.403
  520   HD11  ILE  64          HD11      ILE  64  -0.625  -6.078 -13.565
  521   HD12  ILE  64          HD12      ILE  64   0.971  -5.360 -13.760
  522   HD13  ILE  64          HD13      ILE  64  -0.396  -4.355 -13.270
  523    H    ASP  65           HN       ASP  65   1.394  -5.648  -7.877
  524    HA   ASP  65           HA       ASP  65   3.315  -3.759  -8.690
  525    HB2  ASP  65           HB2      ASP  65   1.568  -3.314  -6.976
  526    HB3  ASP  65           HB1      ASP  65   2.426  -4.365  -5.860
  527    H    GLY  66           HN       GLY  66   5.386  -3.368  -8.123
  528    HA2  GLY  66           HA2      GLY  66   7.422  -5.215  -8.004
  529    HA3  GLY  66           HA1      GLY  66   7.422  -3.580  -7.311
  530    H    ARG  67           HN       ARG  67   5.573  -3.883  -5.322
  531    HA   ARG  67           HA       ARG  67   7.384  -5.460  -3.723
  532    HB2  ARG  67           HB2      ARG  67   6.594  -2.642  -3.091
  533    HB3  ARG  67           HB1      ARG  67   7.322  -3.724  -1.908
  534    HG2  ARG  67           HG2      ARG  67   9.139  -2.475  -2.765
  535    HG3  ARG  67           HG1      ARG  67   9.245  -4.023  -3.598
  536    HD2  ARG  67           HD2      ARG  67   7.880  -2.881  -5.456
  537    HD3  ARG  67           HD1      ARG  67   8.290  -1.368  -4.657
  538    HE   ARG  67           HE       ARG  67  10.695  -2.581  -5.010
  539   HH11  ARG  67          HH11      ARG  67   8.052  -1.704  -7.318
  540   HH12  ARG  67          HH12      ARG  67   9.107  -1.708  -8.633
  541   HH21  ARG  67          HH21      ARG  67  12.055  -2.529  -6.885
  542   HH22  ARG  67          HH22      ARG  67  11.345  -2.159  -8.401
  543    H    PHE  68           HN       PHE  68   4.705  -6.288  -4.495
  544    HA   PHE  68           HA       PHE  68   3.703  -6.757  -1.763
  545    HB2  PHE  68           HB2      PHE  68   2.098  -6.184  -4.222
  546    HB3  PHE  68           HB1      PHE  68   1.409  -6.979  -2.818
  547    HD1  PHE  68           HD1      PHE  68   3.092  -4.000  -3.961
  548    HD2  PHE  68           HD2      PHE  68   0.693  -5.782  -1.011
  549    HE1  PHE  68           HE1      PHE  68   2.553  -1.736  -3.030
  550    HE2  PHE  68           HE2      PHE  68   0.190  -3.596  -0.031
  551    HZ   PHE  68           HZ       PHE  68   1.120  -1.564  -1.041
  552    H    LEU  69           HN       LEU  69   3.870  -8.847  -1.279
  553    HA   LEU  69           HA       LEU  69   3.184 -10.759  -3.399
  554    HB2  LEU  69           HB2      LEU  69   4.679 -12.393  -2.597
  555    HB3  LEU  69           HB1      LEU  69   5.606 -10.921  -2.658
  556    HG   LEU  69           HG       LEU  69   4.467 -12.127  -0.124
  557   HD11  LEU  69          HD11      LEU  69   6.076 -13.564  -1.153
  558   HD12  LEU  69          HD12      LEU  69   6.767 -12.829   0.306
  559   HD13  LEU  69          HD13      LEU  69   7.215 -12.229  -1.301
  560   HD21  LEU  69          HD21      LEU  69   6.523  -9.960  -0.542
  561   HD22  LEU  69          HD22      LEU  69   6.047 -10.632   1.017
  562   HD23  LEU  69          HD23      LEU  69   4.885  -9.707   0.059
  563    H    ALA  70           HN       ALA  70   1.662 -12.292  -2.862
  564    HA   ALA  70           HA       ALA  70   0.310 -11.855  -0.274
  565    HB1  ALA  70           HB1      ALA  70  -1.516 -13.197  -1.216
  566    HB2  ALA  70           HB2      ALA  70  -0.554 -13.538  -2.655
  567    HB3  ALA  70           HB3      ALA  70  -1.129 -11.899  -2.345
  568    H    LEU  71           HN       LEU  71   0.257 -13.090   1.245
  569    HA   LEU  71           HA       LEU  71   2.458 -14.957   1.332
  570    HB2  LEU  71           HB2      LEU  71   0.607 -14.020   3.513
  571    HB3  LEU  71           HB1      LEU  71   1.790 -15.272   3.783
  572    HG   LEU  71           HG       LEU  71   3.578 -13.612   3.156
  573   HD11  LEU  71          HD11      LEU  71   2.251 -12.037   1.885
  574   HD12  LEU  71          HD12      LEU  71   3.045 -11.245   3.248
  575   HD13  LEU  71          HD13      LEU  71   1.326 -11.628   3.331
  576   HD21  LEU  71          HD21      LEU  71   1.820 -12.924   5.488
  577   HD22  LEU  71          HD22      LEU  71   3.503 -12.442   5.290
  578   HD23  LEU  71          HD23      LEU  71   3.090 -14.150   5.468
  579    H    SER  72           HN       SER  72  -0.657 -15.631   2.885
  580    HA   SER  72           HA       SER  72  -0.312 -18.364   1.928
  581    HB2  SER  72           HB2      SER  72  -2.382 -17.453   3.929
  582    HB3  SER  72           HB1      SER  72  -1.671 -19.044   3.717
  583    HG   SER  72           HG       SER  72  -0.550 -18.285   5.385
  584    H    ASP  73           HN       ASP  73  -3.108 -16.041   2.317
  585    HA   ASP  73           HA       ASP  73  -3.835 -16.745  -0.411
  586    HB2  ASP  73           HB2      ASP  73  -4.919 -18.516   0.909
  587    HB3  ASP  73           HB1      ASP  73  -5.693 -17.289   1.904
  588    H    GLN  74           HN       GLN  74  -4.866 -15.237   2.533
  589    HA   GLN  74           HA       GLN  74  -6.339 -13.322   0.966
  590    HB2  GLN  74           HB2      GLN  74  -7.322 -12.635   3.178
  591    HB3  GLN  74           HB1      GLN  74  -7.710 -14.244   2.582
  592    HG2  GLN  74           HG2      GLN  74  -6.117 -15.224   4.064
  593    HG3  GLN  74           HG1      GLN  74  -5.584 -13.634   4.615
  594   HE21  GLN  74          HE21      GLN  74  -6.867 -12.524   6.030
  595   HE22  GLN  74          HE22      GLN  74  -8.170 -13.290   6.843
  596    H    THR  75           HN       THR  75  -3.623 -13.299   3.240
  597    HA   THR  75           HA       THR  75  -3.481 -10.490   3.559
  598    HB   THR  75           HB       THR  75  -1.182 -11.273   4.443
  599    HG1  THR  75           HG1      THR  75  -1.792 -13.648   5.177
  600   HG21  THR  75          HG21      THR  75  -2.189 -11.956   6.569
  601   HG22  THR  75          HG22      THR  75  -3.746 -12.174   5.764
  602   HG23  THR  75          HG23      THR  75  -3.026 -10.567   5.883
  603    H    TRP  76           HN       TRP  76  -1.979  -9.184   2.771
  604    HA   TRP  76           HA       TRP  76  -0.249  -9.953   0.532
  605    HB2  TRP  76           HB2      TRP  76  -1.779  -7.463   1.216
  606    HB3  TRP  76           HB1      TRP  76  -0.410  -7.459   0.104
  607    HD1  TRP  76           HD1      TRP  76  -4.052  -8.513   0.335
  608    HE1  TRP  76           HE1      TRP  76  -4.782  -9.375  -1.985
  609    HE3  TRP  76           HE3      TRP  76   0.478  -8.554  -1.983
  610    HZ2  TRP  76           HZ2      TRP  76  -3.589  -9.994  -4.436
  611    HZ3  TRP  76           HZ3      TRP  76   0.597  -9.269  -4.334
  612    HH2  TRP  76           HH2      TRP  76  -1.397  -9.992  -5.521
  613    H    GLY  77           HN       GLY  77   1.840  -9.140   0.723
  614    HA2  GLY  77           HA2      GLY  77   2.400  -7.647   3.175
  615    HA3  GLY  77           HA1      GLY  77   3.299  -9.106   2.767
  616    H    LEU  78           HN       LEU  78   4.036  -6.250   3.103
  617    HA   LEU  78           HA       LEU  78   4.989  -5.299   0.596
  618    HB2  LEU  78           HB2      LEU  78   4.947  -4.260   3.117
  619    HB3  LEU  78           HB1      LEU  78   6.557  -4.852   3.074
  620    HG   LEU  78           HG       LEU  78   6.356  -2.404   2.536
  621   HD11  LEU  78          HD11      LEU  78   7.600  -4.072   0.379
  622   HD12  LEU  78          HD12      LEU  78   8.320  -3.696   1.949
  623   HD13  LEU  78          HD13      LEU  78   7.979  -2.400   0.802
  624   HD21  LEU  78          HD21      LEU  78   4.340  -2.544   1.133
  625   HD22  LEU  78          HD22      LEU  78   5.275  -3.386  -0.105
  626   HD23  LEU  78          HD23      LEU  78   5.674  -1.729   0.333
  627    H    ARG  79           HN       ARG  79   6.483  -6.140  -0.613
  628    HA   ARG  79           HA       ARG  79   7.860  -8.550  -0.081
  629    HB2  ARG  79           HB2      ARG  79   8.006  -6.550  -2.242
  630    HB3  ARG  79           HB1      ARG  79   9.138  -7.901  -2.225
  631    HG2  ARG  79           HG2      ARG  79   7.324  -9.465  -2.433
  632    HG3  ARG  79           HG1      ARG  79   6.124  -8.173  -2.228
  633    HD2  ARG  79           HD2      ARG  79   6.765  -7.144  -4.201
  634    HD3  ARG  79           HD1      ARG  79   8.144  -8.261  -4.489
  635    HE   ARG  79           HE       ARG  79   5.464  -9.334  -4.391
  636   HH11  ARG  79          HH11      ARG  79   8.141  -8.235  -6.443
  637   HH12  ARG  79          HH12      ARG  79   7.285  -8.451  -7.896
  638   HH21  ARG  79          HH21      ARG  79   4.297  -9.614  -6.387
  639   HH22  ARG  79          HH22      ARG  79   5.048  -9.245  -7.870
  640    H    SER  80           HN       SER  80   8.823  -5.679   1.238
  641    HA   SER  80           HA       SER  80  11.632  -6.132   0.728
  642    HB2  SER  80           HB2      SER  80  10.304  -3.930   2.320
  643    HB3  SER  80           HB1      SER  80  12.027  -4.029   1.953
  644    HG   SER  80           HG       SER  80  11.225  -4.303  -0.288
  645    H    TRP  81           HN       TRP  81   9.775  -7.834   2.471
  646    HA   TRP  81           HA       TRP  81  11.571  -8.074   4.785
  647    HB2  TRP  81           HB2      TRP  81   9.116  -9.792   4.155
  648    HB3  TRP  81           HB1      TRP  81   9.940  -9.662   5.712
  649    HD1  TRP  81           HD1      TRP  81  10.126  -6.520   5.926
  650    HE1  TRP  81           HE1      TRP  81   8.042  -5.093   6.226
  651    HE3  TRP  81           HE3      TRP  81   6.596  -9.888   4.397
  652    HZ2  TRP  81           HZ2      TRP  81   5.234  -5.325   5.845
  653    HZ3  TRP  81           HZ3      TRP  81   4.246  -9.189   4.436
  654    HH2  TRP  81           HH2      TRP  81   3.611  -6.882   5.157
  655    H    TYR  82           HN       TYR  82  11.845  -8.509   1.892
  656    HA   TYR  82           HA       TYR  82  13.531 -10.835   1.845
  657    HB2  TYR  82           HB2      TYR  82  11.519 -11.645   0.723
  658    HB3  TYR  82           HB1      TYR  82  11.233 -10.088  -0.018
  659    HD1  TYR  82           HD1      TYR  82  13.397 -13.126  -0.187
  660    HD2  TYR  82           HD2      TYR  82  12.085  -9.588  -2.135
  661    HE1  TYR  82           HE1      TYR  82  14.446 -13.881  -2.281
  662    HE2  TYR  82           HE2      TYR  82  13.125 -10.312  -4.208
  663    HH   TYR  82           HH       TYR  82  14.959 -11.822  -4.899
  664    HA   PRO  83           HA       PRO  83  16.260  -7.512   0.401
  665    HB2  PRO  83           HB2      PRO  83  17.480  -8.873  -1.714
  666    HB3  PRO  83           HB1      PRO  83  18.030  -8.855  -0.036
  667    HG2  PRO  83           HG2      PRO  83  16.413 -10.912  -1.470
  668    HG3  PRO  83           HG1      PRO  83  17.675 -11.125  -0.243
  669    HD2  PRO  83           HD2      PRO  83  15.101 -11.398   0.381
  670    HD3  PRO  83           HD1      PRO  83  16.227 -10.603   1.506
  671    H    TYR  84           HN       TYR  84  15.906  -5.798  -0.883
  672    HA   TYR  84           HA       TYR  84  15.158  -6.238  -3.517
  673    HB2  TYR  84           HB2      TYR  84  13.072  -5.700  -1.604
  674    HB3  TYR  84           HB1      TYR  84  13.135  -4.363  -2.733
  675    HD1  TYR  84           HD2      TYR  84  13.054  -5.031  -5.279
  676    HD2  TYR  84           HD1      TYR  84  11.808  -7.572  -2.111
  677    HE1  TYR  84           HE2      TYR  84  11.639  -6.292  -6.855
  678    HE2  TYR  84           HE1      TYR  84  10.387  -8.838  -3.677
  679    HH   TYR  84           HH       TYR  84  10.653  -8.582  -7.009
  680    H    ASP  85           HN       ASP  85  14.195  -3.540  -4.066
  681    HA   ASP  85           HA       ASP  85  16.616  -2.197  -4.345
  682    HB2  ASP  85           HB2      ASP  85  13.925  -0.871  -4.557
  683    HB3  ASP  85           HB1      ASP  85  15.400  -0.478  -5.432
  684    H    GLN  86           HN       GLN  86  14.786  -2.254  -1.524
  685    HA   GLN  86           HA       GLN  86  16.193  -0.042  -0.401
  686    HB2  GLN  86           HB2      GLN  86  14.244   1.264   0.202
  687    HB3  GLN  86           HB1      GLN  86  14.366   1.123  -1.543
  688    HG2  GLN  86           HG2      GLN  86  12.151   0.705  -1.339
  689    HG3  GLN  86           HG1      GLN  86  12.733  -0.937  -1.075
  690   HE21  GLN  86          HE21      GLN  86  11.074  -1.623   0.279
  691   HE22  GLN  86          HE22      GLN  86  10.749  -0.804   1.762
  692    H    LEU  87           HN       LEU  87  15.690   0.141   1.886
  693    HA   LEU  87           HA       LEU  87  14.226  -2.035   3.029
  694    HB2  LEU  87           HB2      LEU  87  17.139  -1.506   3.671
  695    HB3  LEU  87           HB1      LEU  87  16.086  -2.471   4.675
  696    HG   LEU  87           HG       LEU  87  16.847  -3.152   1.827
  697   HD11  LEU  87          HD11      LEU  87  18.236  -4.895   2.839
  698   HD12  LEU  87          HD12      LEU  87  17.841  -4.277   4.444
  699   HD13  LEU  87          HD13      LEU  87  18.758  -3.282   3.316
  700   HD21  LEU  87          HD21      LEU  87  15.884  -5.356   2.371
  701   HD22  LEU  87          HD22      LEU  87  14.680  -4.075   2.446
  702   HD23  LEU  87          HD23      LEU  87  15.356  -4.730   3.934
  703    H    ASP  88           HN       ASP  88  12.775  -0.363   3.478
  704    HA   ASP  88           HA       ASP  88  11.746   1.243   4.829
  705    HB2  ASP  88           HB2      ASP  88  14.129   0.793   6.681
  706    HB3  ASP  88           HB1      ASP  88  12.684   1.709   7.071
  707    H    GLU  89           HN       GLU  89  13.635   1.834   2.726
  708    HA   GLU  89           HA       GLU  89  14.323   4.540   3.641
  709    HB2  GLU  89           HB2      GLU  89  15.920   2.943   1.651
  710    HB3  GLU  89           HB1      GLU  89  16.281   4.560   2.236
  711    HG2  GLU  89           HG2      GLU  89  16.426   3.574   4.539
  712    HG3  GLU  89           HG1      GLU  89  16.346   1.990   3.775
  713    H    GLU  90           HN       GLU  90  14.062   6.242   2.277
  714    HA   GLU  90           HA       GLU  90  11.972   6.097   0.328
  715    HB2  GLU  90           HB2      GLU  90  12.383   8.518   0.157
  716    HB3  GLU  90           HB1      GLU  90  12.157   7.981   1.827
  717    HG2  GLU  90           HG2      GLU  90  14.597   8.047   2.117
  718    HG3  GLU  90           HG1      GLU  90  14.769   8.617   0.459
  719    H    THR  91           HN       THR  91  14.606   4.788  -0.415
  720    HA   THR  91           HA       THR  91  16.052   6.480  -2.188
  721    HB   THR  91           HB       THR  91  17.236   4.335  -2.713
  722    HG1  THR  91           HG1      THR  91  16.556   2.555  -1.791
  723   HG21  THR  91          HG21      THR  91  18.297   4.271  -0.476
  724   HG22  THR  91          HG22      THR  91  16.960   5.227   0.166
  725   HG23  THR  91          HG23      THR  91  18.042   5.922  -1.040
  726    H    GLN  92           HN       GLN  92  13.133   4.731  -2.910
  727    HA   GLN  92           HA       GLN  92  13.988   4.668  -5.680
  728    HB2  GLN  92           HB2      GLN  92  12.322   2.561  -5.734
  729    HB3  GLN  92           HB1      GLN  92  14.062   2.414  -5.531
  730    HG2  GLN  92           HG2      GLN  92  12.557   0.968  -4.008
  731    HG3  GLN  92           HG1      GLN  92  13.793   1.909  -3.206
  732   HE21  GLN  92          HE21      GLN  92  13.193   3.245  -1.607
  733   HE22  GLN  92          HE22      GLN  92  11.587   3.569  -1.166
  734    H    LEU  93           HN       LEU  93  11.017   4.195  -3.891
  735    HA   LEU  93           HA       LEU  93   9.473   5.946  -5.717
  736    HB2  LEU  93           HB2      LEU  93   8.758   3.153  -4.813
  737    HB3  LEU  93           HB1      LEU  93   7.832   4.158  -5.907
  738    HG   LEU  93           HG       LEU  93  10.574   3.555  -6.795
  739   HD11  LEU  93          HD11      LEU  93   9.980   1.283  -7.504
  740   HD12  LEU  93          HD12      LEU  93   8.496   1.392  -6.533
  741   HD13  LEU  93          HD13      LEU  93  10.085   1.494  -5.758
  742   HD21  LEU  93          HD21      LEU  93   9.438   3.228  -8.920
  743   HD22  LEU  93          HD22      LEU  93   8.911   4.734  -8.164
  744   HD23  LEU  93          HD23      LEU  93   7.876   3.309  -8.111
  745    H    GLU  94           HN       GLU  94   6.974   5.014  -4.392
  746    HA   GLU  94           HA       GLU  94   7.339   6.432  -2.020
  747    HB2  GLU  94           HB2      GLU  94   4.893   6.102  -1.582
  748    HB3  GLU  94           HB1      GLU  94   5.343   6.995  -3.006
  749    HG2  GLU  94           HG2      GLU  94   4.388   4.147  -2.962
  750    HG3  GLU  94           HG1      GLU  94   3.400   5.555  -3.323
  751    H    HIS  95           HN       HIS  95   8.844   4.916  -1.290
  752    HA   HIS  95           HA       HIS  95   7.496   3.251   0.628
  753    HB2  HIS  95           HB2      HIS  95  10.154   2.657  -0.715
  754    HB3  HIS  95           HB1      HIS  95   9.730   1.955   0.831
  755    HD1  HIS  95           HD1      HIS  95   8.452  -0.135   0.770
  756    HD2  HIS  95           HD2      HIS  95   8.525   1.681  -2.960
  757    HE1  HIS  95           HE1      HIS  95   7.539  -1.801  -1.000
  758    HE2  HIS  95           HE2      HIS  95   7.227  -0.407  -2.922
  759    H    HIS  96           HN       HIS  96   7.585   5.344   1.663
  760    HA   HIS  96           HA       HIS  96  10.321   6.250   2.222
  761    HB2  HIS  96           HB2      HIS  96   7.785   7.753   2.866
  762    HB3  HIS  96           HB1      HIS  96   9.418   8.405   2.964
  763    HD1  HIS  96           HD1      HIS  96   6.577   7.907   0.772
  764    HD2  HIS  96           HD2      HIS  96  10.540   8.983   0.359
  765    HE1  HIS  96           HE1      HIS  96   6.783   8.913  -1.555
  766    HE2  HIS  96           HE2      HIS  96   9.254   9.097  -1.857
  767    H    HIS  97           HN       HIS  97   7.715   4.769   3.693
  768    HA   HIS  97           HA       HIS  97   7.574   3.687   5.686
  769    HB2  HIS  97           HB2      HIS  97   9.859   2.856   5.286
  770    HB3  HIS  97           HB1      HIS  97  10.537   4.367   5.841
  771    HD1  HIS  97           HD1      HIS  97  11.482   4.241   8.103
  772    HD2  HIS  97           HD2      HIS  97   8.449   1.456   7.538
  773    HE1  HIS  97           HE1      HIS  97  11.383   2.911  10.218
  774    HE2  HIS  97           HE2      HIS  97   9.838   1.030   9.667
  775    H    HIS  98           HN       HIS  98   9.810   6.273   6.452
  776    HA   HIS  98           HA       HIS  98   7.883   7.930   7.797
  777    HB2  HIS  98           HB2      HIS  98   8.407   6.084   9.509
  778    HB3  HIS  98           HB1      HIS  98  10.075   6.635   9.481
  779    HD1  HIS  98           HD1      HIS  98  10.091   7.348  11.940
  780    HD2  HIS  98           HD2      HIS  98   7.106   9.190   9.717
  781    HE1  HIS  98           HE1      HIS  98   9.140   9.117  13.428
  782    HE2  HIS  98           HE2      HIS  98   7.613  10.419  11.906
  783    H    HIS  99           HN       HIS  99   9.410   8.159   5.653
  784    HA   HIS  99           HA       HIS  99  10.804   9.446   4.503
  785    HB2  HIS  99           HB2      HIS  99  10.484  11.313   6.149
  786    HB3  HIS  99           HB1      HIS  99  11.769  10.645   7.142
  787    HD1  HIS  99           HD1      HIS  99  11.147  12.785   4.155
  788    HD2  HIS  99           HD2      HIS  99  14.401  11.038   6.061
  789    HE1  HIS  99           HE1      HIS  99  13.144  13.948   3.257
  790    HE2  HIS  99           HE2      HIS  99  15.032  12.541   4.084
  791    H    HIS 100           HN       HIS 100  12.243   8.156   7.413
  792    HA   HIS 100           HA       HIS 100  13.709   6.303   5.860
  793    HB2  HIS 100           HB2      HIS 100  15.251   8.316   5.884
  794    HB3  HIS 100           HB1      HIS 100  15.269   8.210   7.642
  795    HD1  HIS 100           HD1      HIS 100  16.639   6.307   8.689
  796    HD2  HIS 100           HD2      HIS 100  16.706   6.334   4.547
  797    HE1  HIS 100           HE1      HIS 100  18.446   4.670   8.028
  798    HE2  HIS 100           HE2      HIS 100  18.281   4.543   5.510
  Start of MODEL    3
    1    H1   GLY   2           HT1      GLY   2  -5.326  11.996   7.940
    2    H2   GLY   2           HT2      GLY   2  -4.345  11.014   8.919
    3    H3   GLY   2           HT3      GLY   2  -5.521  10.309   7.949
    4    HA2  GLY   2           HA1      GLY   2  -4.332  11.046   5.969
    5    HA3  GLY   2           HA2      GLY   2  -3.056  11.663   7.033
    6    H    ILE   3           HN       ILE   3  -1.431  10.447   6.939
    7    HA   ILE   3           HA       ILE   3  -1.851   7.748   7.732
    8    HB   ILE   3           HB       ILE   3  -1.721   8.098   4.998
    9   HG12  ILE   3          HG12      ILE   3  -0.664   5.860   6.665
   10   HG13  ILE   3          HG11      ILE   3  -2.299   6.096   6.149
   11   HG21  ILE   3          HG21      ILE   3   1.127   7.568   5.709
   12   HG22  ILE   3          HG22      ILE   3   0.520   9.062   4.996
   13   HG23  ILE   3          HG23      ILE   3   0.422   7.542   4.089
   14   HD11  ILE   3          HD11      ILE   3  -1.750   5.710   3.841
   15   HD12  ILE   3          HD12      ILE   3  -1.189   4.358   4.827
   16   HD13  ILE   3          HD13      ILE   3  -0.042   5.566   4.251
   17    H    LYS   4           HN       LYS   4   0.817   6.881   7.400
   18    HA   LYS   4           HA       LYS   4   2.124   7.495   9.661
   19    HB2  LYS   4           HB2      LYS   4   2.638   5.700   8.085
   20    HB3  LYS   4           HB1      LYS   4   3.355   6.861   6.990
   21    HG2  LYS   4           HG2      LYS   4   5.135   7.291   8.603
   22    HG3  LYS   4           HG1      LYS   4   4.387   6.156   9.736
   23    HD2  LYS   4           HD2      LYS   4   4.606   4.363   8.063
   24    HD3  LYS   4           HD1      LYS   4   5.389   5.495   6.970
   25    HE2  LYS   4           HE2      LYS   4   7.231   5.755   8.534
   26    HE3  LYS   4           HE1      LYS   4   6.430   4.676   9.680
   27    HZ1  LYS   4           HZ1      LYS   4   8.118   3.485   8.390
   28    HZ2  LYS   4           HZ2      LYS   4   7.348   3.940   6.955
   29    HZ3  LYS   4           HZ3      LYS   4   6.585   2.901   8.043
   30    H    GLN   5           HN       GLN   5   2.691   9.297   6.563
   31    HA   GLN   5           HA       GLN   5   3.459  11.582   8.208
   32    HB2  GLN   5           HB2      GLN   5   5.532  12.053   7.063
   33    HB3  GLN   5           HB1      GLN   5   5.577  10.444   7.771
   34    HG2  GLN   5           HG2      GLN   5   5.284   9.419   5.643
   35    HG3  GLN   5           HG1      GLN   5   4.965  10.974   4.880
   36   HE21  GLN   5          HE21      GLN   5   7.500  10.480   7.282
   37   HE22  GLN   5          HE22      GLN   5   8.801  10.686   6.183
   38    H    TYR   6           HN       TYR   6   1.544  10.593   5.861
   39    HA   TYR   6           HA       TYR   6   1.910  13.038   4.301
   40    HB2  TYR   6           HB2      TYR   6   0.672  10.422   3.423
   41    HB3  TYR   6           HB1      TYR   6   0.503  11.916   2.513
   42    HD1  TYR   6           HD2      TYR   6   2.468  12.953   1.452
   43    HD2  TYR   6           HD1      TYR   6   2.750   9.182   3.399
   44    HE1  TYR   6           HE2      TYR   6   4.610  12.541   0.322
   45    HE2  TYR   6           HE1      TYR   6   4.899   8.759   2.272
   46    HH   TYR   6           HH       TYR   6   6.064   9.484   0.280
   47    H    SER   7           HN       SER   7   0.413  14.533   4.224
   48    HA   SER   7           HA       SER   7  -1.766  14.531   6.051
   49    HB2  SER   7           HB2      SER   7  -1.143  16.393   3.749
   50    HB3  SER   7           HB1      SER   7  -2.073  16.754   5.210
   51    HG   SER   7           HG       SER   7   0.263  15.796   5.958
   52    H    GLN   8           HN       GLN   8  -4.015  14.959   5.423
   53    HA   GLN   8           HA       GLN   8  -4.924  12.717   4.163
   54    HB2  GLN   8           HB2      GLN   8  -6.083  14.059   5.907
   55    HB3  GLN   8           HB1      GLN   8  -6.506  15.222   4.652
   56    HG2  GLN   8           HG2      GLN   8  -8.360  13.724   4.981
   57    HG3  GLN   8           HG1      GLN   8  -7.570  13.435   3.413
   58   HE21  GLN   8          HE21      GLN   8  -8.283  11.299   3.260
   59   HE22  GLN   8          HE22      GLN   8  -7.633  10.071   4.316
   60    H    GLU   9           HN       GLU   9  -4.684  16.017   2.822
   61    HA   GLU   9           HA       GLU   9  -6.107  15.544   0.444
   62    HB2  GLU   9           HB2      GLU   9  -3.842  17.470   0.972
   63    HB3  GLU   9           HB1      GLU   9  -4.861  17.498  -0.455
   64    HG2  GLU   9           HG2      GLU   9  -5.778  17.956   2.380
   65    HG3  GLU   9           HG1      GLU   9  -5.525  19.190   1.149
   66    H    GLU  10           HN       GLU  10  -2.787  15.104   1.295
   67    HA   GLU  10           HA       GLU  10  -1.912  14.614  -1.393
   68    HB2  GLU  10           HB2      GLU  10  -0.527  13.982   1.207
   69    HB3  GLU  10           HB1      GLU  10   0.217  14.014  -0.384
   70    HG2  GLU  10           HG2      GLU  10  -0.911  16.321   1.154
   71    HG3  GLU  10           HG1      GLU  10   0.786  16.014   0.778
   72    H    LEU  11           HN       LEU  11  -2.928  12.819   1.350
   73    HA   LEU  11           HA       LEU  11  -1.909  10.444   0.428
   74    HB2  LEU  11           HB2      LEU  11  -2.276  10.956   2.815
   75    HB3  LEU  11           HB1      LEU  11  -3.997  10.921   2.572
   76    HG   LEU  11           HG       LEU  11  -3.014   8.977   3.794
   77   HD11  LEU  11          HD11      LEU  11  -4.348   7.269   2.680
   78   HD12  LEU  11          HD12      LEU  11  -4.508   8.321   1.271
   79   HD13  LEU  11          HD13      LEU  11  -5.213   8.801   2.813
   80   HD21  LEU  11          HD21      LEU  11  -0.979   8.771   2.481
   81   HD22  LEU  11          HD22      LEU  11  -1.919   8.271   1.077
   82   HD23  LEU  11          HD23      LEU  11  -1.866   7.253   2.517
   83    H    LYS  12           HN       LYS  12  -5.139  11.795   0.461
   84    HA   LYS  12           HA       LYS  12  -6.444   9.546  -0.687
   85    HB2  LYS  12           HB2      LYS  12  -8.389  11.013  -1.048
   86    HB3  LYS  12           HB1      LYS  12  -7.745  11.143   0.582
   87    HG2  LYS  12           HG2      LYS  12  -6.606  13.225  -0.049
   88    HG3  LYS  12           HG1      LYS  12  -7.283  13.077  -1.668
   89    HD2  LYS  12           HD2      LYS  12  -8.923  13.311   0.852
   90    HD3  LYS  12           HD1      LYS  12  -8.496  14.667  -0.188
   91    HE2  LYS  12           HE2      LYS  12  -9.655  13.537  -2.065
   92    HE3  LYS  12           HE1      LYS  12 -10.157  12.260  -0.959
   93    HZ1  LYS  12           HZ1      LYS  12 -10.859  15.133  -0.711
   94    HZ2  LYS  12           HZ2      LYS  12 -11.385  13.935   0.332
   95    HZ3  LYS  12           HZ3      LYS  12 -11.892  13.935  -1.259
   96    H    GLU  13           HN       GLU  13  -4.879  12.336  -2.217
   97    HA   GLU  13           HA       GLU  13  -6.008  11.617  -4.756
   98    HB2  GLU  13           HB2      GLU  13  -4.122  13.811  -3.960
   99    HB3  GLU  13           HB1      GLU  13  -4.766  13.569  -5.585
  100    HG2  GLU  13           HG2      GLU  13  -7.035  13.826  -4.724
  101    HG3  GLU  13           HG1      GLU  13  -6.381  14.062  -3.111
  102    H    MET  14           HN       MET  14  -3.680  10.235  -3.145
  103    HA   MET  14           HA       MET  14  -1.944   9.814  -5.461
  104    HB2  MET  14           HB2      MET  14  -1.701   8.661  -2.669
  105    HB3  MET  14           HB1      MET  14  -0.610   8.290  -3.991
  106    HG2  MET  14           HG2      MET  14  -0.131  10.770  -4.085
  107    HG3  MET  14           HG1      MET  14  -0.990  10.888  -2.563
  108    HE1  MET  14           HE1      MET  14   1.234   8.529  -0.255
  109    HE2  MET  14           HE2      MET  14  -0.141   8.030  -1.237
  110    HE3  MET  14           HE3      MET  14  -0.212   9.533  -0.313
  111    H    ALA  15           HN       ALA  15  -1.396   7.464  -5.963
  112    HA   ALA  15           HA       ALA  15  -3.837   6.063  -6.586
  113    HB1  ALA  15           HB1      ALA  15  -1.804   5.844  -7.944
  114    HB2  ALA  15           HB2      ALA  15  -2.370   4.293  -7.324
  115    HB3  ALA  15           HB3      ALA  15  -0.988   5.094  -6.572
  116    H    LEU  16           HN       LEU  16  -4.715   4.354  -5.571
  117    HA   LEU  16           HA       LEU  16  -4.460   4.265  -2.869
  118    HB2  LEU  16           HB2      LEU  16  -5.518   2.074  -4.638
  119    HB3  LEU  16           HB1      LEU  16  -5.800   2.192  -2.903
  120    HG   LEU  16           HG       LEU  16  -6.809   4.104  -5.011
  121   HD11  LEU  16          HD11      LEU  16  -8.231   2.044  -3.346
  122   HD12  LEU  16          HD12      LEU  16  -7.937   1.976  -5.085
  123   HD13  LEU  16          HD13      LEU  16  -9.003   3.211  -4.417
  124   HD21  LEU  16          HD21      LEU  16  -8.135   5.072  -3.168
  125   HD22  LEU  16          HD22      LEU  16  -6.408   5.298  -2.955
  126   HD23  LEU  16          HD23      LEU  16  -7.255   4.058  -2.020
  127    H    VAL  17           HN       VAL  17  -2.711   2.356  -5.248
  128    HA   VAL  17           HA       VAL  17  -1.574   0.582  -3.431
  129    HB   VAL  17           HB       VAL  17  -1.515   0.180  -5.854
  130   HG11  VAL  17          HG11      VAL  17  -1.108   2.415  -6.679
  131   HG12  VAL  17          HG12      VAL  17   0.123   1.317  -7.307
  132   HG13  VAL  17          HG13      VAL  17   0.510   2.409  -5.979
  133   HG21  VAL  17          HG21      VAL  17   1.254   0.288  -4.661
  134   HG22  VAL  17          HG22      VAL  17   0.778  -0.678  -6.060
  135   HG23  VAL  17          HG23      VAL  17   0.088  -1.020  -4.471
  136    H    GLU  18           HN       GLU  18  -0.668   3.983  -4.178
  137    HA   GLU  18           HA       GLU  18   1.940   3.777  -3.055
  138    HB2  GLU  18           HB2      GLU  18   0.165   6.119  -3.783
  139    HB3  GLU  18           HB1      GLU  18   1.835   6.266  -3.250
  140    HG2  GLU  18           HG2      GLU  18   2.610   5.082  -5.190
  141    HG3  GLU  18           HG1      GLU  18   0.958   4.757  -5.698
  142    H    ILE  19           HN       ILE  19  -1.322   4.701  -2.086
  143    HA   ILE  19           HA       ILE  19  -0.800   5.553   0.578
  144    HB   ILE  19           HB       ILE  19  -3.167   3.986  -0.509
  145   HG12  ILE  19          HG12      ILE  19  -2.744   6.997  -0.412
  146   HG13  ILE  19          HG11      ILE  19  -2.828   5.980  -1.833
  147   HG21  ILE  19          HG21      ILE  19  -3.134   3.961   1.903
  148   HG22  ILE  19          HG22      ILE  19  -4.452   4.993   1.340
  149   HG23  ILE  19          HG23      ILE  19  -2.960   5.712   1.947
  150   HD11  ILE  19          HD11      ILE  19  -5.156   5.445  -1.328
  151   HD12  ILE  19          HD12      ILE  19  -4.894   7.183  -1.522
  152   HD13  ILE  19          HD13      ILE  19  -5.060   6.486   0.090
  153    H    ALA  20           HN       ALA  20  -1.614   2.422  -0.815
  154    HA   ALA  20           HA       ALA  20  -1.571   0.916   1.496
  155    HB1  ALA  20           HB1      ALA  20  -0.793  -0.028  -1.256
  156    HB2  ALA  20           HB2      ALA  20  -2.444   0.104  -0.647
  157    HB3  ALA  20           HB3      ALA  20  -1.321  -1.042   0.087
  158    H    HIS  21           HN       HIS  21   1.113   1.857  -0.546
  159    HA   HIS  21           HA       HIS  21   3.118   0.276   0.577
  160    HB2  HIS  21           HB2      HIS  21   3.415   1.671  -1.453
  161    HB3  HIS  21           HB1      HIS  21   3.412   3.111  -0.439
  162    HD1  HIS  21           HD1      HIS  21   5.590   3.547   1.043
  163    HD2  HIS  21           HD2      HIS  21   5.754   0.195  -1.425
  164    HE1  HIS  21           HE1      HIS  21   7.947   2.809   1.062
  165    HE2  HIS  21           HE2      HIS  21   8.078   0.902  -0.560
  166    H    GLU  22           HN       GLU  22   2.082   3.554   1.472
  167    HA   GLU  22           HA       GLU  22   3.926   3.654   3.626
  168    HB2  GLU  22           HB2      GLU  22   1.543   5.390   3.028
  169    HB3  GLU  22           HB1      GLU  22   2.683   5.704   4.335
  170    HG2  GLU  22           HG2      GLU  22   3.148   5.746   1.386
  171    HG3  GLU  22           HG1      GLU  22   3.259   7.077   2.517
  172    H    LEU  23           HN       LEU  23   0.661   2.641   3.288
  173    HA   LEU  23           HA       LEU  23   0.019   2.597   6.048
  174    HB2  LEU  23           HB2      LEU  23  -1.612   2.474   4.094
  175    HB3  LEU  23           HB1      LEU  23  -1.131   0.804   3.915
  176    HG   LEU  23           HG       LEU  23  -1.970   0.312   6.171
  177   HD11  LEU  23          HD11      LEU  23  -2.817   3.207   6.134
  178   HD12  LEU  23          HD12      LEU  23  -1.691   2.437   7.256
  179   HD13  LEU  23          HD13      LEU  23  -3.396   2.006   7.284
  180   HD21  LEU  23          HD21      LEU  23  -3.413   0.002   4.236
  181   HD22  LEU  23          HD22      LEU  23  -3.967   1.669   4.368
  182   HD23  LEU  23          HD23      LEU  23  -4.344   0.510   5.645
  183    H    PHE  24           HN       PHE  24   1.239   0.246   3.834
  184    HA   PHE  24           HA       PHE  24   1.498  -1.810   5.828
  185    HB2  PHE  24           HB2      PHE  24   2.401  -1.504   3.063
  186    HB3  PHE  24           HB1      PHE  24   3.223  -2.738   4.022
  187    HD1  PHE  24           HD2      PHE  24   1.721  -4.502   5.074
  188    HD2  PHE  24           HD1      PHE  24   0.436  -1.881   2.014
  189    HE1  PHE  24           HE2      PHE  24  -0.074  -6.056   4.510
  190    HE2  PHE  24           HE1      PHE  24  -1.357  -3.429   1.429
  191    HZ   PHE  24           HZ       PHE  24  -1.622  -5.532   2.684
  192    H    GLU  25           HN       GLU  25   3.636   0.687   4.619
  193    HA   GLU  25           HA       GLU  25   5.865  -0.362   6.033
  194    HB2  GLU  25           HB2      GLU  25   5.951   1.195   3.989
  195    HB3  GLU  25           HB1      GLU  25   5.685   2.506   5.129
  196    HG2  GLU  25           HG2      GLU  25   8.057   2.265   4.633
  197    HG3  GLU  25           HG1      GLU  25   7.732   1.897   6.325
  198    H    GLU  26           HN       GLU  26   3.293   1.568   6.899
  199    HA   GLU  26           HA       GLU  26   4.323   2.551   9.389
  200    HB2  GLU  26           HB2      GLU  26   2.488   3.580   7.959
  201    HB3  GLU  26           HB1      GLU  26   1.485   2.218   8.376
  202    HG2  GLU  26           HG2      GLU  26   2.543   4.231  10.352
  203    HG3  GLU  26           HG1      GLU  26   0.971   4.314   9.582
  204    H    HIS  27           HN       HIS  27   2.251  -0.001   8.237
  205    HA   HIS  27           HA       HIS  27   1.507  -1.039  10.747
  206    HB2  HIS  27           HB2      HIS  27   1.316  -2.181   7.991
  207    HB3  HIS  27           HB1      HIS  27   0.744  -3.033   9.407
  208    HD1  HIS  27           HD1      HIS  27  -0.216   0.290  10.253
  209    HD2  HIS  27           HD2      HIS  27  -1.457  -2.389   7.312
  210    HE1  HIS  27           HE1      HIS  27  -2.537   0.905   9.738
  211    HE2  HIS  27           HE2      HIS  27  -3.364  -0.813   8.111
  212    H    LYS  28           HN       LYS  28   3.998  -2.112   8.403
  213    HA   LYS  28           HA       LYS  28   5.777  -4.019   8.753
  214    HB2  LYS  28           HB2      LYS  28   5.237  -3.258  11.612
  215    HB3  LYS  28           HB1      LYS  28   6.649  -4.047  10.934
  216    HG2  LYS  28           HG2      LYS  28   5.887  -1.153  10.594
  217    HG3  LYS  28           HG1      LYS  28   7.152  -1.781  11.650
  218    HD2  LYS  28           HD2      LYS  28   8.342  -2.640   9.669
  219    HD3  LYS  28           HD1      LYS  28   7.088  -1.953   8.632
  220    HE2  LYS  28           HE2      LYS  28   7.584   0.274   9.568
  221    HE3  LYS  28           HE1      LYS  28   8.884  -0.449  10.512
  222    HZ1  LYS  28           HZ1      LYS  28  10.092  -0.919   8.481
  223    HZ2  LYS  28           HZ2      LYS  28   9.558   0.683   8.453
  224    HZ3  LYS  28           HZ3      LYS  28   8.755  -0.472   7.545
  225    H    LYS  29           HN       LYS  29   2.886  -4.484   8.602
  226    HA   LYS  29           HA       LYS  29   3.443  -7.277   9.128
  227    HB2  LYS  29           HB2      LYS  29   1.184  -7.512  10.254
  228    HB3  LYS  29           HB1      LYS  29   2.418  -6.689  11.187
  229    HG2  LYS  29           HG2      LYS  29   0.418  -5.479  11.515
  230    HG3  LYS  29           HG1      LYS  29   1.417  -4.523  10.429
  231    HD2  LYS  29           HD2      LYS  29  -0.773  -4.417   9.502
  232    HD3  LYS  29           HD1      LYS  29   0.118  -5.597   8.543
  233    HE2  LYS  29           HE2      LYS  29  -2.164  -6.425   9.126
  234    HE3  LYS  29           HE1      LYS  29  -0.890  -7.440   9.773
  235    HZ1  LYS  29           HZ1      LYS  29  -1.250  -6.503  11.953
  236    HZ2  LYS  29           HZ2      LYS  29  -2.717  -7.010  11.310
  237    HZ3  LYS  29           HZ3      LYS  29  -2.357  -5.381  11.341
  238    HA   PRO  30           HA       PRO  30   0.941  -7.919   5.408
  239    HB2  PRO  30           HB2      PRO  30   0.022 -10.483   6.413
  240    HB3  PRO  30           HB1      PRO  30   1.201 -10.146   5.146
  241    HG2  PRO  30           HG2      PRO  30   1.926 -11.243   7.500
  242    HG3  PRO  30           HG1      PRO  30   2.974 -10.115   6.623
  243    HD2  PRO  30           HD2      PRO  30   1.125  -9.558   8.913
  244    HD3  PRO  30           HD1      PRO  30   2.834  -9.105   8.713
  245    H    VAL  31           HN       VAL  31  -1.226  -7.592   4.729
  246    HA   VAL  31           HA       VAL  31  -3.280  -8.019   6.766
  247    HB   VAL  31           HB       VAL  31  -3.488  -5.815   4.722
  248   HG11  VAL  31          HG11      VAL  31  -4.852  -6.210   7.336
  249   HG12  VAL  31          HG12      VAL  31  -5.530  -6.415   5.715
  250   HG13  VAL  31          HG13      VAL  31  -5.064  -4.805   6.287
  251   HG21  VAL  31          HG21      VAL  31  -2.397  -5.369   7.498
  252   HG22  VAL  31          HG22      VAL  31  -2.817  -4.138   6.294
  253   HG23  VAL  31          HG23      VAL  31  -1.496  -5.257   5.976
  254    HA   PRO  32           HA       PRO  32  -5.411 -10.330   3.328
  255    HB2  PRO  32           HB2      PRO  32  -7.679  -9.174   4.882
  256    HB3  PRO  32           HB1      PRO  32  -7.522 -10.808   4.247
  257    HG2  PRO  32           HG2      PRO  32  -7.138 -10.488   6.787
  258    HG3  PRO  32           HG1      PRO  32  -5.895 -11.372   5.891
  259    HD2  PRO  32           HD2      PRO  32  -5.840  -8.519   6.820
  260    HD3  PRO  32           HD1      PRO  32  -4.562  -9.751   6.907
  261    H    PHE  33           HN       PHE  33  -6.520  -9.713   1.470
  262    HA   PHE  33           HA       PHE  33  -6.148  -7.153   0.565
  263    HB2  PHE  33           HB2      PHE  33  -6.373  -9.164  -0.870
  264    HB3  PHE  33           HB1      PHE  33  -8.089  -9.217  -0.498
  265    HD1  PHE  33           HD1      PHE  33  -9.608  -7.504  -1.394
  266    HD2  PHE  33           HD2      PHE  33  -5.491  -7.623  -2.449
  267    HE1  PHE  33           HE1      PHE  33 -10.067  -6.035  -3.303
  268    HE2  PHE  33           HE2      PHE  33  -5.938  -6.152  -4.359
  269    HZ   PHE  33           HZ       PHE  33  -8.233  -5.354  -4.789
  270    H    GLN  34           HN       GLN  34  -9.289  -8.681   1.386
  271    HA   GLN  34           HA       GLN  34 -10.624  -6.292   1.072
  272    HB2  GLN  34           HB2      GLN  34 -12.577  -7.475   2.143
  273    HB3  GLN  34           HB1      GLN  34 -11.879  -8.244   0.753
  274    HG2  GLN  34           HG2      GLN  34 -12.418  -9.951   2.365
  275    HG3  GLN  34           HG1      GLN  34 -10.669  -9.827   2.242
  276   HE21  GLN  34          HE21      GLN  34 -12.807  -7.682   4.032
  277   HE22  GLN  34          HE22      GLN  34 -12.084  -8.009   5.558
  278    H    GLU  35           HN       GLU  35  -8.934  -7.400   3.807
  279    HA   GLU  35           HA       GLU  35 -10.252  -5.701   5.754
  280    HB2  GLU  35           HB2      GLU  35  -7.617  -7.180   5.798
  281    HB3  GLU  35           HB1      GLU  35  -8.215  -6.236   7.154
  282    HG2  GLU  35           HG2      GLU  35  -9.676  -8.542   5.926
  283    HG3  GLU  35           HG1      GLU  35  -8.639  -8.697   7.338
  284    H    LEU  36           HN       LEU  36  -7.238  -5.709   3.946
  285    HA   LEU  36           HA       LEU  36  -6.180  -3.247   4.783
  286    HB2  LEU  36           HB2      LEU  36  -4.815  -4.753   3.601
  287    HB3  LEU  36           HB1      LEU  36  -5.913  -4.908   2.269
  288    HG   LEU  36           HG       LEU  36  -5.392  -2.453   1.791
  289   HD11  LEU  36          HD11      LEU  36  -4.428  -1.885   3.922
  290   HD12  LEU  36          HD12      LEU  36  -3.262  -1.629   2.621
  291   HD13  LEU  36          HD13      LEU  36  -3.122  -3.042   3.668
  292   HD21  LEU  36          HD21      LEU  36  -3.333  -3.041   0.597
  293   HD22  LEU  36          HD22      LEU  36  -4.582  -4.273   0.417
  294   HD23  LEU  36          HD23      LEU  36  -3.238  -4.539   1.523
  295    H    LEU  37           HN       LEU  37  -8.423  -4.182   2.224
  296    HA   LEU  37           HA       LEU  37  -8.832  -1.750   0.936
  297    HB2  LEU  37           HB2      LEU  37  -9.553  -3.922   0.102
  298    HB3  LEU  37           HB1      LEU  37 -10.670  -4.073   1.437
  299    HG   LEU  37           HG       LEU  37 -11.909  -2.111   0.546
  300   HD11  LEU  37          HD11      LEU  37 -11.498  -1.439  -1.764
  301   HD12  LEU  37          HD12      LEU  37 -10.063  -2.464  -1.805
  302   HD13  LEU  37          HD13      LEU  37 -10.126  -1.073  -0.720
  303   HD21  LEU  37          HD21      LEU  37 -11.608  -4.476  -1.307
  304   HD22  LEU  37          HD22      LEU  37 -12.990  -3.377  -1.247
  305   HD23  LEU  37          HD23      LEU  37 -12.619  -4.409   0.135
  306    H    ASN  38           HN       ASN  38 -10.512  -3.219   3.657
  307    HA   ASN  38           HA       ASN  38 -12.485  -1.213   3.945
  308    HB2  ASN  38           HB2      ASN  38 -12.612  -3.582   4.814
  309    HB3  ASN  38           HB1      ASN  38 -11.474  -3.117   6.070
  310   HD21  ASN  38          HD21      ASN  38 -12.204  -1.846   7.777
  311   HD22  ASN  38          HD22      ASN  38 -13.880  -1.522   8.032
  312    H    GLU  39           HN       GLU  39  -9.248  -1.600   5.238
  313    HA   GLU  39           HA       GLU  39  -9.507   0.557   7.062
  314    HB2  GLU  39           HB2      GLU  39  -7.936  -1.200   7.541
  315    HB3  GLU  39           HB1      GLU  39  -7.090  -0.915   6.028
  316    HG2  GLU  39           HG2      GLU  39  -6.258   1.175   6.797
  317    HG3  GLU  39           HG1      GLU  39  -7.290   1.123   8.223
  318    H    ILE  40           HN       ILE  40  -8.062   0.219   3.823
  319    HA   ILE  40           HA       ILE  40  -7.103   2.822   3.691
  320    HB   ILE  40           HB       ILE  40  -7.974   1.014   1.405
  321   HG12  ILE  40          HG12      ILE  40  -5.245   1.725   2.500
  322   HG13  ILE  40          HG11      ILE  40  -6.092   0.206   2.759
  323   HG21  ILE  40          HG21      ILE  40  -6.426   3.609   1.223
  324   HG22  ILE  40          HG22      ILE  40  -8.060   3.332   0.617
  325   HG23  ILE  40          HG23      ILE  40  -6.695   2.483  -0.108
  326   HD11  ILE  40          HD11      ILE  40  -5.942  -0.274   0.368
  327   HD12  ILE  40          HD12      ILE  40  -4.350  -0.013   1.085
  328   HD13  ILE  40          HD13      ILE  40  -5.100   1.256   0.119
  329    H    ALA  41           HN       ALA  41 -10.222   1.466   2.942
  330    HA   ALA  41           HA       ALA  41 -11.633   3.645   1.848
  331    HB1  ALA  41           HB1      ALA  41 -12.501   1.336   2.070
  332    HB2  ALA  41           HB2      ALA  41 -13.610   2.568   2.675
  333    HB3  ALA  41           HB3      ALA  41 -12.658   1.603   3.805
  334    H    SER  42           HN       SER  42 -11.071   2.773   5.025
  335    HA   SER  42           HA       SER  42 -12.470   4.937   6.251
  336    HB2  SER  42           HB2      SER  42 -10.470   3.018   7.442
  337    HB3  SER  42           HB1      SER  42 -11.577   4.050   8.353
  338    HG   SER  42           HG       SER  42 -12.131   1.773   6.773
  339    H    LEU  43           HN       LEU  43  -9.044   4.522   5.384
  340    HA   LEU  43           HA       LEU  43  -8.049   6.751   6.713
  341    HB2  LEU  43           HB2      LEU  43  -7.259   5.613   4.033
  342    HB3  LEU  43           HB1      LEU  43  -6.325   6.778   4.936
  343    HG   LEU  43           HG       LEU  43  -6.910   3.960   5.852
  344   HD11  LEU  43          HD11      LEU  43  -5.464   4.086   3.846
  345   HD12  LEU  43          HD12      LEU  43  -4.622   3.502   5.274
  346   HD13  LEU  43          HD13      LEU  43  -4.380   5.162   4.730
  347   HD21  LEU  43          HD21      LEU  43  -5.032   6.068   6.925
  348   HD22  LEU  43          HD22      LEU  43  -5.188   4.418   7.525
  349   HD23  LEU  43          HD23      LEU  43  -6.531   5.547   7.691
  350    H    LEU  44           HN       LEU  44  -9.594   6.403   3.585
  351    HA   LEU  44           HA       LEU  44  -9.231   9.186   2.969
  352    HB2  LEU  44           HB2      LEU  44 -10.545   6.938   1.492
  353    HB3  LEU  44           HB1      LEU  44 -10.777   8.592   0.975
  354    HG   LEU  44           HG       LEU  44  -8.310   8.779   0.655
  355   HD11  LEU  44          HD11      LEU  44  -7.540   7.066   2.170
  356   HD12  LEU  44          HD12      LEU  44  -6.971   6.754   0.528
  357   HD13  LEU  44          HD13      LEU  44  -8.314   5.823   1.187
  358   HD21  LEU  44          HD21      LEU  44  -8.238   7.459  -1.398
  359   HD22  LEU  44          HD22      LEU  44  -9.773   8.310  -1.215
  360   HD23  LEU  44          HD23      LEU  44  -9.677   6.582  -0.881
  361    H    GLY  45           HN       GLY  45 -11.503   7.529   4.801
  362    HA2  GLY  45           HA2      GLY  45 -13.395   8.331   5.839
  363    HA3  GLY  45           HA1      GLY  45 -13.187   9.852   4.974
  364    H    VAL  46           HN       VAL  46 -13.283   6.799   3.298
  365    HA   VAL  46           HA       VAL  46 -15.941   7.509   2.289
  366    HB   VAL  46           HB       VAL  46 -15.317   6.659   0.071
  367   HG11  VAL  46          HG11      VAL  46 -13.808   8.434  -0.661
  368   HG12  VAL  46          HG12      VAL  46 -13.360   8.740   1.015
  369   HG13  VAL  46          HG13      VAL  46 -15.013   9.037   0.479
  370   HG21  VAL  46          HG21      VAL  46 -12.540   6.306   1.212
  371   HG22  VAL  46          HG22      VAL  46 -12.962   6.142  -0.493
  372   HG23  VAL  46          HG23      VAL  46 -13.628   5.019   0.693
  373    H    LYS  47           HN       LYS  47 -16.895   5.461   1.185
  374    HA   LYS  47           HA       LYS  47 -16.203   3.251   2.930
  375    HB2  LYS  47           HB2      LYS  47 -18.716   3.656   1.278
  376    HB3  LYS  47           HB1      LYS  47 -18.387   2.237   2.266
  377    HG2  LYS  47           HG2      LYS  47 -18.165   3.790   4.225
  378    HG3  LYS  47           HG1      LYS  47 -18.776   5.066   3.187
  379    HD2  LYS  47           HD2      LYS  47 -20.265   2.511   3.827
  380    HD3  LYS  47           HD1      LYS  47 -20.479   4.019   4.693
  381    HE2  LYS  47           HE2      LYS  47 -22.267   3.923   3.195
  382    HE3  LYS  47           HE1      LYS  47 -21.130   5.024   2.435
  383    HZ1  LYS  47           HZ1      LYS  47 -22.275   3.224   1.072
  384    HZ2  LYS  47           HZ2      LYS  47 -21.118   2.155   1.711
  385    HZ3  LYS  47           HZ3      LYS  47 -20.652   3.485   0.769
  386    H    LYS  48           HN       LYS  48 -15.692   1.243   2.121
  387    HA   LYS  48           HA       LYS  48 -14.034   1.158  -0.012
  388    HB2  LYS  48           HB2      LYS  48 -14.196  -1.318   0.241
  389    HB3  LYS  48           HB1      LYS  48 -13.945  -0.445   1.743
  390    HG2  LYS  48           HG2      LYS  48 -16.497  -0.605   2.040
  391    HG3  LYS  48           HG1      LYS  48 -16.425  -1.801   0.755
  392    HD2  LYS  48           HD2      LYS  48 -14.939  -3.171   2.021
  393    HD3  LYS  48           HD1      LYS  48 -14.816  -1.955   3.293
  394    HE2  LYS  48           HE2      LYS  48 -17.271  -2.193   3.671
  395    HE3  LYS  48           HE1      LYS  48 -17.274  -3.523   2.512
  396    HZ1  LYS  48           HZ1      LYS  48 -15.718  -3.420   5.032
  397    HZ2  LYS  48           HZ2      LYS  48 -15.746  -4.731   3.967
  398    HZ3  LYS  48           HZ3      LYS  48 -17.128  -4.295   4.816
  399    H    GLU  49           HN       GLU  49 -17.381   0.658   0.187
  400    HA   GLU  49           HA       GLU  49 -18.101  -0.741  -2.129
  401    HB2  GLU  49           HB2      GLU  49 -19.666   1.273  -0.540
  402    HB3  GLU  49           HB1      GLU  49 -20.308  -0.031  -1.529
  403    HG2  GLU  49           HG2      GLU  49 -19.603  -1.677  -0.018
  404    HG3  GLU  49           HG1      GLU  49 -18.521  -0.570   0.822
  405    H    GLU  50           HN       GLU  50 -17.335   2.657  -1.557
  406    HA   GLU  50           HA       GLU  50 -18.759   3.729  -3.811
  407    HB2  GLU  50           HB2      GLU  50 -16.501   5.057  -2.345
  408    HB3  GLU  50           HB1      GLU  50 -17.854   5.806  -3.173
  409    HG2  GLU  50           HG2      GLU  50 -17.933   4.237  -0.645
  410    HG3  GLU  50           HG1      GLU  50 -18.092   5.992  -0.768
  411    H    LEU  51           HN       LEU  51 -15.768   2.203  -3.316
  412    HA   LEU  51           HA       LEU  51 -14.225   3.570  -5.239
  413    HB2  LEU  51           HB2      LEU  51 -13.912   0.965  -3.823
  414    HB3  LEU  51           HB1      LEU  51 -12.850   1.326  -5.158
  415    HG   LEU  51           HG       LEU  51 -12.043   3.337  -3.941
  416   HD11  LEU  51          HD11      LEU  51 -13.974   3.844  -2.581
  417   HD12  LEU  51          HD12      LEU  51 -12.552   3.615  -1.561
  418   HD13  LEU  51          HD13      LEU  51 -13.768   2.340  -1.690
  419   HD21  LEU  51          HD21      LEU  51 -10.834   1.245  -3.757
  420   HD22  LEU  51          HD22      LEU  51 -11.845   0.765  -2.392
  421   HD23  LEU  51          HD23      LEU  51 -10.759   2.146  -2.244
  422    H    GLY  52           HN       GLY  52 -15.996   0.433  -5.489
  423    HA2  GLY  52           HA2      GLY  52 -17.013  -0.489  -7.312
  424    HA3  GLY  52           HA1      GLY  52 -16.998   1.103  -8.065
  425    H    ASP  53           HN       ASP  53 -16.014   0.993 -10.013
  426    HA   ASP  53           HA       ASP  53 -14.241  -0.623 -11.126
  427    HB2  ASP  53           HB2      ASP  53 -15.157   1.267 -12.300
  428    HB3  ASP  53           HB1      ASP  53 -14.226   2.383 -11.315
  429    H    ARG  54           HN       ARG  54 -13.402   1.499  -8.508
  430    HA   ARG  54           HA       ARG  54 -10.630   1.683  -9.170
  431    HB2  ARG  54           HB2      ARG  54 -12.075   3.422  -7.897
  432    HB3  ARG  54           HB1      ARG  54 -11.825   2.391  -6.499
  433    HG2  ARG  54           HG2      ARG  54 -10.232   4.193  -6.472
  434    HG3  ARG  54           HG1      ARG  54  -9.383   2.674  -6.780
  435    HD2  ARG  54           HD2      ARG  54  -8.587   4.491  -8.231
  436    HD3  ARG  54           HD1      ARG  54  -9.286   3.179  -9.169
  437    HE   ARG  54           HE       ARG  54 -10.579   5.758  -8.583
  438   HH11  ARG  54          HH11      ARG  54 -10.182   2.956 -10.707
  439   HH12  ARG  54          HH12      ARG  54 -11.293   3.444 -11.869
  440   HH21  ARG  54          HH21      ARG  54 -12.038   6.549 -10.246
  441   HH22  ARG  54          HH22      ARG  54 -12.296   5.632 -11.655
  442    H    ILE  55           HN       ILE  55 -12.673  -0.524  -7.630
  443    HA   ILE  55           HA       ILE  55 -10.819  -1.779  -5.807
  444    HB   ILE  55           HB       ILE  55 -13.261  -2.937  -7.200
  445   HG12  ILE  55          HG12      ILE  55 -13.848  -1.071  -5.718
  446   HG13  ILE  55          HG11      ILE  55 -14.459  -2.601  -5.103
  447   HG21  ILE  55          HG21      ILE  55 -11.781  -4.720  -6.490
  448   HG22  ILE  55          HG22      ILE  55 -13.243  -4.707  -5.506
  449   HG23  ILE  55          HG23      ILE  55 -11.737  -4.062  -4.854
  450   HD11  ILE  55          HD11      ILE  55 -12.601  -2.679  -3.511
  451   HD12  ILE  55          HD12      ILE  55 -13.602  -1.244  -3.310
  452   HD13  ILE  55          HD13      ILE  55 -12.037  -1.120  -4.113
  453    H    ALA  56           HN       ALA  56 -11.755  -2.356  -9.125
  454    HA   ALA  56           HA       ALA  56 -10.040  -4.598  -9.479
  455    HB1  ALA  56           HB1      ALA  56 -12.027  -4.267 -10.858
  456    HB2  ALA  56           HB2      ALA  56 -10.578  -4.337 -11.865
  457    HB3  ALA  56           HB3      ALA  56 -11.333  -2.785 -11.508
  458    H    GLN  57           HN       GLN  57  -9.802  -1.160 -10.040
  459    HA   GLN  57           HA       GLN  57  -7.277  -1.212 -11.293
  460    HB2  GLN  57           HB2      GLN  57  -8.590   0.965  -9.673
  461    HB3  GLN  57           HB1      GLN  57  -7.069   1.172 -10.531
  462    HG2  GLN  57           HG2      GLN  57  -9.747   0.537 -11.760
  463    HG3  GLN  57           HG1      GLN  57  -8.869   2.067 -11.820
  464   HE21  GLN  57          HE21      GLN  57  -6.273   0.849 -12.220
  465   HE22  GLN  57          HE22      GLN  57  -6.255   0.242 -13.830
  466    H    PHE  58           HN       PHE  58  -8.164  -0.602  -7.889
  467    HA   PHE  58           HA       PHE  58  -5.647  -0.484  -6.760
  468    HB2  PHE  58           HB2      PHE  58  -7.635  -0.128  -5.379
  469    HB3  PHE  58           HB1      PHE  58  -8.153  -1.789  -5.636
  470    HD1  PHE  58           HD2      PHE  58  -6.946  -3.642  -4.555
  471    HD2  PHE  58           HD1      PHE  58  -5.975   0.392  -3.738
  472    HE1  PHE  58           HE2      PHE  58  -5.692  -4.376  -2.630
  473    HE2  PHE  58           HE1      PHE  58  -4.705  -0.312  -1.752
  474    HZ   PHE  58           HZ       PHE  58  -4.560  -2.697  -1.177
  475    H    TYR  59           HN       TYR  59  -7.617  -3.333  -7.389
  476    HA   TYR  59           HA       TYR  59  -5.952  -5.332  -6.445
  477    HB2  TYR  59           HB2      TYR  59  -8.329  -5.564  -7.296
  478    HB3  TYR  59           HB1      TYR  59  -7.676  -5.524  -8.925
  479    HD1  TYR  59           HD1      TYR  59  -7.795  -7.445  -5.794
  480    HD2  TYR  59           HD2      TYR  59  -6.699  -7.493  -9.896
  481    HE1  TYR  59           HE1      TYR  59  -7.522  -9.868  -5.671
  482    HE2  TYR  59           HE2      TYR  59  -6.414  -9.933  -9.784
  483    HH   TYR  59           HH       TYR  59  -5.993 -11.663  -8.116
  484    H    THR  60           HN       THR  60  -6.104  -3.934  -9.684
  485    HA   THR  60           HA       THR  60  -3.972  -5.438 -10.759
  486    HB   THR  60           HB       THR  60  -5.024  -2.720 -11.579
  487    HG1  THR  60           HG1      THR  60  -6.721  -4.101 -11.700
  488   HG21  THR  60          HG21      THR  60  -3.512  -4.814 -13.152
  489   HG22  THR  60          HG22      THR  60  -2.854  -3.277 -12.594
  490   HG23  THR  60          HG23      THR  60  -4.144  -3.298 -13.798
  491    H    ASP  61           HN       ASP  61  -4.007  -2.113  -9.503
  492    HA   ASP  61           HA       ASP  61  -1.284  -1.561  -9.949
  493    HB2  ASP  61           HB2      ASP  61  -3.268  -0.395  -8.042
  494    HB3  ASP  61           HB1      ASP  61  -1.569   0.019  -7.892
  495    H    LEU  62           HN       LEU  62  -2.860  -2.806  -7.065
  496    HA   LEU  62           HA       LEU  62  -0.555  -2.909  -5.398
  497    HB2  LEU  62           HB2      LEU  62  -2.969  -3.072  -4.673
  498    HB3  LEU  62           HB1      LEU  62  -2.954  -4.706  -5.290
  499    HG   LEU  62           HG       LEU  62  -0.980  -5.097  -3.716
  500   HD11  LEU  62          HD11      LEU  62  -2.088  -2.584  -2.510
  501   HD12  LEU  62          HD12      LEU  62  -0.478  -2.815  -3.195
  502   HD13  LEU  62          HD13      LEU  62  -0.946  -3.676  -1.732
  503   HD21  LEU  62          HD21      LEU  62  -3.706  -4.581  -2.551
  504   HD22  LEU  62          HD22      LEU  62  -2.456  -5.609  -1.850
  505   HD23  LEU  62          HD23      LEU  62  -3.210  -6.055  -3.380
  506    H    ASN  63           HN       ASN  63  -2.171  -5.333  -7.384
  507    HA   ASN  63           HA       ASN  63  -0.533  -7.430  -6.484
  508    HB2  ASN  63           HB2      ASN  63  -2.430  -7.219  -8.805
  509    HB3  ASN  63           HB1      ASN  63  -1.483  -8.662  -8.516
  510   HD21  ASN  63          HD21      ASN  63  -3.110  -6.646  -5.901
  511   HD22  ASN  63          HD22      ASN  63  -4.161  -7.934  -5.490
  512    H    ILE  64           HN       ILE  64  -0.190  -5.229  -9.185
  513    HA   ILE  64           HA       ILE  64   2.078  -6.894 -10.128
  514    HB   ILE  64           HB       ILE  64   2.068  -5.707 -12.243
  515   HG12  ILE  64          HG12      ILE  64  -0.306  -4.158 -11.159
  516   HG13  ILE  64          HG11      ILE  64   1.303  -3.503 -11.418
  517   HG21  ILE  64          HG21      ILE  64  -0.668  -6.695 -11.458
  518   HG22  ILE  64          HG22      ILE  64   0.678  -7.677 -12.036
  519   HG23  ILE  64          HG23      ILE  64  -0.083  -6.503 -13.110
  520   HD11  ILE  64          HD11      ILE  64  -0.218  -2.855 -13.197
  521   HD12  ILE  64          HD12      ILE  64  -0.542  -4.551 -13.552
  522   HD13  ILE  64          HD13      ILE  64   1.070  -3.885 -13.821
  523    H    ASP  65           HN       ASP  65   1.843  -4.391  -8.082
  524    HA   ASP  65           HA       ASP  65   3.970  -2.708  -8.993
  525    HB2  ASP  65           HB2      ASP  65   2.293  -2.041  -7.224
  526    HB3  ASP  65           HB1      ASP  65   3.109  -3.143  -6.121
  527    H    GLY  66           HN       GLY  66   6.090  -2.479  -8.104
  528    HA2  GLY  66           HA2      GLY  66   7.617  -4.871  -8.140
  529    HA3  GLY  66           HA1      GLY  66   8.190  -3.282  -7.676
  530    H    ARG  67           HN       ARG  67   5.940  -3.220  -5.642
  531    HA   ARG  67           HA       ARG  67   7.424  -4.783  -3.683
  532    HB2  ARG  67           HB2      ARG  67   5.314  -2.732  -2.999
  533    HB3  ARG  67           HB1      ARG  67   6.626  -3.321  -1.996
  534    HG2  ARG  67           HG2      ARG  67   6.754  -1.363  -4.274
  535    HG3  ARG  67           HG1      ARG  67   7.166  -1.103  -2.587
  536    HD2  ARG  67           HD2      ARG  67   8.669  -2.906  -4.481
  537    HD3  ARG  67           HD1      ARG  67   9.119  -1.251  -4.093
  538    HE   ARG  67           HE       ARG  67   9.319  -2.060  -1.752
  539   HH11  ARG  67          HH11      ARG  67   9.761  -4.323  -4.461
  540   HH12  ARG  67          HH12      ARG  67  10.886  -5.256  -3.633
  541   HH21  ARG  67          HH21      ARG  67  10.749  -3.254  -0.690
  542   HH22  ARG  67          HH22      ARG  67  11.508  -4.665  -1.329
  543    H    PHE  68           HN       PHE  68   5.223  -4.728  -1.891
  544    HA   PHE  68           HA       PHE  68   3.651  -6.154  -1.040
  545    HB2  PHE  68           HB2      PHE  68   2.246  -5.566  -3.633
  546    HB3  PHE  68           HB1      PHE  68   1.500  -5.973  -2.092
  547    HD1  PHE  68           HD2      PHE  68   3.332  -3.490  -3.943
  548    HD2  PHE  68           HD1      PHE  68   1.258  -4.348  -0.375
  549    HE1  PHE  68           HE2      PHE  68   3.261  -1.045  -3.411
  550    HE2  PHE  68           HE1      PHE  68   1.193  -1.953   0.193
  551    HZ   PHE  68           HZ       PHE  68   2.182  -0.310  -1.306
  552    H    LEU  69           HN       LEU  69   4.016  -8.286  -0.739
  553    HA   LEU  69           HA       LEU  69   3.447 -10.065  -3.017
  554    HB2  LEU  69           HB2      LEU  69   4.972 -11.693  -2.261
  555    HB3  LEU  69           HB1      LEU  69   5.852 -10.189  -2.214
  556    HG   LEU  69           HG       LEU  69   4.685 -11.593   0.203
  557   HD11  LEU  69          HD11      LEU  69   6.996 -12.238   0.664
  558   HD12  LEU  69          HD12      LEU  69   7.472 -11.513  -0.883
  559   HD13  LEU  69          HD13      LEU  69   6.383 -12.900  -0.858
  560   HD21  LEU  69          HD21      LEU  69   6.152 -10.114   1.498
  561   HD22  LEU  69          HD22      LEU  69   4.994  -9.174   0.559
  562   HD23  LEU  69          HD23      LEU  69   6.665  -9.316   0.012
  563    H    ALA  70           HN       ALA  70   2.069 -11.806  -2.575
  564    HA   ALA  70           HA       ALA  70   0.520 -11.598  -0.045
  565    HB1  ALA  70           HB1      ALA  70  -0.709 -11.906  -2.271
  566    HB2  ALA  70           HB2      ALA  70  -1.009 -13.183  -1.090
  567    HB3  ALA  70           HB3      ALA  70   0.118 -13.457  -2.418
  568    H    LEU  71           HN       LEU  71   0.526 -12.789   1.537
  569    HA   LEU  71           HA       LEU  71   2.870 -14.545   1.632
  570    HB2  LEU  71           HB2      LEU  71   1.548 -13.124   3.915
  571    HB3  LEU  71           HB1      LEU  71   2.730 -14.384   4.165
  572    HG   LEU  71           HG       LEU  71   4.357 -12.945   2.838
  573   HD11  LEU  71          HD11      LEU  71   2.257 -10.858   3.317
  574   HD12  LEU  71          HD12      LEU  71   2.738 -11.513   1.753
  575   HD13  LEU  71          HD13      LEU  71   3.890 -10.583   2.712
  576   HD21  LEU  71          HD21      LEU  71   4.457 -13.136   5.246
  577   HD22  LEU  71          HD22      LEU  71   3.230 -11.864   5.380
  578   HD23  LEU  71          HD23      LEU  71   4.819 -11.482   4.719
  579    H    SER  72           HN       SER  72   0.180 -14.807   3.962
  580    HA   SER  72           HA       SER  72   0.573 -17.683   3.741
  581    HB2  SER  72           HB2      SER  72   0.686 -16.645   5.968
  582    HB3  SER  72           HB1      SER  72  -0.950 -16.038   5.773
  583    HG   SER  72           HG       SER  72  -0.296 -18.791   5.686
  584    H    ASP  73           HN       ASP  73  -2.405 -15.547   4.078
  585    HA   ASP  73           HA       ASP  73  -3.520 -16.978   1.881
  586    HB2  ASP  73           HB2      ASP  73  -4.004 -18.511   3.765
  587    HB3  ASP  73           HB1      ASP  73  -4.765 -17.184   4.635
  588    H    GLN  74           HN       GLN  74  -4.144 -15.389   0.784
  589    HA   GLN  74           HA       GLN  74  -5.328 -13.663  -0.022
  590    HB2  GLN  74           HB2      GLN  74  -7.396 -13.060   0.881
  591    HB3  GLN  74           HB1      GLN  74  -7.158 -14.681   1.514
  592    HG2  GLN  74           HG2      GLN  74  -6.321 -13.705   3.614
  593    HG3  GLN  74           HG1      GLN  74  -6.655 -12.108   2.972
  594   HE21  GLN  74          HE21      GLN  74  -7.593 -13.323   5.327
  595   HE22  GLN  74          HE22      GLN  74  -9.298 -13.446   5.235
  596    H    THR  75           HN       THR  75  -3.437 -13.340   2.659
  597    HA   THR  75           HA       THR  75  -3.561 -10.555   3.230
  598    HB   THR  75           HB       THR  75  -1.462 -11.176   4.448
  599    HG1  THR  75           HG1      THR  75  -1.428 -13.078   2.834
  600   HG21  THR  75          HG21      THR  75  -3.899 -12.892   5.001
  601   HG22  THR  75          HG22      THR  75  -3.675 -11.232   5.547
  602   HG23  THR  75          HG23      THR  75  -2.627 -12.508   6.162
  603    H    TRP  76           HN       TRP  76  -2.085  -9.109   2.666
  604    HA   TRP  76           HA       TRP  76  -0.049  -9.657   0.630
  605    HB2  TRP  76           HB2      TRP  76  -1.908  -7.375   1.179
  606    HB3  TRP  76           HB1      TRP  76  -0.418  -7.188   0.253
  607    HD1  TRP  76           HD1      TRP  76  -3.928  -8.667  -0.006
  608    HE1  TRP  76           HE1      TRP  76  -4.280  -9.450  -2.453
  609    HE3  TRP  76           HE3      TRP  76   0.814  -8.050  -1.755
  610    HZ2  TRP  76           HZ2      TRP  76  -2.736  -9.754  -4.773
  611    HZ3  TRP  76           HZ3      TRP  76   1.294  -8.596  -4.092
  612    HH2  TRP  76           HH2      TRP  76  -0.454  -9.426  -5.570
  613    H    GLY  77           HN       GLY  77   1.864  -8.643   1.115
  614    HA2  GLY  77           HA2      GLY  77   1.992  -7.025   3.529
  615    HA3  GLY  77           HA1      GLY  77   3.010  -8.467   3.451
  616    H    LEU  78           HN       LEU  78   3.804  -5.745   3.575
  617    HA   LEU  78           HA       LEU  78   4.676  -5.063   0.934
  618    HB2  LEU  78           HB2      LEU  78   5.370  -3.999   3.577
  619    HB3  LEU  78           HB1      LEU  78   6.629  -3.866   2.374
  620    HG   LEU  78           HG       LEU  78   3.854  -2.697   2.186
  621   HD11  LEU  78          HD11      LEU  78   5.050  -0.565   2.312
  622   HD12  LEU  78          HD12      LEU  78   6.572  -1.437   2.506
  623   HD13  LEU  78          HD13      LEU  78   5.328  -1.546   3.751
  624   HD21  LEU  78          HD21      LEU  78   4.676  -1.586   0.174
  625   HD22  LEU  78          HD22      LEU  78   4.621  -3.330  -0.036
  626   HD23  LEU  78          HD23      LEU  78   6.169  -2.521   0.255
  627    H    ARG  79           HN       ARG  79   6.314  -5.576  -0.257
  628    HA   ARG  79           HA       ARG  79   8.042  -7.788   0.372
  629    HB2  ARG  79           HB2      ARG  79   7.715  -5.938  -1.967
  630    HB3  ARG  79           HB1      ARG  79   9.141  -6.951  -1.875
  631    HG2  ARG  79           HG2      ARG  79   7.796  -8.939  -1.939
  632    HG3  ARG  79           HG1      ARG  79   6.315  -7.989  -1.799
  633    HD2  ARG  79           HD2      ARG  79   6.554  -7.086  -3.941
  634    HD3  ARG  79           HD1      ARG  79   8.233  -7.641  -4.102
  635    HE   ARG  79           HE       ARG  79   7.000  -9.965  -3.879
  636   HH11  ARG  79          HH11      ARG  79   5.791  -7.207  -5.792
  637   HH12  ARG  79          HH12      ARG  79   5.182  -8.198  -7.024
  638   HH21  ARG  79          HH21      ARG  79   6.087 -11.262  -5.543
  639   HH22  ARG  79          HH22      ARG  79   5.340 -10.540  -6.890
  640    H    SER  80           HN       SER  80   8.111  -4.950   1.635
  641    HA   SER  80           HA       SER  80  10.712  -3.938   1.256
  642    HB2  SER  80           HB2      SER  80   8.725  -3.401   3.434
  643    HB3  SER  80           HB1      SER  80   9.933  -2.303   2.749
  644    HG   SER  80           HG       SER  80   8.855  -2.189   0.909
  645    H    TRP  81           HN       TRP  81   9.200  -6.291   3.331
  646    HA   TRP  81           HA       TRP  81  11.412  -6.064   5.249
  647    HB2  TRP  81           HB2      TRP  81   8.913  -7.736   5.585
  648    HB3  TRP  81           HB1      TRP  81   9.986  -7.122   6.844
  649    HD1  TRP  81           HD1      TRP  81  10.137  -4.081   6.284
  650    HE1  TRP  81           HE1      TRP  81   8.063  -2.552   6.317
  651    HE3  TRP  81           HE3      TRP  81   6.507  -7.659   5.752
  652    HZ2  TRP  81           HZ2      TRP  81   5.274  -2.859   6.193
  653    HZ3  TRP  81           HZ3      TRP  81   4.165  -6.943   5.733
  654    HH2  TRP  81           HH2      TRP  81   3.567  -4.593   5.954
  655    H    TYR  82           HN       TYR  82  11.461  -7.176   2.593
  656    HA   TYR  82           HA       TYR  82  12.754  -9.689   3.104
  657    HB2  TYR  82           HB2      TYR  82  10.445 -10.267   2.374
  658    HB3  TYR  82           HB1      TYR  82  10.567  -9.125   1.049
  659    HD1  TYR  82           HD2      TYR  82  11.660 -12.414   2.299
  660    HD2  TYR  82           HD1      TYR  82  11.671  -9.710  -0.960
  661    HE1  TYR  82           HE2      TYR  82  12.485 -14.207   0.819
  662    HE2  TYR  82           HE1      TYR  82  12.471 -11.426  -2.439
  663    HH   TYR  82           HH       TYR  82  13.765 -13.579  -2.209
  664    HA   PRO  83           HA       PRO  83  15.775  -7.401   0.541
  665    HB2  PRO  83           HB2      PRO  83  16.044  -9.999  -0.891
  666    HB3  PRO  83           HB1      PRO  83  17.304  -8.957  -0.221
  667    HG2  PRO  83           HG2      PRO  83  16.647 -11.190   1.035
  668    HG3  PRO  83           HG1      PRO  83  16.953  -9.703   1.951
  669    HD2  PRO  83           HD2      PRO  83  14.354 -11.022   1.301
  670    HD3  PRO  83           HD1      PRO  83  14.852 -10.157   2.771
  671    H    TYR  84           HN       TYR  84  15.412  -6.172  -0.995
  672    HA   TYR  84           HA       TYR  84  14.869  -6.762  -3.580
  673    HB2  TYR  84           HB2      TYR  84  12.343  -6.171  -2.071
  674    HB3  TYR  84           HB1      TYR  84  12.569  -5.418  -3.636
  675    HD1  TYR  84           HD2      TYR  84  13.450  -7.290  -5.449
  676    HD2  TYR  84           HD1      TYR  84  10.978  -8.008  -2.070
  677    HE1  TYR  84           HE2      TYR  84  12.533  -9.287  -6.544
  678    HE2  TYR  84           HE1      TYR  84  10.053  -9.978  -3.138
  679    HH   TYR  84           HH       TYR  84  11.500 -11.446  -5.697
  680    H    ASP  85           HN       ASP  85  16.648  -5.300  -3.293
  681    HA   ASP  85           HA       ASP  85  17.686  -3.241  -3.582
  682    HB2  ASP  85           HB2      ASP  85  16.490  -1.480  -4.827
  683    HB3  ASP  85           HB1      ASP  85  16.511  -3.026  -5.632
  684    H    GLN  86           HN       GLN  86  14.663  -2.147  -2.141
  685    HA   GLN  86           HA       GLN  86  16.365  -0.333  -0.610
  686    HB2  GLN  86           HB2      GLN  86  13.372  -0.694  -0.533
  687    HB3  GLN  86           HB1      GLN  86  14.286   0.653   0.142
  688    HG2  GLN  86           HG2      GLN  86  14.557   1.634  -1.844
  689    HG3  GLN  86           HG1      GLN  86  14.648   0.065  -2.715
  690   HE21  GLN  86          HE21      GLN  86  12.726  -0.980  -3.087
  691   HE22  GLN  86          HE22      GLN  86  11.228  -0.120  -3.233
  692    H    LEU  87           HN       LEU  87  13.659  -2.340   0.287
  693    HA   LEU  87           HA       LEU  87  13.140  -3.725   2.055
  694    HB2  LEU  87           HB2      LEU  87  15.378  -4.671   1.473
  695    HB3  LEU  87           HB1      LEU  87  16.031  -3.677   2.777
  696    HG   LEU  87           HG       LEU  87  14.011  -5.926   3.205
  697   HD11  LEU  87          HD11      LEU  87  16.983  -5.975   3.649
  698   HD12  LEU  87          HD12      LEU  87  16.121  -6.805   2.359
  699   HD13  LEU  87          HD13      LEU  87  15.839  -7.259   4.038
  700   HD21  LEU  87          HD21      LEU  87  14.028  -4.234   5.000
  701   HD22  LEU  87          HD22      LEU  87  15.767  -4.460   5.192
  702   HD23  LEU  87          HD23      LEU  87  14.660  -5.781   5.562
  703    H    ASP  88           HN       ASP  88  12.018  -2.509   3.118
  704    HA   ASP  88           HA       ASP  88  11.170  -1.071   4.830
  705    HB2  ASP  88           HB2      ASP  88  12.901  -2.487   6.321
  706    HB3  ASP  88           HB1      ASP  88  13.950  -1.106   6.050
  707    H    GLU  89           HN       GLU  89  10.640   0.026   3.458
  708    HA   GLU  89           HA       GLU  89  12.439   1.771   2.142
  709    HB2  GLU  89           HB2      GLU  89   9.556   1.038   1.842
  710    HB3  GLU  89           HB1      GLU  89  10.383   2.204   0.806
  711    HG2  GLU  89           HG2      GLU  89  11.817   0.615  -0.057
  712    HG3  GLU  89           HG1      GLU  89  11.497  -0.524   1.245
  713    H    GLU  90           HN       GLU  90  11.453   2.259   5.104
  714    HA   GLU  90           HA       GLU  90  10.172   4.783   4.532
  715    HB2  GLU  90           HB2      GLU  90  10.100   5.183   6.967
  716    HB3  GLU  90           HB1      GLU  90   9.329   3.692   6.475
  717    HG2  GLU  90           HG2      GLU  90  11.392   2.495   7.184
  718    HG3  GLU  90           HG1      GLU  90  11.964   4.031   7.855
  719    H    THR  91           HN       THR  91  13.074   3.730   4.486
  720    HA   THR  91           HA       THR  91  14.409   6.279   5.056
  721    HB   THR  91           HB       THR  91  16.449   5.144   4.118
  722    HG1  THR  91           HG1      THR  91  16.029   3.541   2.862
  723   HG21  THR  91          HG21      THR  91  14.992   3.522   6.222
  724   HG22  THR  91          HG22      THR  91  15.962   4.961   6.530
  725   HG23  THR  91          HG23      THR  91  16.731   3.494   5.922
  726    H    GLN  92           HN       GLN  92  12.584   4.850   2.711
  727    HA   GLN  92           HA       GLN  92  13.763   6.267   0.443
  728    HB2  GLN  92           HB2      GLN  92  11.987   3.855   0.619
  729    HB3  GLN  92           HB1      GLN  92  12.256   4.711  -0.891
  730    HG2  GLN  92           HG2      GLN  92  14.447   3.525   0.795
  731    HG3  GLN  92           HG1      GLN  92  13.694   2.710  -0.569
  732   HE21  GLN  92          HE21      GLN  92  13.986   3.539  -2.593
  733   HE22  GLN  92          HE22      GLN  92  15.290   4.585  -3.041
  734    H    LEU  93           HN       LEU  93  10.478   5.334   1.587
  735    HA   LEU  93           HA       LEU  93   8.815   6.612   2.327
  736    HB2  LEU  93           HB2      LEU  93  10.375   9.015   1.382
  737    HB3  LEU  93           HB1      LEU  93   8.801   9.111   2.147
  738    HG   LEU  93           HG       LEU  93  11.275   7.970   3.448
  739   HD11  LEU  93          HD11      LEU  93  11.465  10.361   3.066
  740   HD12  LEU  93          HD12      LEU  93  11.288   9.980   4.776
  741   HD13  LEU  93          HD13      LEU  93   9.913  10.621   3.869
  742   HD21  LEU  93          HD21      LEU  93   9.222   6.982   4.314
  743   HD22  LEU  93          HD22      LEU  93   8.529   8.586   4.542
  744   HD23  LEU  93          HD23      LEU  93   9.921   8.085   5.499
  745    H    GLU  94           HN       GLU  94   7.484   5.625   1.136
  746    HA   GLU  94           HA       GLU  94   6.556   4.717  -0.643
  747    HB2  GLU  94           HB2      GLU  94   5.520   7.244  -0.471
  748    HB3  GLU  94           HB1      GLU  94   6.248   7.329  -2.072
  749    HG2  GLU  94           HG2      GLU  94   4.183   5.332  -1.151
  750    HG3  GLU  94           HG1      GLU  94   3.889   6.672  -2.245
  751    H    HIS  95           HN       HIS  95   6.995   3.807  -2.558
  752    HA   HIS  95           HA       HIS  95   9.820   4.165  -2.837
  753    HB2  HIS  95           HB2      HIS  95  10.110   2.008  -3.465
  754    HB3  HIS  95           HB1      HIS  95   8.738   1.929  -2.440
  755    HD1  HIS  95           HD1      HIS  95   9.651   0.820  -5.843
  756    HD2  HIS  95           HD2      HIS  95   6.148   1.768  -3.792
  757    HE1  HIS  95           HE1      HIS  95   7.820  -0.180  -7.162
  758    HE2  HIS  95           HE2      HIS  95   5.807   0.062  -5.759
  759    H    HIS  96           HN       HIS  96  10.191   5.819  -3.909
  760    HA   HIS  96           HA       HIS  96   9.324   6.067  -6.629
  761    HB2  HIS  96           HB2      HIS  96  11.360   7.677  -5.057
  762    HB3  HIS  96           HB1      HIS  96  10.818   8.045  -6.692
  763    HD1  HIS  96           HD1      HIS  96   8.203   8.663  -6.936
  764    HD2  HIS  96           HD2      HIS  96   9.721   8.603  -3.070
  765    HE1  HIS  96           HE1      HIS  96   6.514   9.834  -5.535
  766    HE2  HIS  96           HE2      HIS  96   7.356   9.641  -3.193
  767    H    HIS  97           HN       HIS  97  11.937   5.170  -4.578
  768    HA   HIS  97           HA       HIS  97  13.627   3.740  -4.677
  769    HB2  HIS  97           HB2      HIS  97  12.144   2.153  -5.720
  770    HB3  HIS  97           HB1      HIS  97  12.297   2.943  -7.276
  771    HD1  HIS  97           HD1      HIS  97  13.516   1.425  -8.801
  772    HD2  HIS  97           HD2      HIS  97  15.035   1.254  -4.935
  773    HE1  HIS  97           HE1      HIS  97  15.443  -0.150  -8.908
  774    HE2  HIS  97           HE2      HIS  97  16.479  -0.051  -6.637
  775    H    HIS  98           HN       HIS  98  13.482   4.439  -8.065
  776    HA   HIS  98           HA       HIS  98  15.195   6.327  -8.660
  777    HB2  HIS  98           HB2      HIS  98  16.701   3.899  -7.773
  778    HB3  HIS  98           HB1      HIS  98  17.149   4.479  -9.367
  779    HD1  HIS  98           HD1      HIS  98  17.932   7.110  -9.377
  780    HD2  HIS  98           HD2      HIS  98  17.986   5.165  -5.709
  781    HE1  HIS  98           HE1      HIS  98  19.421   8.488  -7.902
  782    HE2  HIS  98           HE2      HIS  98  19.695   7.095  -5.848
  783    H    HIS  99           HN       HIS  99  16.179   5.474 -11.032
  784    HA   HIS  99           HA       HIS  99  13.812   4.329 -12.166
  785    HB2  HIS  99           HB2      HIS  99  15.192   6.093 -13.347
  786    HB3  HIS  99           HB1      HIS  99  16.411   4.858 -13.625
  787    HD1  HIS  99           HD1      HIS  99  12.802   5.641 -14.518
  788    HD2  HIS  99           HD2      HIS  99  15.921   3.216 -15.804
  789    HE1  HIS  99           HE1      HIS  99  12.042   4.633 -16.676
  790    HE2  HIS  99           HE2      HIS  99  14.080   3.454 -17.552
  791    H    HIS 100           HN       HIS 100  17.166   3.311 -11.690
  792    HA   HIS 100           HA       HIS 100  16.255   0.619 -11.299
  793    HB2  HIS 100           HB2      HIS 100  18.329   1.272 -13.429
  794    HB3  HIS 100           HB1      HIS 100  18.175  -0.313 -12.704
  795    HD1  HIS 100           HD1      HIS 100  17.311   1.317 -15.641
  796    HD2  HIS 100           HD2      HIS 100  15.216  -1.152 -13.053
  797    HE1  HIS 100           HE1      HIS 100  15.374   0.421 -16.975
  798    HE2  HIS 100           HE2      HIS 100  13.948  -0.637 -15.220
  Start of MODEL    4
    1    H1   GLY   2           HT1      GLY   2  -3.930  12.427   7.391
    2    H2   GLY   2           HT2      GLY   2  -2.368  12.395   8.046
    3    H3   GLY   2           HT3      GLY   2  -3.520  11.277   8.564
    4    HA2  GLY   2           HA1      GLY   2  -3.534  10.209   6.435
    5    HA3  GLY   2           HA2      GLY   2  -2.352  11.393   5.876
    6    H    ILE   3           HN       ILE   3  -1.494   8.921   5.650
    7    HA   ILE   3           HA       ILE   3  -0.210   7.784   7.803
    8    HB   ILE   3           HB       ILE   3   0.774   8.008   4.895
    9   HG12  ILE   3          HG12      ILE   3  -0.338   5.547   6.071
   10   HG13  ILE   3          HG11      ILE   3  -1.489   6.746   5.524
   11   HG21  ILE   3          HG21      ILE   3   2.668   7.379   6.282
   12   HG22  ILE   3          HG22      ILE   3   2.164   6.006   5.291
   13   HG23  ILE   3          HG23      ILE   3   1.731   6.069   6.997
   14   HD11  ILE   3          HD11      ILE   3  -1.142   5.069   3.846
   15   HD12  ILE   3          HD12      ILE   3   0.606   5.274   3.944
   16   HD13  ILE   3          HD13      ILE   3  -0.397   6.563   3.279
   17    H    LYS   4           HN       LYS   4   2.298   8.072   8.294
   18    HA   LYS   4           HA       LYS   4   2.584  10.769   9.177
   19    HB2  LYS   4           HB2      LYS   4   4.555   8.518   9.246
   20    HB3  LYS   4           HB1      LYS   4   4.765  10.048  10.081
   21    HG2  LYS   4           HG2      LYS   4   2.723   9.506  11.407
   22    HG3  LYS   4           HG1      LYS   4   2.671   7.933  10.598
   23    HD2  LYS   4           HD2      LYS   4   4.973   7.497  11.411
   24    HD3  LYS   4           HD1      LYS   4   4.909   9.006  12.312
   25    HE2  LYS   4           HE2      LYS   4   4.422   7.168  13.795
   26    HE3  LYS   4           HE1      LYS   4   2.966   8.129  13.566
   27    HZ1  LYS   4           HZ1      LYS   4   3.548   5.641  12.047
   28    HZ2  LYS   4           HZ2      LYS   4   2.101   6.491  12.067
   29    HZ3  LYS   4           HZ3      LYS   4   2.614   5.682  13.448
   30    H    GLN   5           HN       GLN   5   2.859  10.190   6.236
   31    HA   GLN   5           HA       GLN   5   5.349  11.661   5.745
   32    HB2  GLN   5           HB2      GLN   5   5.640   9.249   5.391
   33    HB3  GLN   5           HB1      GLN   5   4.318   9.275   4.242
   34    HG2  GLN   5           HG2      GLN   5   6.440   9.215   3.141
   35    HG3  GLN   5           HG1      GLN   5   5.604  10.726   2.781
   36   HE21  GLN   5          HE21      GLN   5   6.391  12.636   3.611
   37   HE22  GLN   5          HE22      GLN   5   7.971  12.741   4.300
   38    H    TYR   6           HN       TYR   6   1.984  10.912   4.890
   39    HA   TYR   6           HA       TYR   6   2.131  13.016   2.890
   40    HB2  TYR   6           HB2      TYR   6   0.741  10.369   2.551
   41    HB3  TYR   6           HB1      TYR   6   0.507  11.757   1.490
   42    HD1  TYR   6           HD2      TYR   6   2.614  12.761   0.450
   43    HD2  TYR   6           HD1      TYR   6   2.435   8.836   2.078
   44    HE1  TYR   6           HE2      TYR   6   4.599  12.151  -0.853
   45    HE2  TYR   6           HE1      TYR   6   4.461   8.234   0.754
   46    HH   TYR   6           HH       TYR   6   5.477   9.091  -1.423
   47    H    SER   7           HN       SER   7   0.680  14.491   3.007
   48    HA   SER   7           HA       SER   7  -1.364  14.598   5.024
   49    HB2  SER   7           HB2      SER   7  -1.042  16.329   2.573
   50    HB3  SER   7           HB1      SER   7  -1.752  16.769   4.125
   51    HG   SER   7           HG       SER   7   0.147  17.397   4.676
   52    H    GLN   8           HN       GLN   8  -3.654  15.053   4.486
   53    HA   GLN   8           HA       GLN   8  -4.763  12.839   3.338
   54    HB2  GLN   8           HB2      GLN   8  -5.744  14.418   5.047
   55    HB3  GLN   8           HB1      GLN   8  -6.117  15.493   3.707
   56    HG2  GLN   8           HG2      GLN   8  -8.095  14.258   4.156
   57    HG3  GLN   8           HG1      GLN   8  -7.330  13.644   2.676
   58   HE21  GLN   8          HE21      GLN   8  -6.569  11.551   2.606
   59   HE22  GLN   8          HE22      GLN   8  -6.822  10.429   3.906
   60    H    GLU   9           HN       GLU   9  -4.291  16.124   1.934
   61    HA   GLU   9           HA       GLU   9  -5.750  15.715  -0.415
   62    HB2  GLU   9           HB2      GLU   9  -3.239  17.398  -0.294
   63    HB3  GLU   9           HB1      GLU   9  -4.582  17.573  -1.400
   64    HG2  GLU   9           HG2      GLU   9  -4.890  19.323   0.034
   65    HG3  GLU   9           HG1      GLU   9  -5.934  18.091   0.744
   66    H    GLU  10           HN       GLU  10  -2.458  15.032   0.403
   67    HA   GLU  10           HA       GLU  10  -1.439  14.480  -2.158
   68    HB2  GLU  10           HB2      GLU  10  -0.615  13.310   0.496
   69    HB3  GLU  10           HB1      GLU  10   0.341  13.293  -0.978
   70    HG2  GLU  10           HG2      GLU  10  -0.475  15.706   0.601
   71    HG3  GLU  10           HG1      GLU  10   1.134  14.984   0.545
   72    H    LEU  11           HN       LEU  11  -2.630  12.442   0.418
   73    HA   LEU  11           HA       LEU  11  -2.228  10.097  -0.947
   74    HB2  LEU  11           HB2      LEU  11  -3.921  10.756   1.404
   75    HB3  LEU  11           HB1      LEU  11  -3.869   9.122   0.788
   76    HG   LEU  11           HG       LEU  11  -1.455  10.700   1.737
   77   HD11  LEU  11          HD11      LEU  11  -2.985  10.231   3.575
   78   HD12  LEU  11          HD12      LEU  11  -1.497   9.295   3.704
   79   HD13  LEU  11          HD13      LEU  11  -2.977   8.523   3.134
   80   HD21  LEU  11          HD21      LEU  11  -1.768   7.779   1.047
   81   HD22  LEU  11          HD22      LEU  11  -0.327   8.520   1.733
   82   HD23  LEU  11          HD23      LEU  11  -0.860   8.975   0.120
   83    H    LYS  12           HN       LYS  12  -5.223  12.056  -0.775
   84    HA   LYS  12           HA       LYS  12  -6.710  10.096  -2.182
   85    HB2  LYS  12           HB2      LYS  12  -8.431  11.902  -2.399
   86    HB3  LYS  12           HB1      LYS  12  -7.966  11.539  -0.748
   87    HG2  LYS  12           HG2      LYS  12  -6.424  13.457  -0.873
   88    HG3  LYS  12           HG1      LYS  12  -7.206  13.935  -2.394
   89    HD2  LYS  12           HD2      LYS  12  -8.538  13.624   0.319
   90    HD3  LYS  12           HD1      LYS  12  -8.214  15.142  -0.507
   91    HE2  LYS  12           HE2      LYS  12  -9.787  14.572  -2.257
   92    HE3  LYS  12           HE1      LYS  12 -10.026  12.969  -1.570
   93    HZ1  LYS  12           HZ1      LYS  12 -10.784  15.539  -0.272
   94    HZ2  LYS  12           HZ2      LYS  12 -10.987  14.002   0.399
   95    HZ3  LYS  12           HZ3      LYS  12 -11.825  14.428  -0.989
   96    H    GLU  13           HN       GLU  13  -4.214  11.877  -3.244
   97    HA   GLU  13           HA       GLU  13  -5.282  11.720  -5.945
   98    HB2  GLU  13           HB2      GLU  13  -3.308  13.722  -4.875
   99    HB3  GLU  13           HB1      GLU  13  -3.595  13.459  -6.590
  100    HG2  GLU  13           HG2      GLU  13  -6.002  13.970  -6.158
  101    HG3  GLU  13           HG1      GLU  13  -5.520  14.465  -4.538
  102    H    MET  14           HN       MET  14  -3.626  10.029  -3.966
  103    HA   MET  14           HA       MET  14  -1.528   9.343  -5.858
  104    HB2  MET  14           HB2      MET  14  -1.901   8.656  -2.924
  105    HB3  MET  14           HB1      MET  14  -0.673   7.930  -3.946
  106    HG2  MET  14           HG2      MET  14   0.407  10.067  -4.248
  107    HG3  MET  14           HG1      MET  14  -0.887  10.879  -3.377
  108    HE1  MET  14           HE1      MET  14   2.099   7.968  -1.380
  109    HE2  MET  14           HE2      MET  14   2.114   8.351  -3.102
  110    HE3  MET  14           HE3      MET  14   0.788   7.412  -2.417
  111    H    ALA  15           HN       ALA  15  -1.338   7.083  -6.296
  112    HA   ALA  15           HA       ALA  15  -3.822   5.847  -6.943
  113    HB1  ALA  15           HB1      ALA  15  -1.765   5.397  -8.195
  114    HB2  ALA  15           HB2      ALA  15  -2.447   3.909  -7.532
  115    HB3  ALA  15           HB3      ALA  15  -1.052   4.660  -6.760
  116    H    LEU  16           HN       LEU  16  -4.997   4.284  -5.831
  117    HA   LEU  16           HA       LEU  16  -4.839   4.205  -3.093
  118    HB2  LEU  16           HB2      LEU  16  -6.045   2.098  -4.887
  119    HB3  LEU  16           HB1      LEU  16  -6.287   2.125  -3.155
  120    HG   LEU  16           HG       LEU  16  -7.285   4.139  -5.167
  121   HD11  LEU  16          HD11      LEU  16  -8.464   2.018  -5.189
  122   HD12  LEU  16          HD12      LEU  16  -9.481   3.293  -4.518
  123   HD13  LEU  16          HD13      LEU  16  -8.709   2.122  -3.448
  124   HD21  LEU  16          HD21      LEU  16  -7.624   4.063  -2.165
  125   HD22  LEU  16          HD22      LEU  16  -8.480   5.143  -3.262
  126   HD23  LEU  16          HD23      LEU  16  -6.731   5.279  -3.083
  127    H    VAL  17           HN       VAL  17  -3.267   2.133  -5.398
  128    HA   VAL  17           HA       VAL  17  -2.400   0.215  -3.556
  129    HB   VAL  17           HB       VAL  17  -0.836  -0.551  -5.210
  130   HG11  VAL  17          HG11      VAL  17  -3.116  -1.134  -5.639
  131   HG12  VAL  17          HG12      VAL  17  -2.268  -0.878  -7.163
  132   HG13  VAL  17          HG13      VAL  17  -3.363   0.356  -6.546
  133   HG21  VAL  17          HG21      VAL  17  -0.427   0.669  -7.335
  134   HG22  VAL  17          HG22      VAL  17   0.187   1.523  -5.920
  135   HG23  VAL  17          HG23      VAL  17  -1.316   2.046  -6.679
  136    H    GLU  18           HN       GLU  18  -1.169   3.466  -4.291
  137    HA   GLU  18           HA       GLU  18   1.322   2.907  -3.036
  138    HB2  GLU  18           HB2      GLU  18   0.172   5.345  -4.337
  139    HB3  GLU  18           HB1      GLU  18   1.721   5.352  -3.502
  140    HG2  GLU  18           HG2      GLU  18   1.004   3.584  -5.835
  141    HG3  GLU  18           HG1      GLU  18   1.966   5.056  -5.914
  142    H    ILE  19           HN       ILE  19  -1.790   4.381  -2.196
  143    HA   ILE  19           HA       ILE  19  -0.969   5.425   0.300
  144    HB   ILE  19           HB       ILE  19  -3.618   4.043  -0.337
  145   HG12  ILE  19          HG12      ILE  19  -2.911   6.983  -0.623
  146   HG13  ILE  19          HG11      ILE  19  -3.136   5.862  -1.956
  147   HG21  ILE  19          HG21      ILE  19  -2.882   6.083   1.769
  148   HG22  ILE  19          HG22      ILE  19  -3.242   4.384   2.047
  149   HG23  ILE  19          HG23      ILE  19  -4.515   5.473   1.483
  150   HD11  ILE  19          HD11      ILE  19  -5.239   6.704   0.023
  151   HD12  ILE  19          HD12      ILE  19  -5.477   5.571  -1.305
  152   HD13  ILE  19          HD13      ILE  19  -5.095   7.263  -1.642
  153    H    ALA  20           HN       ALA  20  -2.170   2.319  -0.805
  154    HA   ALA  20           HA       ALA  20  -2.091   0.930   1.611
  155    HB1  ALA  20           HB1      ALA  20  -1.649  -0.175  -1.154
  156    HB2  ALA  20           HB2      ALA  20  -3.217   0.129  -0.422
  157    HB3  ALA  20           HB3      ALA  20  -2.143  -1.097   0.268
  158    H    HIS  21           HN       HIS  21   0.422   1.508  -0.812
  159    HA   HIS  21           HA       HIS  21   2.317  -0.204   0.069
  160    HB2  HIS  21           HB2      HIS  21   2.036   0.947  -2.066
  161    HB3  HIS  21           HB1      HIS  21   2.440   2.455  -1.269
  162    HD1  HIS  21           HD1      HIS  21   4.085   2.078  -3.378
  163    HD2  HIS  21           HD2      HIS  21   4.802  -0.028   0.098
  164    HE1  HIS  21           HE1      HIS  21   6.547   1.449  -3.410
  165    HE2  HIS  21           HE2      HIS  21   6.833   0.775  -0.998
  166    H    GLU  22           HN       GLU  22   2.044   3.378   0.651
  167    HA   GLU  22           HA       GLU  22   4.069   3.370   2.587
  168    HB2  GLU  22           HB2      GLU  22   1.866   5.303   1.994
  169    HB3  GLU  22           HB1      GLU  22   2.940   5.549   3.363
  170    HG2  GLU  22           HG2      GLU  22   3.915   5.139   0.586
  171    HG3  GLU  22           HG1      GLU  22   3.487   6.724   1.241
  172    H    LEU  23           HN       LEU  23   0.652   2.761   2.849
  173    HA   LEU  23           HA       LEU  23   0.415   2.867   5.645
  174    HB2  LEU  23           HB2      LEU  23  -1.458   2.711   3.967
  175    HB3  LEU  23           HB1      LEU  23  -1.052   1.026   3.743
  176    HG   LEU  23           HG       LEU  23  -1.634   0.604   6.111
  177   HD11  LEU  23          HD11      LEU  23  -2.559   3.475   6.070
  178   HD12  LEU  23          HD12      LEU  23  -1.234   2.816   7.035
  179   HD13  LEU  23          HD13      LEU  23  -2.890   2.306   7.346
  180   HD21  LEU  23          HD21      LEU  23  -3.804   1.901   4.467
  181   HD22  LEU  23          HD22      LEU  23  -4.052   0.787   5.813
  182   HD23  LEU  23          HD23      LEU  23  -3.261   0.229   4.338
  183    H    PHE  24           HN       PHE  24   1.412   0.344   3.489
  184    HA   PHE  24           HA       PHE  24   1.812  -1.676   5.511
  185    HB2  PHE  24           HB2      PHE  24   2.394  -1.389   2.662
  186    HB3  PHE  24           HB1      PHE  24   3.433  -2.460   3.582
  187    HD1  PHE  24           HD1      PHE  24   2.550  -4.490   4.535
  188    HD2  PHE  24           HD2      PHE  24   0.111  -1.913   2.239
  189    HE1  PHE  24           HE1      PHE  24   0.911  -6.290   4.252
  190    HE2  PHE  24           HE2      PHE  24  -1.522  -3.697   1.964
  191    HZ   PHE  24           HZ       PHE  24  -1.129  -5.898   2.968
  192    H    GLU  25           HN       GLU  25   3.864   0.683   3.913
  193    HA   GLU  25           HA       GLU  25   6.269  -0.177   5.115
  194    HB2  GLU  25           HB2      GLU  25   5.406   2.317   3.680
  195    HB3  GLU  25           HB1      GLU  25   7.021   2.221   4.330
  196    HG2  GLU  25           HG2      GLU  25   5.878   0.219   2.400
  197    HG3  GLU  25           HG1      GLU  25   6.786   1.642   1.913
  198    H    GLU  26           HN       GLU  26   3.744   1.929   6.050
  199    HA   GLU  26           HA       GLU  26   4.955   3.022   8.380
  200    HB2  GLU  26           HB2      GLU  26   3.106   4.092   7.139
  201    HB3  GLU  26           HB1      GLU  26   2.058   2.757   7.570
  202    HG2  GLU  26           HG2      GLU  26   1.614   4.700   8.945
  203    HG3  GLU  26           HG1      GLU  26   2.241   3.376   9.925
  204    H    HIS  27           HN       HIS  27   2.775   0.366   7.663
  205    HA   HIS  27           HA       HIS  27   2.527  -0.336  10.410
  206    HB2  HIS  27           HB2      HIS  27   1.534  -1.759   7.974
  207    HB3  HIS  27           HB1      HIS  27   1.436  -2.498   9.568
  208    HD1  HIS  27           HD1      HIS  27   0.317  -0.570  11.371
  209    HD2  HIS  27           HD2      HIS  27  -0.777  -0.593   7.390
  210    HE1  HIS  27           HE1      HIS  27  -1.851   0.679  11.274
  211    HE2  HIS  27           HE2      HIS  27  -2.642   0.241   8.935
  212    H    LYS  28           HN       LYS  28   4.550  -1.768   7.824
  213    HA   LYS  28           HA       LYS  28   6.270  -3.723   8.106
  214    HB2  LYS  28           HB2      LYS  28   6.255  -2.752  10.960
  215    HB3  LYS  28           HB1      LYS  28   7.490  -3.650  10.114
  216    HG2  LYS  28           HG2      LYS  28   8.514  -1.605  10.388
  217    HG3  LYS  28           HG1      LYS  28   7.800  -1.395   8.792
  218    HD2  LYS  28           HD2      LYS  28   5.908  -0.217   9.801
  219    HD3  LYS  28           HD1      LYS  28   6.605  -0.458  11.399
  220    HE2  LYS  28           HE2      LYS  28   8.586   0.869  10.671
  221    HE3  LYS  28           HE1      LYS  28   7.770   1.173   9.138
  222    HZ1  LYS  28           HZ1      LYS  28   5.956   2.220  10.423
  223    HZ2  LYS  28           HZ2      LYS  28   7.423   3.034  10.637
  224    HZ3  LYS  28           HZ3      LYS  28   6.844   2.007  11.830
  225    H    LYS  29           HN       LYS  29   3.438  -3.959   8.336
  226    HA   LYS  29           HA       LYS  29   3.740  -6.687   9.290
  227    HB2  LYS  29           HB2      LYS  29   2.743  -5.711  11.158
  228    HB3  LYS  29           HB1      LYS  29   1.994  -4.515  10.122
  229    HG2  LYS  29           HG2      LYS  29   0.947  -7.317  10.197
  230    HG3  LYS  29           HG1      LYS  29   0.492  -6.137  11.427
  231    HD2  LYS  29           HD2      LYS  29  -0.202  -4.596   9.547
  232    HD3  LYS  29           HD1      LYS  29   0.105  -5.923   8.453
  233    HE2  LYS  29           HE2      LYS  29  -2.324  -5.748   9.090
  234    HE3  LYS  29           HE1      LYS  29  -1.603  -7.296   9.509
  235    HZ1  LYS  29           HZ1      LYS  29  -1.482  -6.611  11.799
  236    HZ2  LYS  29           HZ2      LYS  29  -3.040  -6.348  11.250
  237    HZ3  LYS  29           HZ3      LYS  29  -1.993  -5.054  11.423
  238    HA   PRO  30           HA       PRO  30   1.403  -7.659   5.476
  239    HB2  PRO  30           HB2      PRO  30   0.686 -10.190   6.735
  240    HB3  PRO  30           HB1      PRO  30   1.839  -9.878   5.433
  241    HG2  PRO  30           HG2      PRO  30   2.782 -10.642   7.827
  242    HG3  PRO  30           HG1      PRO  30   3.555  -9.297   6.939
  243    HD2  PRO  30           HD2      PRO  30   1.462  -9.060   9.015
  244    HD3  PRO  30           HD1      PRO  30   3.141  -8.449   9.045
  245    H    VAL  31           HN       VAL  31  -0.828  -7.414   4.784
  246    HA   VAL  31           HA       VAL  31  -2.798  -7.671   6.939
  247    HB   VAL  31           HB       VAL  31  -3.158  -5.659   4.740
  248   HG11  VAL  31          HG11      VAL  31  -4.244  -5.789   7.509
  249   HG12  VAL  31          HG12      VAL  31  -5.098  -6.102   5.991
  250   HG13  VAL  31          HG13      VAL  31  -4.537  -4.468   6.377
  251   HG21  VAL  31          HG21      VAL  31  -2.302  -3.859   6.115
  252   HG22  VAL  31          HG22      VAL  31  -1.045  -5.011   5.675
  253   HG23  VAL  31          HG23      VAL  31  -1.715  -5.017   7.316
  254    HA   PRO  32           HA       PRO  32  -5.281 -10.206   3.909
  255    HB2  PRO  32           HB2      PRO  32  -7.436  -8.958   5.522
  256    HB3  PRO  32           HB1      PRO  32  -7.201 -10.655   5.088
  257    HG2  PRO  32           HG2      PRO  32  -6.718  -9.869   7.548
  258    HG3  PRO  32           HG1      PRO  32  -5.592 -10.983   6.748
  259    HD2  PRO  32           HD2      PRO  32  -5.321  -8.047   7.251
  260    HD3  PRO  32           HD1      PRO  32  -4.097  -9.330   7.358
  261    H    PHE  33           HN       PHE  33  -6.585  -9.670   2.088
  262    HA   PHE  33           HA       PHE  33  -6.199  -7.192   1.041
  263    HB2  PHE  33           HB2      PHE  33  -6.567  -9.109  -0.362
  264    HB3  PHE  33           HB1      PHE  33  -8.187  -9.326   0.281
  265    HD1  PHE  33           HD2      PHE  33  -6.076  -7.050  -1.742
  266    HD2  PHE  33           HD1      PHE  33 -10.025  -8.240  -0.698
  267    HE1  PHE  33           HE2      PHE  33  -6.989  -5.651  -3.552
  268    HE2  PHE  33           HE1      PHE  33 -10.934  -6.839  -2.506
  269    HZ   PHE  33           HZ       PHE  33  -9.397  -5.538  -3.933
  270    H    GLN  34           HN       GLN  34  -9.336  -8.473   2.302
  271    HA   GLN  34           HA       GLN  34 -10.645  -6.086   1.830
  272    HB2  GLN  34           HB2      GLN  34 -12.475  -7.050   3.106
  273    HB3  GLN  34           HB1      GLN  34 -11.775  -8.265   2.049
  274    HG2  GLN  34           HG2      GLN  34 -11.878  -9.562   3.872
  275    HG3  GLN  34           HG1      GLN  34 -10.407  -8.718   4.331
  276   HE21  GLN  34          HE21      GLN  34 -12.016  -6.203   4.841
  277   HE22  GLN  34          HE22      GLN  34 -12.756  -6.438   6.345
  278    H    GLU  35           HN       GLU  35  -8.623  -7.008   4.485
  279    HA   GLU  35           HA       GLU  35  -9.765  -5.027   6.265
  280    HB2  GLU  35           HB2      GLU  35  -7.208  -6.617   6.508
  281    HB3  GLU  35           HB1      GLU  35  -7.753  -5.466   7.711
  282    HG2  GLU  35           HG2      GLU  35  -9.902  -6.950   7.717
  283    HG3  GLU  35           HG1      GLU  35  -8.811  -8.159   7.029
  284    H    LEU  36           HN       LEU  36  -6.931  -5.450   4.262
  285    HA   LEU  36           HA       LEU  36  -5.654  -3.017   4.799
  286    HB2  LEU  36           HB2      LEU  36  -4.472  -4.643   3.593
  287    HB3  LEU  36           HB1      LEU  36  -5.723  -4.858   2.406
  288    HG   LEU  36           HG       LEU  36  -5.220  -2.509   1.637
  289   HD11  LEU  36          HD11      LEU  36  -2.827  -2.839   3.423
  290   HD12  LEU  36          HD12      LEU  36  -4.130  -1.665   3.592
  291   HD13  LEU  36          HD13      LEU  36  -3.036  -1.574   2.213
  292   HD21  LEU  36          HD21      LEU  36  -3.158  -3.213   0.407
  293   HD22  LEU  36          HD22      LEU  36  -4.493  -4.356   0.344
  294   HD23  LEU  36          HD23      LEU  36  -3.134  -4.675   1.409
  295    H    LEU  37           HN       LEU  37  -8.125  -3.963   2.384
  296    HA   LEU  37           HA       LEU  37  -8.409  -1.550   1.073
  297    HB2  LEU  37           HB2      LEU  37  -9.322  -3.672   0.297
  298    HB3  LEU  37           HB1      LEU  37 -10.416  -3.716   1.662
  299    HG   LEU  37           HG       LEU  37 -11.515  -1.668   0.772
  300   HD11  LEU  37          HD11      LEU  37 -11.118  -1.044  -1.556
  301   HD12  LEU  37          HD12      LEU  37  -9.769  -2.178  -1.627
  302   HD13  LEU  37          HD13      LEU  37  -9.695  -0.782  -0.550
  303   HD21  LEU  37          HD21      LEU  37 -12.451  -3.875   0.392
  304   HD22  LEU  37          HD22      LEU  37 -11.457  -4.070  -1.053
  305   HD23  LEU  37          HD23      LEU  37 -12.725  -2.841  -1.010
  306    H    ASN  38           HN       ASN  38 -10.119  -2.826   3.883
  307    HA   ASN  38           HA       ASN  38 -11.859  -0.607   4.126
  308    HB2  ASN  38           HB2      ASN  38 -12.400  -2.851   5.005
  309    HB3  ASN  38           HB1      ASN  38 -11.141  -2.670   6.217
  310   HD21  ASN  38          HD21      ASN  38 -11.568  -1.469   8.049
  311   HD22  ASN  38          HD22      ASN  38 -13.117  -0.800   8.384
  312    H    GLU  39           HN       GLU  39  -8.675  -1.273   5.442
  313    HA   GLU  39           HA       GLU  39  -8.853   0.963   7.191
  314    HB2  GLU  39           HB2      GLU  39  -7.408  -1.003   7.682
  315    HB3  GLU  39           HB1      GLU  39  -6.363  -0.520   6.351
  316    HG2  GLU  39           HG2      GLU  39  -5.722   1.472   7.458
  317    HG3  GLU  39           HG1      GLU  39  -6.972   1.269   8.683
  318    H    ILE  40           HN       ILE  40  -7.465   0.402   3.985
  319    HA   ILE  40           HA       ILE  40  -6.330   2.923   3.508
  320    HB   ILE  40           HB       ILE  40  -7.926   1.228   1.537
  321   HG12  ILE  40          HG12      ILE  40  -4.927   1.378   1.901
  322   HG13  ILE  40          HG11      ILE  40  -5.944   0.084   2.529
  323   HG21  ILE  40          HG21      ILE  40  -5.978   3.471   0.978
  324   HG22  ILE  40          HG22      ILE  40  -7.721   3.515   0.720
  325   HG23  ILE  40          HG23      ILE  40  -6.716   2.432  -0.239
  326   HD11  ILE  40          HD11      ILE  40  -5.530   0.780  -0.372
  327   HD12  ILE  40          HD12      ILE  40  -6.618  -0.468   0.232
  328   HD13  ILE  40          HD13      ILE  40  -4.881  -0.619   0.489
  329    H    ALA  41           HN       ALA  41  -9.598   1.722   3.203
  330    HA   ALA  41           HA       ALA  41 -10.946   3.910   2.202
  331    HB1  ALA  41           HB1      ALA  41 -12.958   2.955   3.095
  332    HB2  ALA  41           HB2      ALA  41 -12.035   1.965   4.225
  333    HB3  ALA  41           HB3      ALA  41 -11.923   1.660   2.491
  334    H    SER  42           HN       SER  42 -10.385   3.049   5.405
  335    HA   SER  42           HA       SER  42 -11.552   5.329   6.708
  336    HB2  SER  42           HB2      SER  42  -9.534   3.368   7.826
  337    HB3  SER  42           HB1      SER  42 -10.642   4.386   8.745
  338    HG   SER  42           HG       SER  42 -11.247   2.126   7.127
  339    H    LEU  43           HN       LEU  43  -8.206   4.656   5.730
  340    HA   LEU  43           HA       LEU  43  -7.112   6.878   7.025
  341    HB2  LEU  43           HB2      LEU  43  -6.072   4.735   5.909
  342    HB3  LEU  43           HB1      LEU  43  -6.100   5.684   4.449
  343    HG   LEU  43           HG       LEU  43  -3.887   5.699   5.398
  344   HD11  LEU  43          HD11      LEU  43  -4.548   7.723   4.293
  345   HD12  LEU  43          HD12      LEU  43  -3.443   8.065   5.628
  346   HD13  LEU  43          HD13      LEU  43  -5.172   8.371   5.808
  347   HD21  LEU  43          HD21      LEU  43  -3.401   6.642   7.594
  348   HD22  LEU  43          HD22      LEU  43  -4.435   5.217   7.709
  349   HD23  LEU  43          HD23      LEU  43  -5.127   6.830   7.898
  350    H    LEU  44           HN       LEU  44  -8.505   6.303   3.886
  351    HA   LEU  44           HA       LEU  44  -7.851   8.845   2.788
  352    HB2  LEU  44           HB2      LEU  44  -8.075   6.717   1.525
  353    HB3  LEU  44           HB1      LEU  44  -9.796   6.757   1.822
  354    HG   LEU  44           HG       LEU  44  -9.966   8.823   0.491
  355   HD11  LEU  44          HD11      LEU  44  -8.039   9.517  -0.818
  356   HD12  LEU  44          HD12      LEU  44  -7.019   8.374   0.063
  357   HD13  LEU  44          HD13      LEU  44  -7.769   9.734   0.907
  358   HD21  LEU  44          HD21      LEU  44  -8.520   6.576  -0.907
  359   HD22  LEU  44          HD22      LEU  44  -9.507   7.815  -1.683
  360   HD23  LEU  44          HD23      LEU  44 -10.252   6.645  -0.594
  361    H    GLY  45           HN       GLY  45 -10.424   7.580   4.612
  362    HA2  GLY  45           HA2      GLY  45 -12.162   8.782   5.682
  363    HA3  GLY  45           HA1      GLY  45 -11.719  10.193   4.721
  364    H    VAL  46           HN       VAL  46 -12.402   7.002   3.528
  365    HA   VAL  46           HA       VAL  46 -14.950   7.917   2.410
  366    HB   VAL  46           HB       VAL  46 -14.499   6.938   0.226
  367   HG11  VAL  46          HG11      VAL  46 -13.953   9.280   0.432
  368   HG12  VAL  46          HG12      VAL  46 -12.842   8.485  -0.684
  369   HG13  VAL  46          HG13      VAL  46 -12.318   8.871   0.956
  370   HG21  VAL  46          HG21      VAL  46 -12.270   6.121  -0.426
  371   HG22  VAL  46          HG22      VAL  46 -12.975   5.162   0.874
  372   HG23  VAL  46          HG23      VAL  46 -11.718   6.344   1.237
  373    H    LYS  47           HN       LYS  47 -16.059   5.989   1.416
  374    HA   LYS  47           HA       LYS  47 -15.528   3.659   3.059
  375    HB2  LYS  47           HB2      LYS  47 -17.720   4.590   3.493
  376    HB3  LYS  47           HB1      LYS  47 -18.062   4.697   1.778
  377    HG2  LYS  47           HG2      LYS  47 -18.298   2.351   1.597
  378    HG3  LYS  47           HG1      LYS  47 -17.683   2.103   3.233
  379    HD2  LYS  47           HD2      LYS  47 -20.152   1.887   3.109
  380    HD3  LYS  47           HD1      LYS  47 -19.630   3.188   4.174
  381    HE2  LYS  47           HE2      LYS  47 -21.539   3.888   2.839
  382    HE3  LYS  47           HE1      LYS  47 -20.116   4.822   2.412
  383    HZ1  LYS  47           HZ1      LYS  47 -21.161   2.506   0.857
  384    HZ2  LYS  47           HZ2      LYS  47 -19.839   3.537   0.451
  385    HZ3  LYS  47           HZ3      LYS  47 -21.376   4.142   0.500
  386    H    LYS  48           HN       LYS  48 -15.739   1.578   1.988
  387    HA   LYS  48           HA       LYS  48 -14.119   1.606  -0.267
  388    HB2  LYS  48           HB2      LYS  48 -14.442  -0.945  -0.177
  389    HB3  LYS  48           HB1      LYS  48 -13.684  -0.123   1.177
  390    HG2  LYS  48           HG2      LYS  48 -15.797  -0.203   2.415
  391    HG3  LYS  48           HG1      LYS  48 -16.565  -1.006   1.048
  392    HD2  LYS  48           HD2      LYS  48 -15.128  -2.935   1.318
  393    HD3  LYS  48           HD1      LYS  48 -14.200  -2.113   2.575
  394    HE2  LYS  48           HE2      LYS  48 -16.078  -2.086   4.043
  395    HE3  LYS  48           HE1      LYS  48 -17.153  -2.690   2.793
  396    HZ1  LYS  48           HZ1      LYS  48 -15.815  -4.763   2.817
  397    HZ2  LYS  48           HZ2      LYS  48 -16.594  -4.475   4.254
  398    HZ3  LYS  48           HZ3      LYS  48 -14.949  -4.192   4.140
  399    H    GLU  49           HN       GLU  49 -17.515   1.282   0.027
  400    HA   GLU  49           HA       GLU  49 -18.178  -0.133  -2.333
  401    HB2  GLU  49           HB2      GLU  49 -19.845   1.743  -0.690
  402    HB3  GLU  49           HB1      GLU  49 -20.460   0.602  -1.879
  403    HG2  GLU  49           HG2      GLU  49 -18.938  -0.139   0.609
  404    HG3  GLU  49           HG1      GLU  49 -20.686  -0.202   0.412
  405    H    GLU  50           HN       GLU  50 -17.473   3.195  -1.814
  406    HA   GLU  50           HA       GLU  50 -18.603   3.916  -4.365
  407    HB2  GLU  50           HB2      GLU  50 -17.634   6.284  -3.681
  408    HB3  GLU  50           HB1      GLU  50 -19.153   5.698  -3.048
  409    HG2  GLU  50           HG2      GLU  50 -16.607   5.278  -1.535
  410    HG3  GLU  50           HG1      GLU  50 -17.460   6.820  -1.467
  411    H    LEU  51           HN       LEU  51 -15.750   2.729  -3.294
  412    HA   LEU  51           HA       LEU  51 -14.045   4.004  -5.196
  413    HB2  LEU  51           HB2      LEU  51 -13.823   1.273  -3.901
  414    HB3  LEU  51           HB1      LEU  51 -12.537   2.059  -4.791
  415    HG   LEU  51           HG       LEU  51 -13.714   3.007  -2.172
  416   HD11  LEU  51          HD11      LEU  51 -11.043   1.770  -2.802
  417   HD12  LEU  51          HD12      LEU  51 -12.358   1.028  -1.888
  418   HD13  LEU  51          HD13      LEU  51 -11.525   2.441  -1.246
  419   HD21  LEU  51          HD21      LEU  51 -12.990   4.897  -3.533
  420   HD22  LEU  51          HD22      LEU  51 -11.427   4.125  -3.801
  421   HD23  LEU  51          HD23      LEU  51 -11.886   4.648  -2.181
  422    H    GLY  52           HN       GLY  52 -15.857   0.913  -5.104
  423    HA2  GLY  52           HA2      GLY  52 -17.129  -0.076  -6.693
  424    HA3  GLY  52           HA1      GLY  52 -17.088   1.431  -7.595
  425    H    ASP  53           HN       ASP  53 -16.392   1.029  -9.628
  426    HA   ASP  53           HA       ASP  53 -15.000  -0.890 -10.733
  427    HB2  ASP  53           HB2      ASP  53 -14.638   2.035 -11.375
  428    HB3  ASP  53           HB1      ASP  53 -14.209   0.703 -12.438
  429    H    ARG  54           HN       ARG  54 -13.559   1.350  -8.543
  430    HA   ARG  54           HA       ARG  54 -10.910   1.149  -9.613
  431    HB2  ARG  54           HB2      ARG  54 -11.794   3.165  -8.300
  432    HB3  ARG  54           HB1      ARG  54 -11.649   2.166  -6.863
  433    HG2  ARG  54           HG2      ARG  54  -9.699   3.543  -6.999
  434    HG3  ARG  54           HG1      ARG  54  -9.223   1.887  -7.379
  435    HD2  ARG  54           HD2      ARG  54  -9.389   2.445  -9.806
  436    HD3  ARG  54           HD1      ARG  54  -9.744   4.107  -9.341
  437    HE   ARG  54           HE       ARG  54  -7.281   3.116  -8.256
  438   HH11  ARG  54          HH11      ARG  54  -8.770   4.762 -11.004
  439   HH12  ARG  54          HH12      ARG  54  -7.304   5.295 -11.680
  440   HH21  ARG  54          HH21      ARG  54  -5.273   3.846  -9.151
  441   HH22  ARG  54          HH22      ARG  54  -5.209   4.745 -10.585
  442    H    ILE  55           HN       ILE  55 -12.871  -0.758  -7.698
  443    HA   ILE  55           HA       ILE  55 -10.883  -1.946  -5.988
  444    HB   ILE  55           HB       ILE  55 -13.581  -3.085  -6.811
  445   HG12  ILE  55          HG12      ILE  55 -13.806  -0.982  -5.573
  446   HG13  ILE  55          HG11      ILE  55 -14.375  -2.332  -4.605
  447   HG21  ILE  55          HG21      ILE  55 -13.384  -4.577  -4.864
  448   HG22  ILE  55          HG22      ILE  55 -11.740  -3.989  -4.600
  449   HG23  ILE  55          HG23      ILE  55 -12.131  -4.878  -6.070
  450   HD11  ILE  55          HD11      ILE  55 -12.243  -2.301  -3.375
  451   HD12  ILE  55          HD12      ILE  55 -13.142  -0.795  -3.239
  452   HD13  ILE  55          HD13      ILE  55 -11.744  -0.889  -4.311
  453    H    ALA  56           HN       ALA  56 -12.424  -3.073  -8.985
  454    HA   ALA  56           HA       ALA  56 -10.812  -5.358  -9.280
  455    HB1  ALA  56           HB1      ALA  56 -12.936  -5.087 -10.476
  456    HB2  ALA  56           HB2      ALA  56 -11.609  -5.381 -11.603
  457    HB3  ALA  56           HB3      ALA  56 -12.247  -3.751 -11.398
  458    H    GLN  57           HN       GLN  57 -10.480  -2.045 -10.309
  459    HA   GLN  57           HA       GLN  57  -8.213  -2.300 -11.966
  460    HB2  GLN  57           HB2      GLN  57  -9.779  -0.274 -11.575
  461    HB3  GLN  57           HB1      GLN  57  -8.807   0.054 -10.160
  462    HG2  GLN  57           HG2      GLN  57  -7.863   0.077 -13.030
  463    HG3  GLN  57           HG1      GLN  57  -8.183   1.485 -12.040
  464   HE21  GLN  57          HE21      GLN  57  -5.960  -0.937 -12.899
  465   HE22  GLN  57          HE22      GLN  57  -4.634  -0.389 -11.950
  466    H    PHE  58           HN       PHE  58  -8.493  -1.363  -8.519
  467    HA   PHE  58           HA       PHE  58  -5.817  -1.299  -7.802
  468    HB2  PHE  58           HB2      PHE  58  -7.523  -0.544  -6.230
  469    HB3  PHE  58           HB1      PHE  58  -8.216  -2.155  -6.142
  470    HD1  PHE  58           HD1      PHE  58  -6.860  -3.995  -5.052
  471    HD2  PHE  58           HD2      PHE  58  -5.753   0.104  -4.751
  472    HE1  PHE  58           HE1      PHE  58  -5.448  -4.547  -3.177
  473    HE2  PHE  58           HE2      PHE  58  -4.342  -0.428  -2.816
  474    HZ   PHE  58           HZ       PHE  58  -4.179  -2.747  -2.006
  475    H    TYR  59           HN       TYR  59  -8.034  -3.997  -7.703
  476    HA   TYR  59           HA       TYR  59  -6.284  -5.917  -6.614
  477    HB2  TYR  59           HB2      TYR  59  -8.838  -6.062  -6.997
  478    HB3  TYR  59           HB1      TYR  59  -8.428  -6.618  -8.613
  479    HD1  TYR  59           HD2      TYR  59  -7.882  -7.346  -5.033
  480    HD2  TYR  59           HD1      TYR  59  -7.982  -8.922  -8.972
  481    HE1  TYR  59           HE2      TYR  59  -7.690  -9.599  -4.110
  482    HE2  TYR  59           HE1      TYR  59  -7.794 -11.209  -8.052
  483    HH   TYR  59           HH       TYR  59  -7.038 -12.314  -6.050
  484    H    THR  60           HN       THR  60  -7.059  -5.200  -9.988
  485    HA   THR  60           HA       THR  60  -5.300  -7.081 -11.135
  486    HB   THR  60           HB       THR  60  -6.316  -4.441 -12.197
  487    HG1  THR  60           HG1      THR  60  -8.049  -5.681 -11.809
  488   HG21  THR  60          HG21      THR  60  -4.402  -5.242 -13.488
  489   HG22  THR  60          HG22      THR  60  -5.882  -5.358 -14.432
  490   HG23  THR  60          HG23      THR  60  -5.177  -6.816 -13.705
  491    H    ASP  61           HN       ASP  61  -4.792  -3.647 -10.421
  492    HA   ASP  61           HA       ASP  61  -2.171  -3.603 -11.502
  493    HB2  ASP  61           HB2      ASP  61  -3.564  -1.604 -11.295
  494    HB3  ASP  61           HB1      ASP  61  -3.462  -1.699  -9.543
  495    H    LEU  62           HN       LEU  62  -3.391  -4.195  -8.250
  496    HA   LEU  62           HA       LEU  62  -0.817  -4.006  -6.973
  497    HB2  LEU  62           HB2      LEU  62  -3.123  -3.693  -5.907
  498    HB3  LEU  62           HB1      LEU  62  -3.218  -5.446  -5.908
  499    HG   LEU  62           HG       LEU  62  -0.900  -5.260  -4.731
  500   HD11  LEU  62          HD11      LEU  62  -2.144  -2.611  -4.107
  501   HD12  LEU  62          HD12      LEU  62  -0.646  -2.908  -4.993
  502   HD13  LEU  62          HD13      LEU  62  -0.754  -3.315  -3.282
  503   HD21  LEU  62          HD21      LEU  62  -2.001  -5.328  -2.561
  504   HD22  LEU  62          HD22      LEU  62  -2.917  -6.271  -3.742
  505   HD23  LEU  62          HD23      LEU  62  -3.464  -4.658  -3.273
  506    H    ASN  63           HN       ASN  63  -2.777  -6.602  -8.292
  507    HA   ASN  63           HA       ASN  63  -1.305  -8.655  -6.992
  508    HB2  ASN  63           HB2      ASN  63  -3.328  -8.716  -9.208
  509    HB3  ASN  63           HB1      ASN  63  -2.467 -10.162  -8.715
  510   HD21  ASN  63          HD21      ASN  63  -3.765  -7.576  -6.440
  511   HD22  ASN  63          HD22      ASN  63  -4.866  -8.686  -5.734
  512    H    ILE  64           HN       ILE  64  -0.656  -6.801  -9.617
  513    HA   ILE  64           HA       ILE  64   1.587  -8.559 -10.355
  514    HB   ILE  64           HB       ILE  64   1.566  -7.433 -12.637
  515   HG12  ILE  64          HG12      ILE  64  -1.242  -6.654 -11.814
  516   HG13  ILE  64          HG11      ILE  64   0.091  -5.531 -12.014
  517   HG21  ILE  64          HG21      ILE  64  -0.782  -9.175 -11.920
  518   HG22  ILE  64          HG22      ILE  64   0.838  -9.715 -12.361
  519   HG23  ILE  64          HG23      ILE  64  -0.176  -8.900 -13.555
  520   HD11  ILE  64          HD11      ILE  64  -1.148  -7.227 -14.161
  521   HD12  ILE  64          HD12      ILE  64   0.182  -6.090 -14.394
  522   HD13  ILE  64          HD13      ILE  64  -1.416  -5.501 -13.924
  523    H    ASP  65           HN       ASP  65   2.462  -7.329  -8.468
  524    HA   ASP  65           HA       ASP  65   3.455  -4.736  -9.383
  525    HB2  ASP  65           HB2      ASP  65   1.490  -4.260  -8.133
  526    HB3  ASP  65           HB1      ASP  65   2.022  -5.282  -6.806
  527    H    GLY  66           HN       GLY  66   5.101  -3.716  -8.054
  528    HA2  GLY  66           HA2      GLY  66   7.419  -5.423  -7.488
  529    HA3  GLY  66           HA1      GLY  66   7.323  -3.656  -7.464
  530    H    ARG  67           HN       ARG  67   4.980  -3.701  -5.636
  531    HA   ARG  67           HA       ARG  67   6.802  -4.022  -3.441
  532    HB2  ARG  67           HB2      ARG  67   5.412  -2.215  -2.272
  533    HB3  ARG  67           HB1      ARG  67   6.592  -1.775  -3.476
  534    HG2  ARG  67           HG2      ARG  67   3.647  -1.980  -4.136
  535    HG3  ARG  67           HG1      ARG  67   4.347  -0.526  -3.441
  536    HD2  ARG  67           HD2      ARG  67   6.026  -0.719  -5.443
  537    HD3  ARG  67           HD1      ARG  67   4.783  -1.749  -6.144
  538    HE   ARG  67           HE       ARG  67   3.850   0.864  -5.225
  539   HH11  ARG  67          HH11      ARG  67   4.454  -1.147  -7.964
  540   HH12  ARG  67          HH12      ARG  67   4.322   0.104  -9.137
  541   HH21  ARG  67          HH21      ARG  67   3.680   2.596  -6.768
  542   HH22  ARG  67          HH22      ARG  67   3.805   2.270  -8.430
  543    H    PHE  68           HN       PHE  68   3.896  -5.356  -4.458
  544    HA   PHE  68           HA       PHE  68   3.377  -6.193  -1.658
  545    HB2  PHE  68           HB2      PHE  68   1.450  -5.917  -3.952
  546    HB3  PHE  68           HB1      PHE  68   1.051  -6.690  -2.421
  547    HD1  PHE  68           HD1      PHE  68   2.532  -3.578  -3.688
  548    HD2  PHE  68           HD2      PHE  68   0.037  -5.409  -0.822
  549    HE1  PHE  68           HE1      PHE  68   1.940  -1.334  -2.794
  550    HE2  PHE  68           HE2      PHE  68  -0.555  -3.208   0.099
  551    HZ   PHE  68           HZ       PHE  68   0.395  -1.167  -0.886
  552    H    LEU  69           HN       LEU  69   3.437  -8.246  -1.089
  553    HA   LEU  69           HA       LEU  69   3.423 -10.282  -3.192
  554    HB2  LEU  69           HB2      LEU  69   5.047 -11.607  -1.874
  555    HB3  LEU  69           HB1      LEU  69   5.721 -10.074  -2.352
  556    HG   LEU  69           HG       LEU  69   5.034  -9.361   0.107
  557   HD11  LEU  69          HD11      LEU  69   5.318 -12.337   0.432
  558   HD12  LEU  69          HD12      LEU  69   3.864 -11.380   0.715
  559   HD13  LEU  69          HD13      LEU  69   5.284 -11.149   1.738
  560   HD21  LEU  69          HD21      LEU  69   7.262 -10.081   0.918
  561   HD22  LEU  69          HD22      LEU  69   7.322  -9.322  -0.658
  562   HD23  LEU  69          HD23      LEU  69   7.437 -11.074  -0.529
  563    H    ALA  70           HN       ALA  70   1.929 -11.933  -2.862
  564    HA   ALA  70           HA       ALA  70   0.305 -11.697  -0.395
  565    HB1  ALA  70           HB1      ALA  70  -1.331 -13.079  -1.516
  566    HB2  ALA  70           HB2      ALA  70  -0.212 -13.428  -2.828
  567    HB3  ALA  70           HB3      ALA  70  -0.889 -11.808  -2.658
  568    H    LEU  71           HN       LEU  71   0.085 -12.960   1.049
  569    HA   LEU  71           HA       LEU  71   2.340 -14.709   1.496
  570    HB2  LEU  71           HB2      LEU  71   0.023 -13.934   3.247
  571    HB3  LEU  71           HB1      LEU  71   1.130 -15.191   3.728
  572    HG   LEU  71           HG       LEU  71   2.969 -13.547   3.790
  573   HD11  LEU  71          HD11      LEU  71   2.520 -11.177   3.588
  574   HD12  LEU  71          HD12      LEU  71   0.845 -11.512   3.147
  575   HD13  LEU  71          HD13      LEU  71   2.156 -12.000   2.071
  576   HD21  LEU  71          HD21      LEU  71   1.619 -14.001   5.755
  577   HD22  LEU  71          HD22      LEU  71   0.529 -12.684   5.315
  578   HD23  LEU  71          HD23      LEU  71   2.207 -12.340   5.736
  579    H    SER  72           HN       SER  72  -0.856 -15.644   2.571
  580    HA   SER  72           HA       SER  72  -0.285 -18.301   1.507
  581    HB2  SER  72           HB2      SER  72  -2.577 -17.410   3.270
  582    HB3  SER  72           HB1      SER  72  -2.002 -19.062   3.027
  583    HG   SER  72           HG       SER  72   0.096 -17.974   3.843
  584    H    ASP  73           HN       ASP  73  -3.139 -16.102   1.691
  585    HA   ASP  73           HA       ASP  73  -3.483 -16.440  -1.138
  586    HB2  ASP  73           HB2      ASP  73  -5.659 -17.493  -1.142
  587    HB3  ASP  73           HB1      ASP  73  -4.538 -18.523  -0.268
  588    H    GLN  74           HN       GLN  74  -4.751 -15.185   1.909
  589    HA   GLN  74           HA       GLN  74  -6.317 -13.310   0.406
  590    HB2  GLN  74           HB2      GLN  74  -7.334 -12.816   2.632
  591    HB3  GLN  74           HB1      GLN  74  -7.591 -14.436   2.005
  592    HG2  GLN  74           HG2      GLN  74  -5.878 -15.309   3.474
  593    HG3  GLN  74           HG1      GLN  74  -5.529 -13.684   4.060
  594   HE21  GLN  74          HE21      GLN  74  -6.968 -12.699   5.498
  595   HE22  GLN  74          HE22      GLN  74  -8.183 -13.625   6.275
  596    H    THR  75           HN       THR  75  -3.742 -13.343   2.862
  597    HA   THR  75           HA       THR  75  -3.570 -10.605   3.405
  598    HB   THR  75           HB       THR  75  -1.385 -11.647   4.344
  599    HG1  THR  75           HG1      THR  75  -1.724 -13.951   4.668
  600   HG21  THR  75          HG21      THR  75  -4.105 -12.536   5.343
  601   HG22  THR  75          HG22      THR  75  -3.330 -10.999   5.726
  602   HG23  THR  75          HG23      THR  75  -2.621 -12.511   6.293
  603    H    TRP  76           HN       TRP  76  -2.090  -9.237   2.702
  604    HA   TRP  76           HA       TRP  76  -0.194  -9.952   0.605
  605    HB2  TRP  76           HB2      TRP  76  -1.688  -7.405   1.233
  606    HB3  TRP  76           HB1      TRP  76  -0.342  -7.503   0.101
  607    HD1  TRP  76           HD1      TRP  76  -4.040  -8.307   0.418
  608    HE1  TRP  76           HE1      TRP  76  -4.902  -9.151  -1.863
  609    HE3  TRP  76           HE3      TRP  76   0.416  -8.743  -2.027
  610    HZ2  TRP  76           HZ2      TRP  76  -3.829  -9.898  -4.346
  611    HZ3  TRP  76           HZ3      TRP  76   0.415  -9.524  -4.356
  612    HH2  TRP  76           HH2      TRP  76  -1.666 -10.093  -5.487
  613    H    GLY  77           HN       GLY  77   1.846  -9.140   0.987
  614    HA2  GLY  77           HA2      GLY  77   2.304  -7.715   3.513
  615    HA3  GLY  77           HA1      GLY  77   3.322  -9.068   3.014
  616    H    LEU  78           HN       LEU  78   3.822  -6.113   3.404
  617    HA   LEU  78           HA       LEU  78   4.425  -5.271   0.756
  618    HB2  LEU  78           HB2      LEU  78   4.213  -4.029   3.085
  619    HB3  LEU  78           HB1      LEU  78   5.950  -4.122   3.019
  620    HG   LEU  78           HG       LEU  78   5.049  -1.930   2.179
  621   HD11  LEU  78          HD11      LEU  78   6.412  -1.775   0.192
  622   HD12  LEU  78          HD12      LEU  78   6.521  -3.539   0.125
  623   HD13  LEU  78          HD13      LEU  78   7.210  -2.655   1.492
  624   HD21  LEU  78          HD21      LEU  78   3.963  -1.816   0.013
  625   HD22  LEU  78          HD22      LEU  78   3.008  -2.808   1.116
  626   HD23  LEU  78          HD23      LEU  78   3.999  -3.562  -0.125
  627    H    ARG  79           HN       ARG  79   6.091  -5.481  -0.463
  628    HA   ARG  79           HA       ARG  79   7.954  -7.586  -0.054
  629    HB2  ARG  79           HB2      ARG  79   7.514  -5.567  -2.178
  630    HB3  ARG  79           HB1      ARG  79   8.869  -6.690  -2.274
  631    HG2  ARG  79           HG2      ARG  79   7.375  -8.563  -2.378
  632    HG3  ARG  79           HG1      ARG  79   5.965  -7.519  -2.083
  633    HD2  ARG  79           HD2      ARG  79   6.266  -6.455  -4.137
  634    HD3  ARG  79           HD1      ARG  79   7.840  -7.223  -4.416
  635    HE   ARG  79           HE       ARG  79   5.190  -8.491  -4.515
  636   HH11  ARG  79          HH11      ARG  79   8.646  -8.514  -5.370
  637   HH12  ARG  79          HH12      ARG  79   8.476  -9.729  -6.541
  638   HH21  ARG  79          HH21      ARG  79   4.991 -10.140  -6.190
  639   HH22  ARG  79          HH22      ARG  79   6.374 -10.661  -7.023
  640    H    SER  80           HN       SER  80   8.220  -4.624   1.244
  641    HA   SER  80           HA       SER  80  10.933  -3.959   0.477
  642    HB2  SER  80           HB2      SER  80   9.044  -2.342   0.972
  643    HB3  SER  80           HB1      SER  80   9.270  -2.723   2.679
  644    HG   SER  80           HG       SER  80  10.318  -0.923   2.248
  645    H    TRP  81           HN       TRP  81   9.551  -6.112   2.595
  646    HA   TRP  81           HA       TRP  81  11.783  -6.000   4.519
  647    HB2  TRP  81           HB2      TRP  81   9.439  -7.900   4.704
  648    HB3  TRP  81           HB1      TRP  81  10.433  -7.252   6.005
  649    HD1  TRP  81           HD1      TRP  81  10.049  -4.146   5.549
  650    HE1  TRP  81           HE1      TRP  81   7.724  -3.059   5.851
  651    HE3  TRP  81           HE3      TRP  81   7.122  -8.311   5.149
  652    HZ2  TRP  81           HZ2      TRP  81   5.058  -3.855   5.948
  653    HZ3  TRP  81           HZ3      TRP  81   4.693  -8.058   5.373
  654    HH2  TRP  81           HH2      TRP  81   3.690  -5.870   5.766
  655    H    TYR  82           HN       TYR  82  11.627  -6.857   1.686
  656    HA   TYR  82           HA       TYR  82  12.841  -9.495   1.806
  657    HB2  TYR  82           HB2      TYR  82  10.638  -9.973   0.997
  658    HB3  TYR  82           HB1      TYR  82  10.551  -8.472   0.102
  659    HD1  TYR  82           HD1      TYR  82  11.985 -11.901   0.085
  660    HD2  TYR  82           HD2      TYR  82  11.217  -8.368  -2.154
  661    HE1  TYR  82           HE1      TYR  82  12.558 -13.091  -2.000
  662    HE2  TYR  82           HE2      TYR  82  11.786  -9.532  -4.222
  663    HH   TYR  82           HH       TYR  82  13.184 -11.460  -4.853
  664    HA   PRO  83           HA       PRO  83  16.065  -7.191  -0.255
  665    HB2  PRO  83           HB2      PRO  83  17.033  -9.163  -1.950
  666    HB3  PRO  83           HB1      PRO  83  17.496  -8.964  -0.257
  667    HG2  PRO  83           HG2      PRO  83  15.478 -10.815  -1.467
  668    HG3  PRO  83           HG1      PRO  83  16.638 -11.123  -0.163
  669    HD2  PRO  83           HD2      PRO  83  14.060 -10.674   0.350
  670    HD3  PRO  83           HD1      PRO  83  15.328 -10.037   1.420
  671    H    TYR  84           HN       TYR  84  15.795  -5.724  -1.870
  672    HA   TYR  84           HA       TYR  84  16.056  -6.303  -4.514
  673    HB2  TYR  84           HB2      TYR  84  13.985  -6.035  -5.666
  674    HB3  TYR  84           HB1      TYR  84  13.645  -7.160  -4.378
  675    HD1  TYR  84           HD1      TYR  84  12.309  -6.378  -2.413
  676    HD2  TYR  84           HD2      TYR  84  12.781  -4.083  -5.951
  677    HE1  TYR  84           HE1      TYR  84  10.259  -5.150  -1.890
  678    HE2  TYR  84           HE2      TYR  84  10.752  -2.821  -5.423
  679    HH   TYR  84           HH       TYR  84   8.669  -3.460  -4.130
  680    H    ASP  85           HN       ASP  85  17.629  -5.056  -4.197
  681    HA   ASP  85           HA       ASP  85  18.761  -3.115  -4.797
  682    HB2  ASP  85           HB2      ASP  85  16.018  -2.208  -5.622
  683    HB3  ASP  85           HB1      ASP  85  17.454  -1.201  -5.758
  684    H    GLN  86           HN       GLN  86  15.987  -2.465  -2.793
  685    HA   GLN  86           HA       GLN  86  17.695  -0.598  -1.272
  686    HB2  GLN  86           HB2      GLN  86  15.763   0.860  -0.966
  687    HB3  GLN  86           HB1      GLN  86  16.036   0.625  -2.685
  688    HG2  GLN  86           HG2      GLN  86  13.770   0.441  -2.572
  689    HG3  GLN  86           HG1      GLN  86  14.254  -1.242  -2.459
  690   HE21  GLN  86          HE21      GLN  86  12.281  -1.749  -1.465
  691   HE22  GLN  86          HE22      GLN  86  11.970  -1.374   0.196
  692    H    LEU  87           HN       LEU  87  16.690  -0.293   1.043
  693    HA   LEU  87           HA       LEU  87  14.746  -2.206   1.800
  694    HB2  LEU  87           HB2      LEU  87  17.239  -3.192   2.016
  695    HB3  LEU  87           HB1      LEU  87  17.242  -2.204   3.452
  696    HG   LEU  87           HG       LEU  87  16.722  -4.450   4.094
  697   HD11  LEU  87          HD11      LEU  87  14.523  -4.245   5.140
  698   HD12  LEU  87          HD12      LEU  87  14.234  -2.783   4.199
  699   HD13  LEU  87          HD13      LEU  87  15.545  -2.832   5.378
  700   HD21  LEU  87          HD21      LEU  87  14.801  -5.686   3.226
  701   HD22  LEU  87          HD22      LEU  87  15.959  -5.309   1.952
  702   HD23  LEU  87          HD23      LEU  87  14.469  -4.378   2.093
  703    H    ASP  88           HN       ASP  88  13.408  -0.684   2.637
  704    HA   ASP  88           HA       ASP  88  12.583   1.112   4.004
  705    HB2  ASP  88           HB2      ASP  88  13.669   0.003   5.970
  706    HB3  ASP  88           HB1      ASP  88  15.232   0.579   5.432
  707    H    GLU  89           HN       GLU  89  14.166   1.479   1.517
  708    HA   GLU  89           HA       GLU  89  14.595   4.302   2.122
  709    HB2  GLU  89           HB2      GLU  89  16.704   2.997   1.686
  710    HB3  GLU  89           HB1      GLU  89  16.150   2.808   0.032
  711    HG2  GLU  89           HG2      GLU  89  16.158   5.211  -0.287
  712    HG3  GLU  89           HG1      GLU  89  16.639   5.447   1.393
  713    H    GLU  90           HN       GLU  90  14.140   5.815   0.475
  714    HA   GLU  90           HA       GLU  90  11.724   5.140  -0.965
  715    HB2  GLU  90           HB2      GLU  90  11.542   7.588  -1.255
  716    HB3  GLU  90           HB1      GLU  90  11.777   7.122   0.419
  717    HG2  GLU  90           HG2      GLU  90  14.240   7.625   0.077
  718    HG3  GLU  90           HG1      GLU  90  13.771   8.366  -1.450
  719    H    THR  91           HN       THR  91  14.380   4.271  -1.890
  720    HA   THR  91           HA       THR  91  15.409   5.688  -4.050
  721    HB   THR  91           HB       THR  91  15.658   2.732  -4.018
  722    HG1  THR  91           HG1      THR  91  17.113   3.960  -2.025
  723   HG21  THR  91          HG21      THR  91  17.145   4.113  -5.422
  724   HG22  THR  91          HG22      THR  91  18.053   3.288  -4.151
  725   HG23  THR  91          HG23      THR  91  17.670   5.000  -3.991
  726    H    GLN  92           HN       GLN  92  12.365   4.387  -4.180
  727    HA   GLN  92           HA       GLN  92  12.659   3.630  -7.040
  728    HB2  GLN  92           HB2      GLN  92  10.543   2.314  -5.348
  729    HB3  GLN  92           HB1      GLN  92  11.157   1.823  -6.911
  730    HG2  GLN  92           HG2      GLN  92  12.181   0.291  -5.739
  731    HG3  GLN  92           HG1      GLN  92  13.385   1.544  -5.285
  732   HE21  GLN  92          HE21      GLN  92  12.865   2.635  -3.239
  733   HE22  GLN  92          HE22      GLN  92  12.156   1.708  -2.000
  734    H    LEU  93           HN       LEU  93  10.262   4.104  -4.612
  735    HA   LEU  93           HA       LEU  93   9.032   6.337  -5.567
  736    HB2  LEU  93           HB2      LEU  93   6.776   4.998  -6.027
  737    HB3  LEU  93           HB1      LEU  93   7.927   5.251  -7.314
  738    HG   LEU  93           HG       LEU  93   8.799   2.918  -6.784
  739   HD11  LEU  93          HD11      LEU  93   6.192   2.702  -5.340
  740   HD12  LEU  93          HD12      LEU  93   7.802   2.656  -4.631
  741   HD13  LEU  93          HD13      LEU  93   7.286   1.371  -5.735
  742   HD21  LEU  93          HD21      LEU  93   6.020   3.258  -7.883
  743   HD22  LEU  93          HD22      LEU  93   7.048   1.847  -8.119
  744   HD23  LEU  93          HD23      LEU  93   7.535   3.409  -8.774
  745    H    GLU  94           HN       GLU  94   6.396   4.965  -4.193
  746    HA   GLU  94           HA       GLU  94   7.090   6.261  -1.804
  747    HB2  GLU  94           HB2      GLU  94   4.717   4.499  -1.925
  748    HB3  GLU  94           HB1      GLU  94   4.917   6.080  -1.200
  749    HG2  GLU  94           HG2      GLU  94   4.605   5.454  -4.115
  750    HG3  GLU  94           HG1      GLU  94   3.409   6.127  -3.028
  751    H    HIS  95           HN       HIS  95   8.954   4.789  -1.324
  752    HA   HIS  95           HA       HIS  95   8.095   2.741   0.649
  753    HB2  HIS  95           HB2      HIS  95  10.503   2.826  -1.150
  754    HB3  HIS  95           HB1      HIS  95  10.549   1.975   0.375
  755    HD1  HIS  95           HD1      HIS  95   9.773  -0.338   0.353
  756    HD2  HIS  95           HD2      HIS  95   8.405   1.613  -3.044
  757    HE1  HIS  95           HE1      HIS  95   9.015  -2.128  -1.350
  758    HE2  HIS  95           HE2      HIS  95   8.844  -0.863  -3.377
  759    H    HIS  96           HN       HIS  96   7.992   4.915   1.965
  760    HA   HIS  96           HA       HIS  96  10.793   5.432   2.556
  761    HB2  HIS  96           HB2      HIS  96   9.239   7.452   2.071
  762    HB3  HIS  96           HB1      HIS  96   8.689   7.243   3.736
  763    HD1  HIS  96           HD1      HIS  96   9.768   9.584   4.348
  764    HD2  HIS  96           HD2      HIS  96  12.474   6.786   2.901
  765    HE1  HIS  96           HE1      HIS  96  12.033  10.536   4.793
  766    HE2  HIS  96           HE2      HIS  96  13.490   9.066   3.388
  767    H    HIS  97           HN       HIS  97   8.323   3.815   3.843
  768    HA   HIS  97           HA       HIS  97   8.168   2.457   5.694
  769    HB2  HIS  97           HB2      HIS  97  10.180   1.559   4.404
  770    HB3  HIS  97           HB1      HIS  97  11.187   2.390   5.573
  771    HD1  HIS  97           HD1      HIS  97   9.103  -0.619   5.060
  772    HD2  HIS  97           HD2      HIS  97  11.160   1.203   8.177
  773    HE1  HIS  97           HE1      HIS  97   9.374  -2.384   6.836
  774    HE2  HIS  97           HE2      HIS  97  10.726  -1.294   8.639
  775    H    HIS  98           HN       HIS  98  11.206   3.886   6.849
  776    HA   HIS  98           HA       HIS  98   9.943   4.570   9.326
  777    HB2  HIS  98           HB2      HIS  98  12.645   5.162   8.153
  778    HB3  HIS  98           HB1      HIS  98  12.098   6.043   9.567
  779    HD1  HIS  98           HD1      HIS  98  13.140   2.657   8.429
  780    HD2  HIS  98           HD2      HIS  98  12.183   4.629  11.935
  781    HE1  HIS  98           HE1      HIS  98  13.833   1.108  10.289
  782    HE2  HIS  98           HE2      HIS  98  13.676   2.591  12.305
  783    H    HIS  99           HN       HIS  99   8.353   6.011   9.214
  784    HA   HIS  99           HA       HIS  99   8.855   8.548   7.787
  785    HB2  HIS  99           HB2      HIS  99   6.275   7.520   9.000
  786    HB3  HIS  99           HB1      HIS  99   6.445   8.952   7.990
  787    HD1  HIS  99           HD1      HIS  99   4.980   5.925   7.709
  788    HD2  HIS  99           HD2      HIS  99   7.852   7.798   5.407
  789    HE1  HIS  99           HE1      HIS  99   4.897   4.767   5.462
  790    HE2  HIS  99           HE2      HIS  99   6.255   6.294   4.035
  791    H    HIS 100           HN       HIS 100   9.121   7.081  10.636
  792    HA   HIS 100           HA       HIS 100   9.881   9.249  12.161
  793    HB2  HIS 100           HB2      HIS 100   7.460   9.689  12.429
  794    HB3  HIS 100           HB1      HIS 100   7.174   8.015  12.861
  795    HD1  HIS 100           HD1      HIS 100   7.728   7.319  15.298
  796    HD2  HIS 100           HD2      HIS 100   8.551  11.307  14.474
  797    HE1  HIS 100           HE1      HIS 100   8.065   8.418  17.515
  798    HE2  HIS 100           HE2      HIS 100   8.427  10.836  16.997
  Start of MODEL    5
    1    H1   GLY   2           HT1      GLY   2  -3.957  11.472   8.589
    2    H2   GLY   2           HT2      GLY   2  -3.271  10.340   9.633
    3    H3   GLY   2           HT3      GLY   2  -4.248   9.815   8.389
    4    HA2  GLY   2           HA1      GLY   2  -2.637  10.564   6.768
    5    HA3  GLY   2           HA2      GLY   2  -1.605  11.078   8.100
    6    H    ILE   3           HN       ILE   3   0.028   9.635   7.639
    7    HA   ILE   3           HA       ILE   3  -0.582   6.922   8.478
    8    HB   ILE   3           HB       ILE   3   1.538   7.293   6.259
    9   HG12  ILE   3          HG12      ILE   3  -0.785   7.790   5.305
   10   HG13  ILE   3          HG11      ILE   3   0.156   6.492   4.582
   11   HG21  ILE   3          HG21      ILE   3   0.259   4.843   7.335
   12   HG22  ILE   3          HG22      ILE   3   1.902   5.419   7.616
   13   HG23  ILE   3          HG23      ILE   3   1.405   4.918   5.999
   14   HD11  ILE   3          HD11      ILE   3  -2.117   6.107   6.495
   15   HD12  ILE   3          HD12      ILE   3  -1.136   4.868   5.656
   16   HD13  ILE   3          HD13      ILE   3  -2.135   5.978   4.720
   17    H    LYS   4           HN       LYS   4   2.330   8.469   7.216
   18    HA   LYS   4           HA       LYS   4   3.864   7.760   9.583
   19    HB2  LYS   4           HB2      LYS   4   4.385   6.771   7.429
   20    HB3  LYS   4           HB1      LYS   4   4.544   8.361   6.727
   21    HG2  LYS   4           HG2      LYS   4   6.513   8.784   8.075
   22    HG3  LYS   4           HG1      LYS   4   6.345   7.190   8.825
   23    HD2  LYS   4           HD2      LYS   4   6.687   7.647   5.855
   24    HD3  LYS   4           HD1      LYS   4   8.002   7.240   6.958
   25    HE2  LYS   4           HE2      LYS   4   7.074   5.089   7.411
   26    HE3  LYS   4           HE1      LYS   4   5.544   5.489   6.640
   27    HZ1  LYS   4           HZ1      LYS   4   6.608   5.552   4.537
   28    HZ2  LYS   4           HZ2      LYS   4   6.933   4.074   5.283
   29    HZ3  LYS   4           HZ3      LYS   4   8.140   5.268   5.226
   30    H    GLN   5           HN       GLN   5   3.524  10.262   7.086
   31    HA   GLN   5           HA       GLN   5   3.827  12.455   8.939
   32    HB2  GLN   5           HB2      GLN   5   5.790  13.377   7.735
   33    HB3  GLN   5           HB1      GLN   5   6.163  11.866   8.552
   34    HG2  GLN   5           HG2      GLN   5   5.939  10.663   6.434
   35    HG3  GLN   5           HG1      GLN   5   5.568  12.178   5.618
   36   HE21  GLN   5          HE21      GLN   5   8.010  10.312   7.198
   37   HE22  GLN   5          HE22      GLN   5   9.364  11.149   6.594
   38    H    TYR   6           HN       TYR   6   1.967  11.309   6.913
   39    HA   TYR   6           HA       TYR   6   2.081  13.336   4.776
   40    HB2  TYR   6           HB2      TYR   6   0.683  10.670   4.623
   41    HB3  TYR   6           HB1      TYR   6   1.005  11.790   3.308
   42    HD1  TYR   6           HD1      TYR   6   3.401  12.082   2.526
   43    HD2  TYR   6           HD2      TYR   6   2.211   9.048   5.250
   44    HE1  TYR   6           HE1      TYR   6   5.482  10.842   2.056
   45    HE2  TYR   6           HE2      TYR   6   4.266   7.809   4.786
   46    HH   TYR   6           HH       TYR   6   5.903   7.610   3.103
   47    H    SER   7           HN       SER   7   0.405  14.660   4.674
   48    HA   SER   7           HA       SER   7  -1.769  14.437   6.600
   49    HB2  SER   7           HB2      SER   7  -1.627  16.393   4.333
   50    HB3  SER   7           HB1      SER   7  -2.268  16.625   5.964
   51    HG   SER   7           HG       SER   7   0.296  16.675   4.978
   52    H    GLN   8           HN       GLN   8  -3.989  14.767   5.823
   53    HA   GLN   8           HA       GLN   8  -4.872  12.560   4.486
   54    HB2  GLN   8           HB2      GLN   8  -6.143  13.937   6.075
   55    HB3  GLN   8           HB1      GLN   8  -6.242  15.218   4.878
   56    HG2  GLN   8           HG2      GLN   8  -8.316  14.053   4.862
   57    HG3  GLN   8           HG1      GLN   8  -7.367  13.664   3.409
   58   HE21  GLN   8          HE21      GLN   8  -6.664  11.589   3.065
   59   HE22  GLN   8          HE22      GLN   8  -7.178  10.283   4.094
   60    H    GLU   9           HN       GLU   9  -4.267  15.835   3.282
   61    HA   GLU   9           HA       GLU   9  -5.392  15.615   0.759
   62    HB2  GLU   9           HB2      GLU   9  -3.038  17.270   1.648
   63    HB3  GLU   9           HB1      GLU   9  -4.052  17.568   0.244
   64    HG2  GLU   9           HG2      GLU   9  -4.970  17.668   3.108
   65    HG3  GLU   9           HG1      GLU   9  -4.590  19.059   2.095
   66    H    GLU  10           HN       GLU  10  -2.079  14.901   1.882
   67    HA   GLU  10           HA       GLU  10  -1.029  14.482  -0.695
   68    HB2  GLU  10           HB2      GLU  10  -0.044  13.381   1.943
   69    HB3  GLU  10           HB1      GLU  10   0.798  13.184   0.424
   70    HG2  GLU  10           HG2      GLU  10   1.927  14.921   1.400
   71    HG3  GLU  10           HG1      GLU  10   0.788  15.756   0.359
   72    H    LEU  11           HN       LEU  11  -2.647  12.437   1.573
   73    HA   LEU  11           HA       LEU  11  -1.813  10.124   0.283
   74    HB2  LEU  11           HB2      LEU  11  -4.106  10.455   2.209
   75    HB3  LEU  11           HB1      LEU  11  -3.549   8.892   1.662
   76    HG   LEU  11           HG       LEU  11  -1.943  10.870   3.279
   77   HD11  LEU  11          HD11      LEU  11  -3.788   9.894   4.533
   78   HD12  LEU  11          HD12      LEU  11  -2.237   9.282   5.099
   79   HD13  LEU  11          HD13      LEU  11  -3.258   8.277   4.067
   80   HD21  LEU  11          HD21      LEU  11  -1.325   8.047   2.410
   81   HD22  LEU  11          HD22      LEU  11  -0.362   9.002   3.534
   82   HD23  LEU  11          HD23      LEU  11  -0.511   9.512   1.856
   83    H    LYS  12           HN       LYS  12  -4.825  11.969   0.117
   84    HA   LYS  12           HA       LYS  12  -6.327  10.098  -1.351
   85    HB2  LYS  12           HB2      LYS  12  -6.537  13.093  -1.224
   86    HB3  LYS  12           HB1      LYS  12  -7.752  12.039  -1.925
   87    HG2  LYS  12           HG2      LYS  12  -8.127  11.004   0.266
   88    HG3  LYS  12           HG1      LYS  12  -6.879  12.031   0.957
   89    HD2  LYS  12           HD2      LYS  12  -9.405  13.068  -0.347
   90    HD3  LYS  12           HD1      LYS  12  -9.170  12.892   1.394
   91    HE2  LYS  12           HE2      LYS  12  -7.270  14.457   1.279
   92    HE3  LYS  12           HE1      LYS  12  -7.533  14.645  -0.449
   93    HZ1  LYS  12           HZ1      LYS  12  -9.625  15.683  -0.034
   94    HZ2  LYS  12           HZ2      LYS  12  -8.457  16.430   0.947
   95    HZ3  LYS  12           HZ3      LYS  12  -9.545  15.353   1.612
   96    H    GLU  13           HN       GLU  13  -4.113  12.721  -2.374
   97    HA   GLU  13           HA       GLU  13  -4.792  12.388  -5.089
   98    HB2  GLU  13           HB2      GLU  13  -2.439  13.813  -3.874
   99    HB3  GLU  13           HB1      GLU  13  -3.018  13.980  -5.528
  100    HG2  GLU  13           HG2      GLU  13  -5.222  14.701  -4.504
  101    HG3  GLU  13           HG1      GLU  13  -4.340  14.858  -2.993
  102    H    MET  14           HN       MET  14  -2.975  10.363  -3.136
  103    HA   MET  14           HA       MET  14  -1.183   9.691  -5.342
  104    HB2  MET  14           HB2      MET  14  -1.196   8.638  -2.510
  105    HB3  MET  14           HB1      MET  14  -0.070   8.148  -3.764
  106    HG2  MET  14           HG2      MET  14   0.578  10.621  -3.874
  107    HG3  MET  14           HG1      MET  14  -0.313  10.775  -2.379
  108    HE1  MET  14           HE1      MET  14   0.263   7.928  -0.980
  109    HE2  MET  14           HE2      MET  14   0.277   9.470  -0.122
  110    HE3  MET  14           HE3      MET  14   1.633   8.357   0.047
  111    H    ALA  15           HN       ALA  15  -0.908   7.373  -5.782
  112    HA   ALA  15           HA       ALA  15  -3.448   6.164  -6.460
  113    HB1  ALA  15           HB1      ALA  15  -0.701   4.925  -6.412
  114    HB2  ALA  15           HB2      ALA  15  -1.398   5.782  -7.785
  115    HB3  ALA  15           HB3      ALA  15  -2.132   4.286  -7.215
  116    H    LEU  16           HN       LEU  16  -4.518   4.515  -5.492
  117    HA   LEU  16           HA       LEU  16  -4.396   4.329  -2.763
  118    HB2  LEU  16           HB2      LEU  16  -5.478   2.210  -4.632
  119    HB3  LEU  16           HB1      LEU  16  -5.828   2.287  -2.920
  120    HG   LEU  16           HG       LEU  16  -6.674   4.297  -5.006
  121   HD11  LEU  16          HD11      LEU  16  -8.252   2.269  -3.434
  122   HD12  LEU  16          HD12      LEU  16  -7.893   2.206  -5.159
  123   HD13  LEU  16          HD13      LEU  16  -8.928   3.483  -4.519
  124   HD21  LEU  16          HD21      LEU  16  -8.001   5.297  -3.191
  125   HD22  LEU  16          HD22      LEU  16  -6.271   5.401  -2.879
  126   HD23  LEU  16          HD23      LEU  16  -7.246   4.190  -2.044
  127    H    VAL  17           HN       VAL  17  -2.698   2.396  -5.089
  128    HA   VAL  17           HA       VAL  17  -1.706   0.549  -3.226
  129    HB   VAL  17           HB       VAL  17  -0.002  -0.030  -4.925
  130   HG11  VAL  17          HG11      VAL  17  -2.800   0.238  -5.998
  131   HG12  VAL  17          HG12      VAL  17  -2.198  -1.059  -4.964
  132   HG13  VAL  17          HG13      VAL  17  -1.552  -0.862  -6.591
  133   HG21  VAL  17          HG21      VAL  17   0.391   2.185  -5.887
  134   HG22  VAL  17          HG22      VAL  17  -1.258   2.216  -6.507
  135   HG23  VAL  17          HG23      VAL  17  -0.102   1.046  -7.143
  136    H    GLU  18           HN       GLU  18  -0.563   3.869  -4.003
  137    HA   GLU  18           HA       GLU  18   2.038   3.493  -2.924
  138    HB2  GLU  18           HB2      GLU  18   0.371   5.957  -3.462
  139    HB3  GLU  18           HB1      GLU  18   2.048   5.993  -2.957
  140    HG2  GLU  18           HG2      GLU  18   2.656   4.805  -5.029
  141    HG3  GLU  18           HG1      GLU  18   0.976   4.868  -5.534
  142    H    ILE  19           HN       ILE  19  -1.139   4.573  -1.850
  143    HA   ILE  19           HA       ILE  19  -0.445   5.401   0.764
  144    HB   ILE  19           HB       ILE  19  -3.043   4.093  -0.145
  145   HG12  ILE  19          HG12      ILE  19  -2.272   7.026  -0.231
  146   HG13  ILE  19          HG11      ILE  19  -2.393   5.966  -1.625
  147   HG21  ILE  19          HG21      ILE  19  -4.057   5.419   1.661
  148   HG22  ILE  19          HG22      ILE  19  -2.465   6.043   2.094
  149   HG23  ILE  19          HG23      ILE  19  -2.821   4.328   2.286
  150   HD11  ILE  19          HD11      ILE  19  -4.350   7.344  -1.452
  151   HD12  ILE  19          HD12      ILE  19  -4.620   6.791   0.197
  152   HD13  ILE  19          HD13      ILE  19  -4.789   5.659  -1.148
  153    H    ALA  20           HN       ALA  20  -1.517   2.361  -0.680
  154    HA   ALA  20           HA       ALA  20  -1.573   0.791   1.585
  155    HB1  ALA  20           HB1      ALA  20  -2.491   0.099  -0.587
  156    HB2  ALA  20           HB2      ALA  20  -1.451  -1.136   0.126
  157    HB3  ALA  20           HB3      ALA  20  -0.849  -0.128  -1.191
  158    H    HIS  21           HN       HIS  21   1.203   1.611  -0.443
  159    HA   HIS  21           HA       HIS  21   3.092  -0.081   0.753
  160    HB2  HIS  21           HB2      HIS  21   3.697   1.217  -1.236
  161    HB3  HIS  21           HB1      HIS  21   3.523   2.708  -0.323
  162    HD1  HIS  21           HD1      HIS  21   5.668   3.619   0.692
  163    HD2  HIS  21           HD2      HIS  21   5.905  -0.459  -0.060
  164    HE1  HIS  21           HE1      HIS  21   8.021   2.988   1.146
  165    HE2  HIS  21           HE2      HIS  21   7.790   0.557   1.398
  166    H    GLU  22           HN       GLU  22   2.162   3.255   1.594
  167    HA   GLU  22           HA       GLU  22   3.995   3.408   3.729
  168    HB2  GLU  22           HB2      GLU  22   1.492   5.005   3.246
  169    HB3  GLU  22           HB1      GLU  22   2.750   5.396   4.408
  170    HG2  GLU  22           HG2      GLU  22   2.943   5.389   1.423
  171    HG3  GLU  22           HG1      GLU  22   2.995   6.740   2.574
  172    H    LEU  23           HN       LEU  23   0.609   2.588   3.488
  173    HA   LEU  23           HA       LEU  23   0.046   2.396   6.214
  174    HB2  LEU  23           HB2      LEU  23  -1.629   2.375   4.375
  175    HB3  LEU  23           HB1      LEU  23  -1.109   0.757   3.959
  176    HG   LEU  23           HG       LEU  23  -1.870  -0.040   6.162
  177   HD11  LEU  23          HD11      LEU  23  -1.647   1.917   7.492
  178   HD12  LEU  23          HD12      LEU  23  -3.352   1.459   7.493
  179   HD13  LEU  23          HD13      LEU  23  -2.792   2.804   6.500
  180   HD21  LEU  23          HD21      LEU  23  -3.339  -0.194   4.230
  181   HD22  LEU  23          HD22      LEU  23  -3.961   1.421   4.547
  182   HD23  LEU  23          HD23      LEU  23  -4.266   0.117   5.697
  183    H    PHE  24           HN       PHE  24   1.279   0.080   3.951
  184    HA   PHE  24           HA       PHE  24   1.495  -2.115   5.790
  185    HB2  PHE  24           HB2      PHE  24   2.150  -1.485   3.102
  186    HB3  PHE  24           HB1      PHE  24   3.345  -2.565   3.834
  187    HD1  PHE  24           HD2      PHE  24   2.156  -4.623   5.050
  188    HD2  PHE  24           HD1      PHE  24   0.429  -2.308   1.946
  189    HE1  PHE  24           HE2      PHE  24   0.681  -6.499   4.476
  190    HE2  PHE  24           HE1      PHE  24  -1.039  -4.173   1.358
  191    HZ   PHE  24           HZ       PHE  24  -0.917  -6.280   2.623
  192    H    GLU  25           HN       GLU  25   3.734   0.386   4.640
  193    HA   GLU  25           HA       GLU  25   6.077  -0.605   5.868
  194    HB2  GLU  25           HB2      GLU  25   5.696   1.252   4.039
  195    HB3  GLU  25           HB1      GLU  25   5.544   2.331   5.409
  196    HG2  GLU  25           HG2      GLU  25   7.768   2.519   4.604
  197    HG3  GLU  25           HG1      GLU  25   7.851   1.609   6.108
  198    H    GLU  26           HN       GLU  26   3.431   1.330   6.956
  199    HA   GLU  26           HA       GLU  26   4.556   1.987   9.518
  200    HB2  GLU  26           HB2      GLU  26   3.063   3.590   8.554
  201    HB3  GLU  26           HB1      GLU  26   1.855   2.377   8.219
  202    HG2  GLU  26           HG2      GLU  26   2.543   2.968  11.062
  203    HG3  GLU  26           HG1      GLU  26   1.574   4.127  10.164
  204    H    HIS  27           HN       HIS  27   2.262  -0.255   8.195
  205    HA   HIS  27           HA       HIS  27   1.449  -1.345  10.674
  206    HB2  HIS  27           HB2      HIS  27   1.100  -2.289   7.873
  207    HB3  HIS  27           HB1      HIS  27   0.648  -3.313   9.224
  208    HD1  HIS  27           HD1      HIS  27  -0.229  -0.199  10.558
  209    HD2  HIS  27           HD2      HIS  27  -1.711  -2.409   7.366
  210    HE1  HIS  27           HE1      HIS  27  -2.607   0.458  10.360
  211    HE2  HIS  27           HE2      HIS  27  -3.571  -1.133   8.728
  212    H    LYS  28           HN       LYS  28   3.788  -2.528   8.254
  213    HA   LYS  28           HA       LYS  28   5.533  -4.433   8.582
  214    HB2  LYS  28           HB2      LYS  28   5.221  -3.520  11.417
  215    HB3  LYS  28           HB1      LYS  28   6.651  -4.154  10.603
  216    HG2  LYS  28           HG2      LYS  28   6.825  -2.049   9.330
  217    HG3  LYS  28           HG1      LYS  28   5.445  -1.421  10.221
  218    HD2  LYS  28           HD2      LYS  28   6.752  -1.720  12.313
  219    HD3  LYS  28           HD1      LYS  28   8.132  -2.191  11.320
  220    HE2  LYS  28           HE2      LYS  28   7.880  -0.002  10.108
  221    HE3  LYS  28           HE1      LYS  28   6.717   0.462  11.349
  222    HZ1  LYS  28           HZ1      LYS  28   8.480   0.099  13.013
  223    HZ2  LYS  28           HZ2      LYS  28   8.892   1.273  11.879
  224    HZ3  LYS  28           HZ3      LYS  28   9.531  -0.284  11.740
  225    H    LYS  29           HN       LYS  29   2.685  -4.828   8.662
  226    HA   LYS  29           HA       LYS  29   3.284  -7.593   9.270
  227    HB2  LYS  29           HB2      LYS  29   0.948  -7.852  10.249
  228    HB3  LYS  29           HB1      LYS  29   2.144  -7.045  11.241
  229    HG2  LYS  29           HG2      LYS  29   0.047  -5.886  11.454
  230    HG3  LYS  29           HG1      LYS  29   1.149  -4.850  10.557
  231    HD2  LYS  29           HD2      LYS  29  -0.911  -4.681   9.376
  232    HD3  LYS  29           HD1      LYS  29   0.069  -5.818   8.457
  233    HE2  LYS  29           HE2      LYS  29  -2.209  -6.707   8.663
  234    HE3  LYS  29           HE1      LYS  29  -1.077  -7.705   9.550
  235    HZ1  LYS  29           HZ1      LYS  29  -3.097  -7.344  10.759
  236    HZ2  LYS  29           HZ2      LYS  29  -2.888  -5.673  10.733
  237    HZ3  LYS  29           HZ3      LYS  29  -1.820  -6.639  11.599
  238    HA   PRO  30           HA       PRO  30   1.093  -8.417   5.395
  239    HB2  PRO  30           HB2      PRO  30   0.176 -10.940   6.605
  240    HB3  PRO  30           HB1      PRO  30   1.240 -10.687   5.221
  241    HG2  PRO  30           HG2      PRO  30   2.226 -11.621   7.525
  242    HG3  PRO  30           HG1      PRO  30   3.136 -10.437   6.565
  243    HD2  PRO  30           HD2      PRO  30   1.444  -9.970   8.977
  244    HD3  PRO  30           HD1      PRO  30   3.085  -9.403   8.602
  245    H    VAL  31           HN       VAL  31  -1.067  -7.994   4.668
  246    HA   VAL  31           HA       VAL  31  -3.102  -8.218   6.754
  247    HB   VAL  31           HB       VAL  31  -3.354  -6.145   4.601
  248   HG11  VAL  31          HG11      VAL  31  -4.675  -4.902   6.233
  249   HG12  VAL  31          HG12      VAL  31  -4.425  -6.227   7.370
  250   HG13  VAL  31          HG13      VAL  31  -5.304  -6.513   5.862
  251   HG21  VAL  31          HG21      VAL  31  -1.865  -5.567   7.169
  252   HG22  VAL  31          HG22      VAL  31  -2.388  -4.393   5.955
  253   HG23  VAL  31          HG23      VAL  31  -1.198  -5.618   5.532
  254    HA   PRO  32           HA       PRO  32  -5.540 -10.502   3.518
  255    HB2  PRO  32           HB2      PRO  32  -7.755  -9.300   5.092
  256    HB3  PRO  32           HB1      PRO  32  -7.525 -10.977   4.603
  257    HG2  PRO  32           HG2      PRO  32  -7.142 -10.289   7.117
  258    HG3  PRO  32           HG1      PRO  32  -5.995 -11.390   6.329
  259    HD2  PRO  32           HD2      PRO  32  -5.709  -8.472   6.925
  260    HD3  PRO  32           HD1      PRO  32  -4.511  -9.776   7.068
  261    H    PHE  33           HN       PHE  33  -6.743  -9.827   1.678
  262    HA   PHE  33           HA       PHE  33  -6.304  -7.312   0.731
  263    HB2  PHE  33           HB2      PHE  33  -6.733  -9.255  -0.690
  264    HB3  PHE  33           HB1      PHE  33  -8.405  -9.296  -0.152
  265    HD1  PHE  33           HD2      PHE  33  -5.956  -7.516  -2.215
  266    HD2  PHE  33           HD1      PHE  33 -10.033  -7.719  -1.024
  267    HE1  PHE  33           HE2      PHE  33  -6.568  -6.008  -4.053
  268    HE2  PHE  33           HE1      PHE  33 -10.652  -6.210  -2.864
  269    HZ   PHE  33           HZ       PHE  33  -8.920  -5.351  -4.379
  270    H    GLN  34           HN       GLN  34  -9.499  -8.592   1.780
  271    HA   GLN  34           HA       GLN  34 -10.749  -6.148   1.411
  272    HB2  GLN  34           HB2      GLN  34 -12.669  -7.123   2.574
  273    HB3  GLN  34           HB1      GLN  34 -11.987  -8.248   1.414
  274    HG2  GLN  34           HG2      GLN  34 -12.228  -9.715   3.101
  275    HG3  GLN  34           HG1      GLN  34 -10.700  -9.036   3.642
  276   HE21  GLN  34          HE21      GLN  34 -12.139  -6.472   4.496
  277   HE22  GLN  34          HE22      GLN  34 -12.861  -6.916   5.974
  278    H    GLU  35           HN       GLU  35  -8.916  -7.255   4.068
  279    HA   GLU  35           HA       GLU  35 -10.006  -5.424   6.017
  280    HB2  GLU  35           HB2      GLU  35  -7.543  -7.169   5.952
  281    HB3  GLU  35           HB1      GLU  35  -7.931  -6.117   7.306
  282    HG2  GLU  35           HG2      GLU  35  -9.814  -8.220   6.301
  283    HG3  GLU  35           HG1      GLU  35  -8.598  -8.539   7.539
  284    H    LEU  36           HN       LEU  36  -7.098  -5.733   4.049
  285    HA   LEU  36           HA       LEU  36  -5.823  -3.333   4.781
  286    HB2  LEU  36           HB2      LEU  36  -4.674  -5.033   3.529
  287    HB3  LEU  36           HB1      LEU  36  -5.813  -4.955   2.219
  288    HG   LEU  36           HG       LEU  36  -4.999  -2.584   1.836
  289   HD11  LEU  36          HD11      LEU  36  -2.789  -3.481   3.664
  290   HD12  LEU  36          HD12      LEU  36  -3.976  -2.222   3.994
  291   HD13  LEU  36          HD13      LEU  36  -2.802  -2.008   2.693
  292   HD21  LEU  36          HD21      LEU  36  -3.073  -4.875   1.481
  293   HD22  LEU  36          HD22      LEU  36  -3.006  -3.336   0.617
  294   HD23  LEU  36          HD23      LEU  36  -4.377  -4.420   0.384
  295    H    LEU  37           HN       LEU  37  -8.266  -4.162   2.369
  296    HA   LEU  37           HA       LEU  37  -8.502  -1.708   1.055
  297    HB2  LEU  37           HB2      LEU  37  -9.357  -3.848   0.227
  298    HB3  LEU  37           HB1      LEU  37 -10.518  -3.887   1.533
  299    HG   LEU  37           HG       LEU  37 -11.568  -1.842   0.590
  300   HD11  LEU  37          HD11      LEU  37 -11.035  -1.224  -1.717
  301   HD12  LEU  37          HD12      LEU  37  -9.676  -2.351  -1.698
  302   HD13  LEU  37          HD13      LEU  37  -9.677  -0.952  -0.626
  303   HD21  LEU  37          HD21      LEU  37 -12.684  -3.018  -1.238
  304   HD22  LEU  37          HD22      LEU  37 -12.450  -4.077   0.155
  305   HD23  LEU  37          HD23      LEU  37 -11.396  -4.225  -1.251
  306    H    ASN  38           HN       ASN  38 -10.211  -3.043   3.860
  307    HA   ASN  38           HA       ASN  38 -12.051  -0.904   4.186
  308    HB2  ASN  38           HB2      ASN  38 -12.262  -3.209   5.227
  309    HB3  ASN  38           HB1      ASN  38 -11.002  -2.745   6.361
  310   HD21  ASN  38          HD21      ASN  38 -14.327  -2.464   5.511
  311   HD22  ASN  38          HD22      ASN  38 -14.844  -1.577   6.887
  312    H    GLU  39           HN       GLU  39  -8.781  -1.467   5.291
  313    HA   GLU  39           HA       GLU  39  -8.712   0.765   7.054
  314    HB2  GLU  39           HB2      GLU  39  -6.418  -0.675   5.709
  315    HB3  GLU  39           HB1      GLU  39  -6.256   0.490   7.013
  316    HG2  GLU  39           HG2      GLU  39  -7.643  -1.054   8.425
  317    HG3  GLU  39           HG1      GLU  39  -7.521  -2.227   7.120
  318    H    ILE  40           HN       ILE  40  -7.669   0.243   3.708
  319    HA   ILE  40           HA       ILE  40  -6.648   2.777   3.208
  320    HB   ILE  40           HB       ILE  40  -7.983   0.841   1.288
  321   HG12  ILE  40          HG12      ILE  40  -5.064   1.456   1.818
  322   HG13  ILE  40          HG11      ILE  40  -5.930   0.049   2.421
  323   HG21  ILE  40          HG21      ILE  40  -8.071   3.088   0.323
  324   HG22  ILE  40          HG22      ILE  40  -6.895   2.094  -0.537
  325   HG23  ILE  40          HG23      ILE  40  -6.347   3.301   0.627
  326   HD11  ILE  40          HD11      ILE  40  -5.403   0.698  -0.471
  327   HD12  ILE  40          HD12      ILE  40  -6.266  -0.719   0.127
  328   HD13  ILE  40          HD13      ILE  40  -4.555  -0.506   0.498
  329    H    ALA  41           HN       ALA  41  -9.901   1.500   2.865
  330    HA   ALA  41           HA       ALA  41 -11.286   3.690   1.783
  331    HB1  ALA  41           HB1      ALA  41 -12.234   1.418   2.087
  332    HB2  ALA  41           HB2      ALA  41 -13.277   2.695   2.717
  333    HB3  ALA  41           HB3      ALA  41 -12.311   1.719   3.823
  334    H    SER  42           HN       SER  42 -10.648   2.877   4.987
  335    HA   SER  42           HA       SER  42 -11.874   5.212   6.136
  336    HB2  SER  42           HB2      SER  42 -11.523   2.943   7.320
  337    HB3  SER  42           HB1      SER  42  -9.850   3.450   7.539
  338    HG   SER  42           HG       SER  42 -12.209   4.608   8.522
  339    H    LEU  43           HN       LEU  43  -8.568   4.583   5.110
  340    HA   LEU  43           HA       LEU  43  -7.445   6.848   6.312
  341    HB2  LEU  43           HB2      LEU  43  -6.690   5.462   3.747
  342    HB3  LEU  43           HB1      LEU  43  -5.701   6.640   4.582
  343    HG   LEU  43           HG       LEU  43  -6.497   3.951   5.685
  344   HD11  LEU  43          HD11      LEU  43  -3.874   4.897   4.572
  345   HD12  LEU  43          HD12      LEU  43  -4.990   3.800   3.774
  346   HD13  LEU  43          HD13      LEU  43  -4.211   3.318   5.279
  347   HD21  LEU  43          HD21      LEU  43  -4.804   4.430   7.399
  348   HD22  LEU  43          HD22      LEU  43  -6.123   5.594   7.448
  349   HD23  LEU  43          HD23      LEU  43  -4.578   6.044   6.723
  350    H    LEU  44           HN       LEU  44  -9.117   6.393   3.253
  351    HA   LEU  44           HA       LEU  44  -8.646   9.156   2.556
  352    HB2  LEU  44           HB2      LEU  44 -10.089   6.968   1.108
  353    HB3  LEU  44           HB1      LEU  44 -10.203   8.631   0.585
  354    HG   LEU  44           HG       LEU  44  -7.681   8.592   0.339
  355   HD11  LEU  44          HD11      LEU  44  -7.152   6.697   1.717
  356   HD12  LEU  44          HD12      LEU  44  -6.636   6.403   0.052
  357   HD13  LEU  44          HD13      LEU  44  -8.095   5.638   0.672
  358   HD21  LEU  44          HD21      LEU  44  -7.769   7.438  -1.812
  359   HD22  LEU  44          HD22      LEU  44  -9.173   8.475  -1.558
  360   HD23  LEU  44          HD23      LEU  44  -9.321   6.729  -1.362
  361    H    GLY  45           HN       GLY  45 -10.984   7.568   4.424
  362    HA2  GLY  45           HA2      GLY  45 -12.832   8.439   5.448
  363    HA3  GLY  45           HA1      GLY  45 -12.584   9.938   4.553
  364    H    VAL  46           HN       VAL  46 -12.802   6.807   2.980
  365    HA   VAL  46           HA       VAL  46 -15.389   7.628   1.840
  366    HB   VAL  46           HB       VAL  46 -14.714   6.660  -0.308
  367   HG11  VAL  46          HG11      VAL  46 -12.740   8.712   0.667
  368   HG12  VAL  46          HG12      VAL  46 -14.326   9.025  -0.039
  369   HG13  VAL  46          HG13      VAL  46 -13.046   8.313  -1.023
  370   HG21  VAL  46          HG21      VAL  46 -12.022   6.220   0.981
  371   HG22  VAL  46          HG22      VAL  46 -12.354   6.039  -0.739
  372   HG23  VAL  46          HG23      VAL  46 -13.139   4.971   0.428
  373    H    LYS  47           HN       LYS  47 -16.684   5.879   1.131
  374    HA   LYS  47           HA       LYS  47 -16.457   3.580   2.868
  375    HB2  LYS  47           HB2      LYS  47 -18.603   4.813   2.361
  376    HB3  LYS  47           HB1      LYS  47 -18.478   4.241   0.710
  377    HG2  LYS  47           HG2      LYS  47 -18.648   1.947   1.502
  378    HG3  LYS  47           HG1      LYS  47 -18.810   2.529   3.164
  379    HD2  LYS  47           HD2      LYS  47 -20.818   3.835   2.444
  380    HD3  LYS  47           HD1      LYS  47 -20.693   3.069   0.860
  381    HE2  LYS  47           HE2      LYS  47 -20.951   0.867   1.930
  382    HE3  LYS  47           HE1      LYS  47 -21.116   1.667   3.490
  383    HZ1  LYS  47           HZ1      LYS  47 -22.950   1.923   1.181
  384    HZ2  LYS  47           HZ2      LYS  47 -23.097   2.799   2.603
  385    HZ3  LYS  47           HZ3      LYS  47 -23.275   1.123   2.631
  386    H    LYS  48           HN       LYS  48 -15.763   1.496   2.109
  387    HA   LYS  48           HA       LYS  48 -14.156   1.252  -0.024
  388    HB2  LYS  48           HB2      LYS  48 -14.537  -1.227   0.186
  389    HB3  LYS  48           HB1      LYS  48 -14.095  -0.387   1.660
  390    HG2  LYS  48           HG2      LYS  48 -16.479  -0.412   2.351
  391    HG3  LYS  48           HG1      LYS  48 -16.865  -1.301   0.883
  392    HD2  LYS  48           HD2      LYS  48 -14.912  -2.282   2.965
  393    HD3  LYS  48           HD1      LYS  48 -16.618  -2.709   2.949
  394    HE2  LYS  48           HE2      LYS  48 -14.687  -3.267   0.687
  395    HE3  LYS  48           HE1      LYS  48 -15.144  -4.429   1.925
  396    HZ1  LYS  48           HZ1      LYS  48 -17.427  -4.295   1.181
  397    HZ2  LYS  48           HZ2      LYS  48 -16.432  -4.727  -0.093
  398    HZ3  LYS  48           HZ3      LYS  48 -17.049  -3.172  -0.015
  399    H    GLU  49           HN       GLU  49 -17.562   0.912   0.078
  400    HA   GLU  49           HA       GLU  49 -18.075  -0.411  -2.356
  401    HB2  GLU  49           HB2      GLU  49 -19.955   1.347  -0.802
  402    HB3  GLU  49           HB1      GLU  49 -20.375   0.041  -1.903
  403    HG2  GLU  49           HG2      GLU  49 -18.920  -0.278   0.719
  404    HG3  GLU  49           HG1      GLU  49 -20.617  -0.624   0.443
  405    H    GLU  50           HN       GLU  50 -17.388   2.908  -1.623
  406    HA   GLU  50           HA       GLU  50 -18.621   3.719  -4.118
  407    HB2  GLU  50           HB2      GLU  50 -18.244   6.021  -3.491
  408    HB3  GLU  50           HB1      GLU  50 -18.977   5.173  -2.146
  409    HG2  GLU  50           HG2      GLU  50 -16.724   4.995  -1.122
  410    HG3  GLU  50           HG1      GLU  50 -16.106   5.999  -2.432
  411    H    LEU  51           HN       LEU  51 -15.754   2.487  -3.166
  412    HA   LEU  51           HA       LEU  51 -14.028   3.960  -4.881
  413    HB2  LEU  51           HB2      LEU  51 -13.766   1.171  -3.760
  414    HB3  LEU  51           HB1      LEU  51 -12.502   1.970  -4.675
  415    HG   LEU  51           HG       LEU  51 -13.593   2.901  -2.010
  416   HD11  LEU  51          HD11      LEU  51 -10.966   1.604  -2.708
  417   HD12  LEU  51          HD12      LEU  51 -12.286   0.863  -1.802
  418   HD13  LEU  51          HD13      LEU  51 -11.419   2.241  -1.126
  419   HD21  LEU  51          HD21      LEU  51 -12.839   4.785  -3.350
  420   HD22  LEU  51          HD22      LEU  51 -11.331   3.948  -3.709
  421   HD23  LEU  51          HD23      LEU  51 -11.678   4.462  -2.060
  422    H    GLY  52           HN       GLY  52 -15.899   0.896  -5.323
  423    HA2  GLY  52           HA2      GLY  52 -17.042   0.223  -7.151
  424    HA3  GLY  52           HA1      GLY  52 -16.796   1.818  -7.831
  425    H    ASP  53           HN       ASP  53 -14.974   2.178  -8.891
  426    HA   ASP  53           HA       ASP  53 -14.218  -0.065 -10.695
  427    HB2  ASP  53           HB2      ASP  53 -13.707   2.906 -11.090
  428    HB3  ASP  53           HB1      ASP  53 -13.234   1.653 -12.220
  429    H    ARG  54           HN       ARG  54 -13.049   1.960  -8.244
  430    HA   ARG  54           HA       ARG  54 -10.275   1.799  -8.930
  431    HB2  ARG  54           HB2      ARG  54 -11.785   2.960  -6.598
  432    HB3  ARG  54           HB1      ARG  54 -10.051   2.718  -6.496
  433    HG2  ARG  54           HG2      ARG  54 -10.517   5.006  -7.083
  434    HG3  ARG  54           HG1      ARG  54  -9.756   4.200  -8.447
  435    HD2  ARG  54           HD2      ARG  54 -11.981   3.940  -9.492
  436    HD3  ARG  54           HD1      ARG  54 -12.698   4.806  -8.132
  437    HE   ARG  54           HE       ARG  54 -10.670   6.388  -9.122
  438   HH11  ARG  54          HH11      ARG  54 -13.833   5.229 -10.205
  439   HH12  ARG  54          HH12      ARG  54 -14.062   6.472 -11.337
  440   HH21  ARG  54          HH21      ARG  54 -11.018   8.131 -10.677
  441   HH22  ARG  54          HH22      ARG  54 -12.465   8.149 -11.583
  442    H    ILE  55           HN       ILE  55 -12.570  -0.145  -7.415
  443    HA   ILE  55           HA       ILE  55 -10.844  -1.600  -5.644
  444    HB   ILE  55           HB       ILE  55 -13.439  -2.441  -6.970
  445   HG12  ILE  55          HG12      ILE  55 -13.734  -0.572  -5.422
  446   HG13  ILE  55          HG11      ILE  55 -14.460  -2.049  -4.792
  447   HG21  ILE  55          HG21      ILE  55 -11.953  -3.819  -4.731
  448   HG22  ILE  55          HG22      ILE  55 -12.169  -4.425  -6.374
  449   HG23  ILE  55          HG23      ILE  55 -13.562  -4.254  -5.310
  450   HD11  ILE  55          HD11      ILE  55 -11.841  -0.851  -3.928
  451   HD12  ILE  55          HD12      ILE  55 -12.512  -2.372  -3.354
  452   HD13  ILE  55          HD13      ILE  55 -13.356  -0.862  -3.019
  453    H    ALA  56           HN       ALA  56 -12.065  -2.228  -8.873
  454    HA   ALA  56           HA       ALA  56 -10.522  -4.542  -9.325
  455    HB1  ALA  56           HB1      ALA  56 -12.557  -4.031 -10.582
  456    HB2  ALA  56           HB2      ALA  56 -11.182  -4.269 -11.659
  457    HB3  ALA  56           HB3      ALA  56 -11.760  -2.638 -11.312
  458    H    GLN  57           HN       GLN  57  -9.973  -1.125  -9.857
  459    HA   GLN  57           HA       GLN  57  -7.625  -1.375 -11.435
  460    HB2  GLN  57           HB2      GLN  57  -9.128   0.721 -10.959
  461    HB3  GLN  57           HB1      GLN  57  -8.138   0.906  -9.527
  462    HG2  GLN  57           HG2      GLN  57  -7.158   0.960 -12.381
  463    HG3  GLN  57           HG1      GLN  57  -7.411   2.360 -11.361
  464   HE21  GLN  57          HE21      GLN  57  -5.355  -0.261 -12.194
  465   HE22  GLN  57          HE22      GLN  57  -4.002   0.207 -11.239
  466    H    PHE  58           HN       PHE  58  -8.126  -0.668  -7.952
  467    HA   PHE  58           HA       PHE  58  -5.478  -0.834  -7.167
  468    HB2  PHE  58           HB2      PHE  58  -7.056   0.043  -5.579
  469    HB3  PHE  58           HB1      PHE  58  -7.993  -1.450  -5.595
  470    HD1  PHE  58           HD2      PHE  58  -4.888   0.155  -4.348
  471    HD2  PHE  58           HD1      PHE  58  -7.290  -3.372  -4.357
  472    HE1  PHE  58           HE2      PHE  58  -3.593  -0.748  -2.477
  473    HE2  PHE  58           HE1      PHE  58  -5.986  -4.290  -2.547
  474    HZ   PHE  58           HZ       PHE  58  -4.131  -2.966  -1.556
  475    H    TYR  59           HN       TYR  59  -7.904  -3.437  -7.344
  476    HA   TYR  59           HA       TYR  59  -6.385  -5.538  -6.348
  477    HB2  TYR  59           HB2      TYR  59  -8.834  -5.588  -6.956
  478    HB3  TYR  59           HB1      TYR  59  -8.360  -5.665  -8.642
  479    HD1  TYR  59           HD1      TYR  59  -7.288  -7.739  -9.526
  480    HD2  TYR  59           HD2      TYR  59  -8.764  -7.516  -5.552
  481    HE1  TYR  59           HE1      TYR  59  -7.299 -10.195  -9.397
  482    HE2  TYR  59           HE2      TYR  59  -8.764  -9.968  -5.412
  483    HH   TYR  59           HH       TYR  59  -8.858 -11.828  -6.817
  484    H    THR  60           HN       THR  60  -6.724  -4.400  -9.703
  485    HA   THR  60           HA       THR  60  -4.842  -6.199 -10.825
  486    HB   THR  60           HB       THR  60  -5.500  -3.385 -11.762
  487    HG1  THR  60           HG1      THR  60  -7.416  -4.396 -11.743
  488   HG21  THR  60          HG21      THR  60  -3.531  -4.372 -12.847
  489   HG22  THR  60          HG22      THR  60  -4.869  -4.219 -13.984
  490   HG23  THR  60          HG23      THR  60  -4.480  -5.793 -13.286
  491    H    ASP  61           HN       ASP  61  -4.329  -2.916  -9.642
  492    HA   ASP  61           HA       ASP  61  -1.596  -2.908 -10.470
  493    HB2  ASP  61           HB2      ASP  61  -3.101  -0.882  -9.963
  494    HB3  ASP  61           HB1      ASP  61  -2.663  -1.137  -8.281
  495    H    LEU  62           HN       LEU  62  -3.151  -3.485  -7.353
  496    HA   LEU  62           HA       LEU  62  -0.878  -3.873  -5.709
  497    HB2  LEU  62           HB2      LEU  62  -3.106  -3.615  -4.787
  498    HB3  LEU  62           HB1      LEU  62  -3.639  -5.085  -5.574
  499    HG   LEU  62           HG       LEU  62  -1.769  -6.196  -4.118
  500   HD11  LEU  62          HD11      LEU  62  -0.778  -4.202  -3.266
  501   HD12  LEU  62          HD12      LEU  62  -1.475  -5.149  -1.953
  502   HD13  LEU  62          HD13      LEU  62  -2.308  -3.710  -2.544
  503   HD21  LEU  62          HD21      LEU  62  -4.351  -5.246  -2.929
  504   HD22  LEU  62          HD22      LEU  62  -3.370  -6.579  -2.326
  505   HD23  LEU  62          HD23      LEU  62  -4.131  -6.692  -3.914
  506    H    ASN  63           HN       ASN  63  -2.898  -6.128  -7.558
  507    HA   ASN  63           HA       ASN  63  -1.462  -8.373  -6.609
  508    HB2  ASN  63           HB2      ASN  63  -3.604  -8.141  -8.719
  509    HB3  ASN  63           HB1      ASN  63  -2.796  -9.652  -8.356
  510   HD21  ASN  63          HD21      ASN  63  -4.013  -7.141  -5.884
  511   HD22  ASN  63          HD22      ASN  63  -5.091  -8.297  -5.222
  512    H    ILE  64           HN       ILE  64  -0.859  -6.200  -9.101
  513    HA   ILE  64           HA       ILE  64   1.258  -8.025  -9.976
  514    HB   ILE  64           HB       ILE  64   1.334  -7.035 -12.233
  515   HG12  ILE  64          HG12      ILE  64  -1.291  -5.670 -11.530
  516   HG13  ILE  64          HG11      ILE  64   0.247  -4.849 -11.743
  517   HG21  ILE  64          HG21      ILE  64  -1.299  -8.270 -11.493
  518   HG22  ILE  64          HG22      ILE  64   0.189  -9.106 -11.949
  519   HG23  ILE  64          HG23      ILE  64  -0.677  -8.125 -13.135
  520   HD11  ILE  64          HD11      ILE  64  -1.264  -6.360 -13.866
  521   HD12  ILE  64          HD12      ILE  64   0.271  -5.522 -14.093
  522   HD13  ILE  64          HD13      ILE  64  -1.183  -4.607 -13.693
  523    H    ASP  65           HN       ASP  65   2.335  -7.044  -8.153
  524    HA   ASP  65           HA       ASP  65   3.846  -4.751  -9.106
  525    HB2  ASP  65           HB2      ASP  65   2.048  -3.868  -7.598
  526    HB3  ASP  65           HB1      ASP  65   2.689  -4.893  -6.319
  527    H    GLY  66           HN       GLY  66   5.932  -4.590  -8.181
  528    HA2  GLY  66           HA2      GLY  66   7.168  -7.132  -7.716
  529    HA3  GLY  66           HA1      GLY  66   7.912  -5.532  -7.763
  530    H    ARG  67           HN       ARG  67   5.751  -4.893  -5.627
  531    HA   ARG  67           HA       ARG  67   7.464  -5.782  -3.470
  532    HB2  ARG  67           HB2      ARG  67   7.941  -3.599  -3.347
  533    HB3  ARG  67           HB1      ARG  67   6.584  -3.181  -4.344
  534    HG2  ARG  67           HG2      ARG  67   6.307  -3.668  -1.402
  535    HG3  ARG  67           HG1      ARG  67   6.785  -2.103  -2.065
  536    HD2  ARG  67           HD2      ARG  67   4.207  -3.599  -2.497
  537    HD3  ARG  67           HD1      ARG  67   4.428  -2.027  -1.737
  538    HE   ARG  67           HE       ARG  67   4.658  -2.620  -4.614
  539   HH11  ARG  67          HH11      ARG  67   4.120  -0.248  -2.083
  540   HH12  ARG  67          HH12      ARG  67   3.977   1.032  -3.229
  541   HH21  ARG  67          HH21      ARG  67   4.226  -0.886  -6.060
  542   HH22  ARG  67          HH22      ARG  67   3.968   0.691  -5.424
  543    H    PHE  68           HN       PHE  68   4.692  -6.684  -4.654
  544    HA   PHE  68           HA       PHE  68   3.512  -7.081  -2.014
  545    HB2  PHE  68           HB2      PHE  68   2.152  -6.458  -4.608
  546    HB3  PHE  68           HB1      PHE  68   1.305  -7.174  -3.246
  547    HD1  PHE  68           HD1      PHE  68   2.358  -5.856  -1.025
  548    HD2  PHE  68           HD2      PHE  68   1.455  -4.290  -4.831
  549    HE1  PHE  68           HE1      PHE  68   1.851  -3.639   0.019
  550    HE2  PHE  68           HE2      PHE  68   0.992  -2.070  -3.856
  551    HZ   PHE  68           HZ       PHE  68   1.181  -1.746  -1.416
  552    H    LEU  69           HN       LEU  69   3.678  -9.155  -1.483
  553    HA   LEU  69           HA       LEU  69   2.973 -11.106  -3.563
  554    HB2  LEU  69           HB2      LEU  69   4.359 -12.767  -2.630
  555    HB3  LEU  69           HB1      LEU  69   5.357 -11.344  -2.759
  556    HG   LEU  69           HG       LEU  69   4.074 -12.210  -0.164
  557   HD11  LEU  69          HD11      LEU  69   6.784 -12.823  -1.270
  558   HD12  LEU  69          HD12      LEU  69   5.472 -13.969  -1.014
  559   HD13  LEU  69          HD13      LEU  69   6.248 -13.181   0.372
  560   HD21  LEU  69          HD21      LEU  69   5.829 -10.836   0.848
  561   HD22  LEU  69          HD22      LEU  69   4.853  -9.863  -0.256
  562   HD23  LEU  69          HD23      LEU  69   6.446 -10.438  -0.753
  563    H    ALA  70           HN       ALA  70   1.397 -12.533  -3.034
  564    HA   ALA  70           HA       ALA  70   0.040 -12.107  -0.456
  565    HB1  ALA  70           HB1      ALA  70  -1.377 -12.166  -2.543
  566    HB2  ALA  70           HB2      ALA  70  -1.779 -13.453  -1.406
  567    HB3  ALA  70           HB3      ALA  70  -0.805 -13.807  -2.832
  568    H    LEU  71           HN       LEU  71  -0.034 -13.354   1.057
  569    HA   LEU  71           HA       LEU  71   2.168 -15.237   1.126
  570    HB2  LEU  71           HB2      LEU  71   0.420 -14.220   3.345
  571    HB3  LEU  71           HB1      LEU  71   1.537 -15.538   3.596
  572    HG   LEU  71           HG       LEU  71   3.396 -14.007   2.915
  573   HD11  LEU  71          HD11      LEU  71   1.290 -11.872   3.097
  574   HD12  LEU  71          HD12      LEU  71   2.154 -12.376   1.645
  575   HD13  LEU  71          HD13      LEU  71   3.029 -11.609   2.969
  576   HD21  LEU  71          HD21      LEU  71   2.933 -14.475   5.238
  577   HD22  LEU  71          HD22      LEU  71   1.752 -13.164   5.287
  578   HD23  LEU  71          HD23      LEU  71   3.460 -12.804   5.034
  579    H    SER  72           HN       SER  72  -0.947 -15.773   2.707
  580    HA   SER  72           HA       SER  72  -0.679 -18.573   2.060
  581    HB2  SER  72           HB2      SER  72  -2.963 -17.180   3.450
  582    HB3  SER  72           HB1      SER  72  -2.464 -18.866   3.615
  583    HG   SER  72           HG       SER  72  -0.897 -18.307   4.927
  584    H    ASP  73           HN       ASP  73  -3.288 -16.105   1.696
  585    HA   ASP  73           HA       ASP  73  -3.552 -16.720  -1.073
  586    HB2  ASP  73           HB2      ASP  73  -5.799 -17.692  -1.096
  587    HB3  ASP  73           HB1      ASP  73  -4.736 -18.713  -0.149
  588    H    GLN  74           HN       GLN  74  -4.920 -15.402   1.792
  589    HA   GLN  74           HA       GLN  74  -6.288 -13.447   0.163
  590    HB2  GLN  74           HB2      GLN  74  -7.585 -12.954   2.193
  591    HB3  GLN  74           HB1      GLN  74  -7.717 -14.605   1.594
  592    HG2  GLN  74           HG2      GLN  74  -6.089 -15.312   3.277
  593    HG3  GLN  74           HG1      GLN  74  -6.065 -13.670   3.917
  594   HE21  GLN  74          HE21      GLN  74  -7.897 -12.902   4.986
  595   HE22  GLN  74          HE22      GLN  74  -9.068 -14.005   5.586
  596    H    THR  75           HN       THR  75  -3.885 -13.599   2.756
  597    HA   THR  75           HA       THR  75  -3.672 -10.885   3.376
  598    HB   THR  75           HB       THR  75  -1.511 -12.002   4.312
  599    HG1  THR  75           HG1      THR  75  -2.604 -14.409   4.551
  600   HG21  THR  75          HG21      THR  75  -2.798 -12.867   6.241
  601   HG22  THR  75          HG22      THR  75  -4.269 -12.819   5.270
  602   HG23  THR  75          HG23      THR  75  -3.444 -11.321   5.692
  603    H    TRP  76           HN       TRP  76  -2.133  -9.533   2.663
  604    HA   TRP  76           HA       TRP  76  -0.249 -10.247   0.522
  605    HB2  TRP  76           HB2      TRP  76  -1.819  -7.766   1.166
  606    HB3  TRP  76           HB1      TRP  76  -0.417  -7.767   0.097
  607    HD1  TRP  76           HD1      TRP  76  -4.080  -8.817   0.220
  608    HE1  TRP  76           HE1      TRP  76  -4.772  -9.619  -2.142
  609    HE3  TRP  76           HE3      TRP  76   0.505  -8.832  -2.008
  610    HZ2  TRP  76           HZ2      TRP  76  -3.517 -10.181  -4.589
  611    HZ3  TRP  76           HZ3      TRP  76   0.675  -9.507  -4.362
  612    HH2  TRP  76           HH2      TRP  76  -1.297 -10.173  -5.621
  613    H    GLY  77           HN       GLY  77   1.835  -9.418   0.883
  614    HA2  GLY  77           HA2      GLY  77   2.246  -8.085   3.483
  615    HA3  GLY  77           HA1      GLY  77   3.293  -9.393   2.945
  616    H    LEU  78           HN       LEU  78   3.729  -6.429   3.551
  617    HA   LEU  78           HA       LEU  78   4.569  -5.431   1.004
  618    HB2  LEU  78           HB2      LEU  78   3.876  -4.249   3.210
  619    HB3  LEU  78           HB1      LEU  78   5.561  -4.401   3.633
  620    HG   LEU  78           HG       LEU  78   5.149  -2.162   2.776
  621   HD11  LEU  78          HD11      LEU  78   6.627  -3.767   0.749
  622   HD12  LEU  78          HD12      LEU  78   7.278  -3.066   2.229
  623   HD13  LEU  78          HD13      LEU  78   6.700  -2.017   0.939
  624   HD21  LEU  78          HD21      LEU  78   4.141  -3.475   0.277
  625   HD22  LEU  78          HD22      LEU  78   4.378  -1.747   0.524
  626   HD23  LEU  78          HD23      LEU  78   3.171  -2.618   1.470
  627    H    ARG  79           HN       ARG  79   6.376  -5.853   0.004
  628    HA   ARG  79           HA       ARG  79   8.355  -7.595   1.064
  629    HB2  ARG  79           HB2      ARG  79   7.880  -6.272  -1.535
  630    HB3  ARG  79           HB1      ARG  79   9.433  -7.041  -1.223
  631    HG2  ARG  79           HG2      ARG  79   8.503  -9.158  -1.073
  632    HG3  ARG  79           HG1      ARG  79   6.903  -8.509  -0.694
  633    HD2  ARG  79           HD2      ARG  79   6.458  -7.937  -2.829
  634    HD3  ARG  79           HD1      ARG  79   8.155  -7.980  -3.364
  635    HE   ARG  79           HE       ARG  79   7.397 -10.562  -2.573
  636   HH11  ARG  79          HH11      ARG  79   6.615  -8.283  -5.166
  637   HH12  ARG  79          HH12      ARG  79   6.195  -9.505  -6.281
  638   HH21  ARG  79          HH21      ARG  79   6.846 -12.233  -4.207
  639   HH22  ARG  79          HH22      ARG  79   6.371 -11.711  -5.758
  640    H    SER  80           HN       SER  80   8.285  -4.651   2.180
  641    HA   SER  80           HA       SER  80  11.020  -3.858   1.651
  642    HB2  SER  80           HB2      SER  80   9.038  -2.812   3.694
  643    HB3  SER  80           HB1      SER  80  10.635  -2.135   3.410
  644    HG   SER  80           HG       SER  80   8.928  -1.075   2.417
  645    H    TRP  81           HN       TRP  81   9.432  -6.002   3.705
  646    HA   TRP  81           HA       TRP  81  11.479  -5.922   5.803
  647    HB2  TRP  81           HB2      TRP  81   9.248  -7.940   5.620
  648    HB3  TRP  81           HB1      TRP  81  10.022  -7.295   7.064
  649    HD1  TRP  81           HD1      TRP  81   9.566  -4.201   6.683
  650    HE1  TRP  81           HE1      TRP  81   7.215  -3.207   6.694
  651    HE3  TRP  81           HE3      TRP  81   6.918  -8.451   5.668
  652    HZ2  TRP  81           HZ2      TRP  81   4.549  -4.123   6.332
  653    HZ3  TRP  81           HZ3      TRP  81   4.471  -8.307   5.529
  654    HH2  TRP  81           HH2      TRP  81   3.319  -6.194   5.857
  655    H    TYR  82           HN       TYR  82  12.050  -6.553   3.140
  656    HA   TYR  82           HA       TYR  82  13.364  -9.092   3.230
  657    HB2  TYR  82           HB2      TYR  82  11.215  -9.752   2.311
  658    HB3  TYR  82           HB1      TYR  82  11.121  -8.300   1.338
  659    HD1  TYR  82           HD2      TYR  82  12.930 -11.535   1.672
  660    HD2  TYR  82           HD1      TYR  82  11.860  -8.305  -0.851
  661    HE1  TYR  82           HE2      TYR  82  13.770 -12.783  -0.278
  662    HE2  TYR  82           HE1      TYR  82  12.676  -9.504  -2.793
  663    HH   TYR  82           HH       TYR  82  14.165 -11.287  -3.347
  664    HA   PRO  83           HA       PRO  83  16.343  -6.293   1.415
  665    HB2  PRO  83           HB2      PRO  83  17.340  -7.994  -0.600
  666    HB3  PRO  83           HB1      PRO  83  17.982  -7.813   1.032
  667    HG2  PRO  83           HG2      PRO  83  16.135  -9.884  -0.057
  668    HG3  PRO  83           HG1      PRO  83  17.403 -10.044   1.171
  669    HD2  PRO  83           HD2      PRO  83  14.828  -9.994   1.849
  670    HD3  PRO  83           HD1      PRO  83  16.046  -9.179   2.854
  671    H    TYR  84           HN       TYR  84  15.950  -4.700   0.037
  672    HA   TYR  84           HA       TYR  84  15.497  -5.134  -2.673
  673    HB2  TYR  84           HB2      TYR  84  13.101  -4.514  -1.053
  674    HB3  TYR  84           HB1      TYR  84  13.315  -3.431  -2.409
  675    HD1  TYR  84           HD1      TYR  84  13.974  -4.900  -4.674
  676    HD2  TYR  84           HD2      TYR  84  11.584  -6.210  -1.406
  677    HE1  TYR  84           HE1      TYR  84  12.806  -6.472  -6.159
  678    HE2  TYR  84           HE2      TYR  84  10.418  -7.799  -2.884
  679    HH   TYR  84           HH       TYR  84   9.941  -7.895  -5.375
  680    H    ASP  85           HN       ASP  85  14.208  -2.445  -0.762
  681    HA   ASP  85           HA       ASP  85  16.550  -0.861  -1.207
  682    HB2  ASP  85           HB2      ASP  85  15.350   0.947  -2.474
  683    HB3  ASP  85           HB1      ASP  85  15.777  -0.509  -3.361
  684    H    GLN  86           HN       GLN  86  13.594  -1.251   0.462
  685    HA   GLN  86           HA       GLN  86  14.736   0.550   2.365
  686    HB2  GLN  86           HB2      GLN  86  12.696   1.738   2.953
  687    HB3  GLN  86           HB1      GLN  86  13.048   2.040   1.270
  688    HG2  GLN  86           HG2      GLN  86  11.219  -0.163   1.900
  689    HG3  GLN  86           HG1      GLN  86  10.569   1.475   2.148
  690   HE21  GLN  86          HE21      GLN  86  11.411  -1.057   0.102
  691   HE22  GLN  86          HE22      GLN  86  11.023  -0.299  -1.406
  692    H    LEU  87           HN       LEU  87  13.626   0.329   4.445
  693    HA   LEU  87           HA       LEU  87  12.126  -2.064   4.952
  694    HB2  LEU  87           HB2      LEU  87  14.480  -2.883   4.526
  695    HB3  LEU  87           HB1      LEU  87  15.012  -1.922   5.881
  696    HG   LEU  87           HG       LEU  87  12.999  -4.134   6.257
  697   HD11  LEU  87          HD11      LEU  87  16.008  -4.357   6.263
  698   HD12  LEU  87          HD12      LEU  87  14.927  -5.049   5.054
  699   HD13  LEU  87          HD13      LEU  87  14.869  -5.625   6.718
  700   HD21  LEU  87          HD21      LEU  87  13.382  -2.585   8.130
  701   HD22  LEU  87          HD22      LEU  87  15.111  -2.923   8.049
  702   HD23  LEU  87          HD23      LEU  87  13.984  -4.202   8.497
  703    H    ASP  88           HN       ASP  88  10.727  -0.724   5.978
  704    HA   ASP  88           HA       ASP  88   9.800   0.577   7.762
  705    HB2  ASP  88           HB2      ASP  88  12.395  -0.227   9.163
  706    HB3  ASP  88           HB1      ASP  88  11.074   0.612   9.930
  707    H    GLU  89           HN       GLU  89  11.834   1.509   5.779
  708    HA   GLU  89           HA       GLU  89  12.386   4.033   7.202
  709    HB2  GLU  89           HB2      GLU  89  14.334   2.523   6.557
  710    HB3  GLU  89           HB1      GLU  89  14.015   3.002   4.897
  711    HG2  GLU  89           HG2      GLU  89  15.806   4.317   5.967
  712    HG3  GLU  89           HG1      GLU  89  14.442   5.305   5.434
  713    H    GLU  90           HN       GLU  90  12.451   5.971   6.008
  714    HA   GLU  90           HA       GLU  90  10.351   6.098   3.960
  715    HB2  GLU  90           HB2      GLU  90  10.192   8.463   4.653
  716    HB3  GLU  90           HB1      GLU  90   9.893   7.320   5.957
  717    HG2  GLU  90           HG2      GLU  90  12.247   7.641   6.692
  718    HG3  GLU  90           HG1      GLU  90  12.399   8.905   5.472
  719    H    THR  91           HN       THR  91  13.450   5.895   3.918
  720    HA   THR  91           HA       THR  91  14.749   7.903   2.541
  721    HB   THR  91           HB       THR  91  15.958   5.924   1.370
  722    HG1  THR  91           HG1      THR  91  15.558   3.965   2.281
  723   HG21  THR  91          HG21      THR  91  15.924   6.301   4.379
  724   HG22  THR  91          HG22      THR  91  16.885   7.224   3.228
  725   HG23  THR  91          HG23      THR  91  17.207   5.508   3.466
  726    H    GLN  92           HN       GLN  92  12.379   5.762   1.349
  727    HA   GLN  92           HA       GLN  92  13.019   6.206  -1.467
  728    HB2  GLN  92           HB2      GLN  92  11.101   4.281  -0.198
  729    HB3  GLN  92           HB1      GLN  92  11.577   4.326  -1.894
  730    HG2  GLN  92           HG2      GLN  92  13.498   3.894   0.373
  731    HG3  GLN  92           HG1      GLN  92  12.727   2.604  -0.566
  732   HE21  GLN  92          HE21      GLN  92  13.427   2.139  -2.409
  733   HE22  GLN  92          HE22      GLN  92  14.820   2.804  -3.218
  734    H    LEU  93           HN       LEU  93  10.103   6.022   0.573
  735    HA   LEU  93           HA       LEU  93   8.235   7.296   0.751
  736    HB2  LEU  93           HB2      LEU  93   9.584   9.175  -1.221
  737    HB3  LEU  93           HB1      LEU  93   8.077   9.521  -0.395
  738    HG   LEU  93           HG       LEU  93  10.636   9.032   1.108
  739   HD11  LEU  93          HD11      LEU  93   9.577  11.656   0.078
  740   HD12  LEU  93          HD12      LEU  93  11.060  10.820  -0.427
  741   HD13  LEU  93          HD13      LEU  93  10.915  11.438   1.216
  742   HD21  LEU  93          HD21      LEU  93   9.499  10.323   2.846
  743   HD22  LEU  93          HD22      LEU  93   8.558   8.905   2.384
  744   HD23  LEU  93          HD23      LEU  93   8.094  10.500   1.797
  745    H    GLU  94           HN       GLU  94   7.580   5.403  -0.147
  746    HA   GLU  94           HA       GLU  94   6.713   3.941  -1.513
  747    HB2  GLU  94           HB2      GLU  94   5.383   6.269  -2.216
  748    HB3  GLU  94           HB1      GLU  94   5.934   5.633  -3.763
  749    HG2  GLU  94           HG2      GLU  94   4.255   4.210  -1.717
  750    HG3  GLU  94           HG1      GLU  94   3.750   4.788  -3.296
  751    H    HIS  95           HN       HIS  95   7.534   2.598  -2.994
  752    HA   HIS  95           HA       HIS  95   9.962   3.742  -4.001
  753    HB2  HIS  95           HB2      HIS  95  11.201   1.856  -3.535
  754    HB3  HIS  95           HB1      HIS  95   9.972   1.805  -2.334
  755    HD1  HIS  95           HD1      HIS  95  11.751  -0.537  -3.818
  756    HD2  HIS  95           HD2      HIS  95   7.656   0.070  -3.874
  757    HE1  HIS  95           HE1      HIS  95  10.780  -2.712  -4.472
  758    HE2  HIS  95           HE2      HIS  95   8.445  -2.103  -5.009
  759    H    HIS  96           HN       HIS  96   9.245   4.607  -5.862
  760    HA   HIS  96           HA       HIS  96   8.228   2.779  -7.890
  761    HB2  HIS  96           HB2      HIS  96   8.641   5.779  -8.045
  762    HB3  HIS  96           HB1      HIS  96   8.029   4.790  -9.359
  763    HD1  HIS  96           HD1      HIS  96   5.546   4.379  -9.409
  764    HD2  HIS  96           HD2      HIS  96   6.842   5.842  -5.743
  765    HE1  HIS  96           HE1      HIS  96   3.477   4.793  -8.072
  766    HE2  HIS  96           HE2      HIS  96   4.294   6.054  -6.088
  767    H    HIS  97           HN       HIS  97  11.113   3.536  -6.719
  768    HA   HIS  97           HA       HIS  97  13.234   3.508  -7.355
  769    HB2  HIS  97           HB2      HIS  97  12.166   1.833  -9.641
  770    HB3  HIS  97           HB1      HIS  97  13.876   2.194  -9.461
  771    HD1  HIS  97           HD1      HIS  97  12.293  -0.682  -9.222
  772    HD2  HIS  97           HD2      HIS  97  14.007   1.583  -6.185
  773    HE1  HIS  97           HE1      HIS  97  12.844  -2.296  -7.419
  774    HE2  HIS  97           HE2      HIS  97  13.616  -0.860  -5.494
  775    H    HIS  98           HN       HIS  98  13.038   5.699  -7.484
  776    HA   HIS  98           HA       HIS  98  12.626   7.080  -9.898
  777    HB2  HIS  98           HB2      HIS  98  13.562   9.059  -8.790
  778    HB3  HIS  98           HB1      HIS  98  12.519   8.201  -7.675
  779    HD1  HIS  98           HD1      HIS  98  15.584   9.911  -7.739
  780    HD2  HIS  98           HD2      HIS  98  14.342   6.405  -5.911
  781    HE1  HIS  98           HE1      HIS  98  17.169   9.540  -5.848
  782    HE2  HIS  98           HE2      HIS  98  16.221   7.591  -4.611
  783    H    HIS  99           HN       HIS  99  13.780   6.964 -11.667
  784    HA   HIS  99           HA       HIS  99  16.546   6.020 -11.464
  785    HB2  HIS  99           HB2      HIS  99  14.799   6.195 -13.931
  786    HB3  HIS  99           HB1      HIS  99  16.387   5.459 -13.827
  787    HD1  HIS  99           HD1      HIS  99  16.410   3.299 -12.056
  788    HD2  HIS  99           HD2      HIS  99  12.777   4.457 -13.691
  789    HE1  HIS  99           HE1      HIS  99  14.907   1.329 -11.809
  790    HE2  HIS  99           HE2      HIS  99  12.782   1.993 -12.969
  791    H    HIS 100           HN       HIS 100  18.006   6.936 -13.143
  792    HA   HIS 100           HA       HIS 100  17.304   9.665 -13.764
  793    HB2  HIS 100           HB2      HIS 100  19.743  10.330 -13.451
  794    HB3  HIS 100           HB1      HIS 100  18.877   9.978 -11.972
  795    HD1  HIS 100           HD1      HIS 100  19.719   8.023 -10.560
  796    HD2  HIS 100           HD2      HIS 100  21.846   8.526 -14.087
  797    HE1  HIS 100           HE1      HIS 100  21.743   6.570 -10.329
  798    HE2  HIS 100           HE2      HIS 100  22.919   6.744 -12.531
  Start of MODEL    6
    1    H1   GLY   2           HT1      GLY   2  -4.247  11.174   7.927
    2    H2   GLY   2           HT2      GLY   2  -3.374  10.208   9.007
    3    H3   GLY   2           HT3      GLY   2  -4.508   9.501   7.974
    4    HA2  GLY   2           HA1      GLY   2  -3.200  10.075   6.080
    5    HA3  GLY   2           HA2      GLY   2  -2.010  10.803   7.152
    6    H    ILE   3           HN       ILE   3  -0.321   9.446   7.020
    7    HA   ILE   3           HA       ILE   3  -0.816   6.750   7.969
    8    HB   ILE   3           HB       ILE   3   1.481   7.178   5.950
    9   HG12  ILE   3          HG12      ILE   3  -0.793   7.560   4.789
   10   HG13  ILE   3          HG11      ILE   3   0.284   6.314   4.163
   11   HG21  ILE   3          HG21      ILE   3   1.702   5.357   7.446
   12   HG22  ILE   3          HG22      ILE   3   1.476   4.805   5.784
   13   HG23  ILE   3          HG23      ILE   3   0.141   4.719   6.931
   14   HD11  ILE   3          HD11      ILE   3  -2.005   5.656   4.151
   15   HD12  ILE   3          HD12      ILE   3  -2.070   5.799   5.928
   16   HD13  ILE   3          HD13      ILE   3  -0.979   4.630   5.140
   17    H    LYS   4           HN       LYS   4   2.140   8.419   6.922
   18    HA   LYS   4           HA       LYS   4   3.316   8.140   9.557
   19    HB2  LYS   4           HB2      LYS   4   4.409   8.404   6.774
   20    HB3  LYS   4           HB1      LYS   4   5.417   8.413   8.216
   21    HG2  LYS   4           HG2      LYS   4   5.055   6.190   8.658
   22    HG3  LYS   4           HG1      LYS   4   3.494   6.178   7.850
   23    HD2  LYS   4           HD2      LYS   4   5.242   4.883   6.663
   24    HD3  LYS   4           HD1      LYS   4   4.556   6.180   5.692
   25    HE2  LYS   4           HE2      LYS   4   6.480   7.550   6.072
   26    HE3  LYS   4           HE1      LYS   4   7.119   6.388   7.237
   27    HZ1  LYS   4           HZ1      LYS   4   8.155   6.213   5.049
   28    HZ2  LYS   4           HZ2      LYS   4   6.641   5.795   4.369
   29    HZ3  LYS   4           HZ3      LYS   4   7.373   4.812   5.583
   30    H    GLN   5           HN       GLN   5   3.171  10.333   6.759
   31    HA   GLN   5           HA       GLN   5   3.049  12.648   8.490
   32    HB2  GLN   5           HB2      GLN   5   4.942  13.729   7.252
   33    HB3  GLN   5           HB1      GLN   5   5.415  12.421   8.324
   34    HG2  GLN   5           HG2      GLN   5   5.727  10.937   6.486
   35    HG3  GLN   5           HG1      GLN   5   5.031  12.104   5.363
   36   HE21  GLN   5          HE21      GLN   5   7.796  11.350   7.349
   37   HE22  GLN   5          HE22      GLN   5   8.878  12.443   6.602
   38    H    TYR   6           HN       TYR   6   1.459  11.234   6.431
   39    HA   TYR   6           HA       TYR   6   1.432  13.162   4.208
   40    HB2  TYR   6           HB2      TYR   6   0.176  10.408   4.337
   41    HB3  TYR   6           HB1      TYR   6   0.262  11.447   2.921
   42    HD1  TYR   6           HD1      TYR   6   2.381  11.700   1.699
   43    HD2  TYR   6           HD2      TYR   6   2.090   9.172   5.098
   44    HE1  TYR   6           HE1      TYR   6   4.530  10.654   1.102
   45    HE2  TYR   6           HE2      TYR   6   4.237   8.122   4.518
   46    HH   TYR   6           HH       TYR   6   5.658   7.783   2.597
   47    H    SER   7           HN       SER   7  -0.101  14.641   4.376
   48    HA   SER   7           HA       SER   7  -2.273  14.557   6.241
   49    HB2  SER   7           HB2      SER   7  -1.906  16.384   3.872
   50    HB3  SER   7           HB1      SER   7  -2.770  16.696   5.380
   51    HG   SER   7           HG       SER   7  -0.930  16.736   6.478
   52    H    GLN   8           HN       GLN   8  -4.530  14.905   5.688
   53    HA   GLN   8           HA       GLN   8  -5.640  12.722   4.492
   54    HB2  GLN   8           HB2      GLN   8  -6.707  14.147   6.171
   55    HB3  GLN   8           HB1      GLN   8  -6.798  15.458   5.009
   56    HG2  GLN   8           HG2      GLN   8  -8.957  14.420   5.182
   57    HG3  GLN   8           HG1      GLN   8  -8.187  14.092   3.615
   58   HE21  GLN   8          HE21      GLN   8  -7.658  12.032   3.049
   59   HE22  GLN   8          HE22      GLN   8  -8.099  10.656   4.013
   60    H    GLU   9           HN       GLU   9  -5.188  15.999   3.182
   61    HA   GLU   9           HA       GLU   9  -6.514  15.543   0.752
   62    HB2  GLU   9           HB2      GLU   9  -6.058  17.782   1.622
   63    HB3  GLU   9           HB1      GLU   9  -4.338  17.545   1.329
   64    HG2  GLU   9           HG2      GLU   9  -4.693  17.392  -1.027
   65    HG3  GLU   9           HG1      GLU   9  -6.436  17.403  -0.814
   66    H    GLU  10           HN       GLU  10  -3.238  15.026   1.809
   67    HA   GLU  10           HA       GLU  10  -2.057  14.808  -0.738
   68    HB2  GLU  10           HB2      GLU  10  -1.162  13.628   1.890
   69    HB3  GLU  10           HB1      GLU  10  -0.183  13.717   0.434
   70    HG2  GLU  10           HG2      GLU  10  -1.270  16.043   1.989
   71    HG3  GLU  10           HG1      GLU  10   0.404  15.487   1.988
   72    H    LEU  11           HN       LEU  11  -3.368  12.420   1.499
   73    HA   LEU  11           HA       LEU  11  -2.556  10.239  -0.024
   74    HB2  LEU  11           HB2      LEU  11  -4.770  10.412   1.993
   75    HB3  LEU  11           HB1      LEU  11  -4.307   8.908   1.241
   76    HG   LEU  11           HG       LEU  11  -2.616  10.614   3.076
   77   HD11  LEU  11          HD11      LEU  11  -3.880   7.902   3.411
   78   HD12  LEU  11          HD12      LEU  11  -4.376   9.395   4.210
   79   HD13  LEU  11          HD13      LEU  11  -2.803   8.677   4.570
   80   HD21  LEU  11          HD21      LEU  11  -1.213   9.532   1.366
   81   HD22  LEU  11          HD22      LEU  11  -1.948   7.975   1.755
   82   HD23  LEU  11          HD23      LEU  11  -0.966   8.809   2.954
   83    H    LYS  12           HN       LYS  12  -5.627  12.037  -0.146
   84    HA   LYS  12           HA       LYS  12  -6.876  10.170  -1.896
   85    HB2  LYS  12           HB2      LYS  12  -8.533  12.083  -2.202
   86    HB3  LYS  12           HB1      LYS  12  -8.365  11.442  -0.574
   87    HG2  LYS  12           HG2      LYS  12  -6.925  13.290   0.025
   88    HG3  LYS  12           HG1      LYS  12  -7.037  13.940  -1.607
   89    HD2  LYS  12           HD2      LYS  12  -9.438  13.526   0.171
   90    HD3  LYS  12           HD1      LYS  12  -8.525  15.030   0.137
   91    HE2  LYS  12           HE2      LYS  12  -9.852  13.756  -2.253
   92    HE3  LYS  12           HE1      LYS  12 -10.544  15.071  -1.308
   93    HZ1  LYS  12           HZ1      LYS  12  -8.602  16.448  -1.949
   94    HZ2  LYS  12           HZ2      LYS  12  -9.500  15.914  -3.254
   95    HZ3  LYS  12           HZ3      LYS  12  -8.041  15.185  -2.938
   96    H    GLU  13           HN       GLU  13  -4.336  12.177  -2.425
   97    HA   GLU  13           HA       GLU  13  -5.109  12.625  -5.220
   98    HB2  GLU  13           HB2      GLU  13  -2.870  13.926  -3.668
   99    HB3  GLU  13           HB1      GLU  13  -3.353  14.300  -5.314
  100    HG2  GLU  13           HG2      GLU  13  -4.929  14.780  -2.808
  101    HG3  GLU  13           HG1      GLU  13  -4.156  15.979  -3.836
  102    H    MET  14           HN       MET  14  -3.447  10.662  -3.199
  103    HA   MET  14           HA       MET  14  -1.343   9.995  -5.090
  104    HB2  MET  14           HB2      MET  14  -1.867   9.113  -2.239
  105    HB3  MET  14           HB1      MET  14  -0.562   8.499  -3.240
  106    HG2  MET  14           HG2      MET  14   0.483  10.649  -3.304
  107    HG3  MET  14           HG1      MET  14  -0.892  11.397  -2.498
  108    HE1  MET  14           HE1      MET  14   2.033   8.462  -0.429
  109    HE2  MET  14           HE2      MET  14   2.170   8.963  -2.116
  110    HE3  MET  14           HE3      MET  14   0.832   7.933  -1.603
  111    H    ALA  15           HN       ALA  15  -1.109   7.791  -5.640
  112    HA   ALA  15           HA       ALA  15  -3.571   6.466  -6.395
  113    HB1  ALA  15           HB1      ALA  15  -1.544   6.214  -7.739
  114    HB2  ALA  15           HB2      ALA  15  -2.064   4.652  -7.106
  115    HB3  ALA  15           HB3      ALA  15  -0.710   5.498  -6.367
  116    H    LEU  16           HN       LEU  16  -4.589   4.769  -5.369
  117    HA   LEU  16           HA       LEU  16  -4.156   4.774  -2.668
  118    HB2  LEU  16           HB2      LEU  16  -5.910   3.154  -2.316
  119    HB3  LEU  16           HB1      LEU  16  -6.399   4.215  -3.605
  120    HG   LEU  16           HG       LEU  16  -5.431   1.399  -3.923
  121   HD11  LEU  16          HD11      LEU  16  -7.761   0.953  -4.543
  122   HD12  LEU  16          HD12      LEU  16  -8.172   2.619  -4.138
  123   HD13  LEU  16          HD13      LEU  16  -7.601   1.518  -2.884
  124   HD21  LEU  16          HD21      LEU  16  -6.569   3.302  -5.957
  125   HD22  LEU  16          HD22      LEU  16  -6.124   1.613  -6.240
  126   HD23  LEU  16          HD23      LEU  16  -4.881   2.803  -5.840
  127    H    VAL  17           HN       VAL  17  -2.613   2.785  -5.019
  128    HA   VAL  17           HA       VAL  17  -1.698   0.815  -3.264
  129    HB   VAL  17           HB       VAL  17  -1.565   0.615  -5.761
  130   HG11  VAL  17          HG11      VAL  17   0.262   1.678  -6.994
  131   HG12  VAL  17          HG12      VAL  17   0.696   2.589  -5.548
  132   HG13  VAL  17          HG13      VAL  17  -0.865   2.859  -6.323
  133   HG21  VAL  17          HG21      VAL  17   1.090   0.308  -4.362
  134   HG22  VAL  17          HG22      VAL  17   0.638  -0.466  -5.883
  135   HG23  VAL  17          HG23      VAL  17  -0.218  -0.873  -4.396
  136    H    GLU  18           HN       GLU  18  -0.630   4.183  -3.812
  137    HA   GLU  18           HA       GLU  18   1.947   3.866  -2.667
  138    HB2  GLU  18           HB2      GLU  18   0.197   6.287  -3.143
  139    HB3  GLU  18           HB1      GLU  18   1.900   6.341  -2.703
  140    HG2  GLU  18           HG2      GLU  18   2.471   5.240  -4.780
  141    HG3  GLU  18           HG1      GLU  18   0.775   5.152  -5.224
  142    H    ILE  19           HN       ILE  19  -1.301   4.776  -1.705
  143    HA   ILE  19           HA       ILE  19  -0.812   5.497   0.989
  144    HB   ILE  19           HB       ILE  19  -3.253   4.077  -0.162
  145   HG12  ILE  19          HG12      ILE  19  -2.707   7.058   0.037
  146   HG13  ILE  19          HG11      ILE  19  -2.737   6.113  -1.440
  147   HG21  ILE  19          HG21      ILE  19  -4.486   5.112   1.684
  148   HG22  ILE  19          HG22      ILE  19  -2.996   5.840   2.273
  149   HG23  ILE  19          HG23      ILE  19  -3.183   4.086   2.288
  150   HD11  ILE  19          HD11      ILE  19  -5.121   5.641  -1.077
  151   HD12  ILE  19          HD12      ILE  19  -4.782   7.368  -1.183
  152   HD13  ILE  19          HD13      ILE  19  -5.068   6.620   0.387
  153    H    ALA  20           HN       ALA  20  -1.680   2.436  -0.587
  154    HA   ALA  20           HA       ALA  20  -1.690   0.812   1.666
  155    HB1  ALA  20           HB1      ALA  20  -1.010   0.028  -1.163
  156    HB2  ALA  20           HB2      ALA  20  -2.637   0.140  -0.491
  157    HB3  ALA  20           HB3      ALA  20  -1.507  -1.066   0.125
  158    H    HIS  21           HN       HIS  21   0.996   1.667  -0.481
  159    HA   HIS  21           HA       HIS  21   2.959  -0.034   0.527
  160    HB2  HIS  21           HB2      HIS  21   3.195   1.400  -1.518
  161    HB3  HIS  21           HB1      HIS  21   3.346   2.799  -0.470
  162    HD1  HIS  21           HD1      HIS  21   5.606   3.071   0.878
  163    HD2  HIS  21           HD2      HIS  21   5.493  -0.200  -1.715
  164    HE1  HIS  21           HE1      HIS  21   7.933   2.256   0.729
  165    HE2  HIS  21           HE2      HIS  21   7.918   0.366  -0.880
  166    H    GLU  22           HN       GLU  22   2.130   3.220   1.476
  167    HA   GLU  22           HA       GLU  22   4.051   3.291   3.567
  168    HB2  GLU  22           HB2      GLU  22   1.659   5.036   3.094
  169    HB3  GLU  22           HB1      GLU  22   2.938   5.358   4.260
  170    HG2  GLU  22           HG2      GLU  22   3.181   5.233   1.279
  171    HG3  GLU  22           HG1      GLU  22   3.258   6.638   2.363
  172    H    LEU  23           HN       LEU  23   0.779   2.348   3.313
  173    HA   LEU  23           HA       LEU  23   0.214   2.394   6.100
  174    HB2  LEU  23           HB2      LEU  23  -1.506   2.447   4.275
  175    HB3  LEU  23           HB1      LEU  23  -1.138   0.769   3.949
  176    HG   LEU  23           HG       LEU  23  -1.991   0.125   6.144
  177   HD11  LEU  23          HD11      LEU  23  -2.515   3.079   6.485
  178   HD12  LEU  23          HD12      LEU  23  -1.419   2.079   7.446
  179   HD13  LEU  23          HD13      LEU  23  -3.160   1.810   7.524
  180   HD21  LEU  23          HD21      LEU  23  -3.873   1.926   4.629
  181   HD22  LEU  23          HD22      LEU  23  -4.334   0.644   5.750
  182   HD23  LEU  23          HD23      LEU  23  -3.516   0.247   4.239
  183    H    PHE  24           HN       PHE  24   1.368   0.067   3.869
  184    HA   PHE  24           HA       PHE  24   1.548  -2.021   5.841
  185    HB2  PHE  24           HB2      PHE  24   2.590  -1.738   3.084
  186    HB3  PHE  24           HB1      PHE  24   3.281  -3.000   4.075
  187    HD1  PHE  24           HD1      PHE  24   1.630  -4.633   5.143
  188    HD2  PHE  24           HD2      PHE  24   0.662  -2.081   1.909
  189    HE1  PHE  24           HE1      PHE  24  -0.207  -6.121   4.527
  190    HE2  PHE  24           HE2      PHE  24  -1.183  -3.568   1.272
  191    HZ   PHE  24           HZ       PHE  24  -1.624  -5.595   2.594
  192    H    GLU  25           HN       GLU  25   3.698   0.495   4.732
  193    HA   GLU  25           HA       GLU  25   5.993  -0.373   6.152
  194    HB2  GLU  25           HB2      GLU  25   5.672   1.345   4.162
  195    HB3  GLU  25           HB1      GLU  25   5.424   2.500   5.451
  196    HG2  GLU  25           HG2      GLU  25   7.924   0.831   5.190
  197    HG3  GLU  25           HG1      GLU  25   7.734   2.412   4.447
  198    H    GLU  26           HN       GLU  26   3.193   1.513   6.984
  199    HA   GLU  26           HA       GLU  26   4.127   2.308   9.582
  200    HB2  GLU  26           HB2      GLU  26   2.373   3.514   8.280
  201    HB3  GLU  26           HB1      GLU  26   1.322   2.129   8.433
  202    HG2  GLU  26           HG2      GLU  26   2.273   3.801  10.770
  203    HG3  GLU  26           HG1      GLU  26   0.770   4.080   9.910
  204    H    HIS  27           HN       HIS  27   2.180  -0.220   8.240
  205    HA   HIS  27           HA       HIS  27   1.376  -1.372  10.686
  206    HB2  HIS  27           HB2      HIS  27   1.345  -2.439   7.900
  207    HB3  HIS  27           HB1      HIS  27   0.824  -3.411   9.254
  208    HD1  HIS  27           HD1      HIS  27  -0.488  -0.270  10.257
  209    HD2  HIS  27           HD2      HIS  27  -1.376  -2.835   7.114
  210    HE1  HIS  27           HE1      HIS  27  -2.848   0.171   9.687
  211    HE2  HIS  27           HE2      HIS  27  -3.459  -1.575   8.025
  212    H    LYS  28           HN       LYS  28   4.081  -2.282   8.523
  213    HA   LYS  28           HA       LYS  28   5.843  -4.203   8.938
  214    HB2  LYS  28           HB2      LYS  28   5.213  -3.269  11.750
  215    HB3  LYS  28           HB1      LYS  28   6.441  -4.419  11.273
  216    HG2  LYS  28           HG2      LYS  28   7.602  -2.457  11.770
  217    HG3  LYS  28           HG1      LYS  28   7.523  -2.488  10.013
  218    HD2  LYS  28           HD2      LYS  28   5.654  -0.926  10.073
  219    HD3  LYS  28           HD1      LYS  28   5.726  -0.903  11.836
  220    HE2  LYS  28           HE2      LYS  28   6.866   1.034  10.986
  221    HE3  LYS  28           HE1      LYS  28   8.052  -0.069  11.684
  222    HZ1  LYS  28           HZ1      LYS  28   8.793   0.835   9.548
  223    HZ2  LYS  28           HZ2      LYS  28   7.453   0.238   8.787
  224    HZ3  LYS  28           HZ3      LYS  28   8.603  -0.825   9.407
  225    H    LYS  29           HN       LYS  29   2.911  -4.669   8.811
  226    HA   LYS  29           HA       LYS  29   3.480  -7.450   9.348
  227    HB2  LYS  29           HB2      LYS  29   1.234  -7.686  10.514
  228    HB3  LYS  29           HB1      LYS  29   2.466  -6.824  11.415
  229    HG2  LYS  29           HG2      LYS  29   0.432  -5.660  11.743
  230    HG3  LYS  29           HG1      LYS  29   1.405  -4.681  10.656
  231    HD2  LYS  29           HD2      LYS  29  -0.752  -4.618   9.706
  232    HD3  LYS  29           HD1      LYS  29   0.114  -5.839   8.780
  233    HE2  LYS  29           HE2      LYS  29  -2.122  -6.692   9.363
  234    HE3  LYS  29           HE1      LYS  29  -0.875  -7.603  10.200
  235    HZ1  LYS  29           HZ1      LYS  29  -2.731  -7.067  11.652
  236    HZ2  LYS  29           HZ2      LYS  29  -2.546  -5.447  11.368
  237    HZ3  LYS  29           HZ3      LYS  29  -1.342  -6.290  12.214
  238    HA   PRO  30           HA       PRO  30   1.043  -8.057   5.595
  239    HB2  PRO  30           HB2      PRO  30   0.047 -10.597   6.583
  240    HB3  PRO  30           HB1      PRO  30   1.242 -10.282   5.325
  241    HG2  PRO  30           HG2      PRO  30   1.912 -11.399   7.680
  242    HG3  PRO  30           HG1      PRO  30   3.006 -10.313   6.805
  243    HD2  PRO  30           HD2      PRO  30   1.187  -9.710   9.107
  244    HD3  PRO  30           HD1      PRO  30   2.898  -9.278   8.877
  245    H    VAL  31           HN       VAL  31  -1.101  -7.681   4.875
  246    HA   VAL  31           HA       VAL  31  -3.210  -8.048   6.851
  247    HB   VAL  31           HB       VAL  31  -3.193  -5.764   4.881
  248   HG11  VAL  31          HG11      VAL  31  -5.337  -6.297   5.721
  249   HG12  VAL  31          HG12      VAL  31  -4.819  -4.737   6.377
  250   HG13  VAL  31          HG13      VAL  31  -4.754  -6.193   7.383
  251   HG21  VAL  31          HG21      VAL  31  -2.231  -5.598   7.719
  252   HG22  VAL  31          HG22      VAL  31  -2.630  -4.244   6.660
  253   HG23  VAL  31          HG23      VAL  31  -1.294  -5.318   6.236
  254    HA   PRO  32           HA       PRO  32  -5.348 -10.190   3.327
  255    HB2  PRO  32           HB2      PRO  32  -7.652  -9.033   4.779
  256    HB3  PRO  32           HB1      PRO  32  -7.413 -10.686   4.223
  257    HG2  PRO  32           HG2      PRO  32  -7.182 -10.183   6.802
  258    HG3  PRO  32           HG1      PRO  32  -5.945 -11.176   6.016
  259    HD2  PRO  32           HD2      PRO  32  -5.808  -8.304   6.790
  260    HD3  PRO  32           HD1      PRO  32  -4.593  -9.592   6.967
  261    H    PHE  33           HN       PHE  33  -6.416  -9.520   1.448
  262    HA   PHE  33           HA       PHE  33  -5.977  -6.999   0.545
  263    HB2  PHE  33           HB2      PHE  33  -6.279  -8.998  -0.872
  264    HB3  PHE  33           HB1      PHE  33  -7.984  -9.029  -0.462
  265    HD1  PHE  33           HD2      PHE  33  -5.381  -7.332  -2.384
  266    HD2  PHE  33           HD1      PHE  33  -9.539  -7.471  -1.482
  267    HE1  PHE  33           HE2      PHE  33  -5.851  -5.899  -4.322
  268    HE2  PHE  33           HE1      PHE  33 -10.016  -6.041  -3.422
  269    HZ   PHE  33           HZ       PHE  33  -8.171  -5.248  -4.844
  270    H    GLN  34           HN       GLN  34  -9.163  -8.400   1.373
  271    HA   GLN  34           HA       GLN  34 -10.437  -5.966   1.063
  272    HB2  GLN  34           HB2      GLN  34 -12.421  -7.041   2.191
  273    HB3  GLN  34           HB1      GLN  34 -11.759  -7.908   0.834
  274    HG2  GLN  34           HG2      GLN  34 -12.347  -9.530   2.522
  275    HG3  GLN  34           HG1      GLN  34 -10.601  -9.439   2.418
  276   HE21  GLN  34          HE21      GLN  34 -12.563  -7.034   4.113
  277   HE22  GLN  34          HE22      GLN  34 -11.899  -7.392   5.650
  278    H    GLU  35           HN       GLU  35  -8.708  -7.066   3.776
  279    HA   GLU  35           HA       GLU  35  -9.951  -5.357   5.739
  280    HB2  GLU  35           HB2      GLU  35  -7.366  -6.903   5.681
  281    HB3  GLU  35           HB1      GLU  35  -7.883  -5.959   7.072
  282    HG2  GLU  35           HG2      GLU  35  -9.534  -8.119   5.861
  283    HG3  GLU  35           HG1      GLU  35  -8.376  -8.489   7.121
  284    H    LEU  36           HN       LEU  36  -6.957  -5.412   3.898
  285    HA   LEU  36           HA       LEU  36  -5.926  -2.956   4.876
  286    HB2  LEU  36           HB2      LEU  36  -4.621  -4.803   3.839
  287    HB3  LEU  36           HB1      LEU  36  -5.336  -4.476   2.303
  288    HG   LEU  36           HG       LEU  36  -3.030  -3.723   2.502
  289   HD11  LEU  36          HD11      LEU  36  -4.374  -2.586   0.887
  290   HD12  LEU  36          HD12      LEU  36  -3.235  -1.459   1.625
  291   HD13  LEU  36          HD13      LEU  36  -4.932  -1.442   2.108
  292   HD21  LEU  36          HD21      LEU  36  -4.059  -1.837   4.601
  293   HD22  LEU  36          HD22      LEU  36  -2.451  -1.777   3.876
  294   HD23  LEU  36          HD23      LEU  36  -2.936  -3.179   4.829
  295    H    LEU  37           HN       LEU  37  -7.985  -3.940   2.215
  296    HA   LEU  37           HA       LEU  37  -8.261  -1.538   0.764
  297    HB2  LEU  37           HB2      LEU  37  -8.961  -3.798   0.047
  298    HB3  LEU  37           HB1      LEU  37 -10.180  -3.785   1.294
  299    HG   LEU  37           HG       LEU  37 -11.248  -1.858   0.121
  300   HD11  LEU  37          HD11      LEU  37  -9.309  -1.063  -1.120
  301   HD12  LEU  37          HD12      LEU  37 -10.626  -1.481  -2.215
  302   HD13  LEU  37          HD13      LEU  37  -9.257  -2.575  -2.026
  303   HD21  LEU  37          HD21      LEU  37 -12.288  -3.277  -1.550
  304   HD22  LEU  37          HD22      LEU  37 -11.987  -4.199  -0.072
  305   HD23  LEU  37          HD23      LEU  37 -10.932  -4.402  -1.464
  306    H    ASN  38           HN       ASN  38  -9.872  -2.739   3.606
  307    HA   ASN  38           HA       ASN  38 -11.763  -0.579   3.612
  308    HB2  ASN  38           HB2      ASN  38 -12.442  -2.710   4.562
  309    HB3  ASN  38           HB1      ASN  38 -11.126  -2.644   5.723
  310   HD21  ASN  38          HD21      ASN  38 -11.393  -1.460   7.598
  311   HD22  ASN  38          HD22      ASN  38 -12.874  -0.690   8.008
  312    H    GLU  39           HN       GLU  39  -8.624  -1.125   4.944
  313    HA   GLU  39           HA       GLU  39  -8.771   1.116   6.696
  314    HB2  GLU  39           HB2      GLU  39  -6.347  -0.282   5.570
  315    HB3  GLU  39           HB1      GLU  39  -6.287   1.007   6.763
  316    HG2  GLU  39           HG2      GLU  39  -7.672  -0.432   8.257
  317    HG3  GLU  39           HG1      GLU  39  -7.459  -1.732   7.082
  318    H    ILE  40           HN       ILE  40  -7.635   0.616   3.387
  319    HA   ILE  40           HA       ILE  40  -6.723   3.196   2.798
  320    HB   ILE  40           HB       ILE  40  -8.290   1.327   0.978
  321   HG12  ILE  40          HG12      ILE  40  -5.303   1.791   1.226
  322   HG13  ILE  40          HG11      ILE  40  -6.174   0.358   1.758
  323   HG21  ILE  40          HG21      ILE  40  -6.649   3.747   0.215
  324   HG22  ILE  40          HG22      ILE  40  -8.406   3.612   0.141
  325   HG23  ILE  40          HG23      ILE  40  -7.404   2.609  -0.908
  326   HD11  ILE  40          HD11      ILE  40  -6.760  -0.147  -0.573
  327   HD12  ILE  40          HD12      ILE  40  -5.015  -0.041  -0.360
  328   HD13  ILE  40          HD13      ILE  40  -5.891   1.287  -1.112
  329    H    ALA  41           HN       ALA  41  -9.924   1.794   2.705
  330    HA   ALA  41           HA       ALA  41 -11.458   3.876   1.739
  331    HB1  ALA  41           HB1      ALA  41 -13.346   2.801   2.783
  332    HB2  ALA  41           HB2      ALA  41 -12.269   1.877   3.832
  333    HB3  ALA  41           HB3      ALA  41 -12.268   1.588   2.091
  334    H    SER  42           HN       SER  42 -10.729   3.075   4.941
  335    HA   SER  42           HA       SER  42 -11.999   5.330   6.224
  336    HB2  SER  42           HB2      SER  42  -9.884   3.484   7.366
  337    HB3  SER  42           HB1      SER  42 -11.061   4.431   8.275
  338    HG   SER  42           HG       SER  42 -11.481   2.123   6.680
  339    H    LEU  43           HN       LEU  43  -8.666   4.827   5.168
  340    HA   LEU  43           HA       LEU  43  -7.718   7.161   6.403
  341    HB2  LEU  43           HB2      LEU  43  -6.742   5.710   3.958
  342    HB3  LEU  43           HB1      LEU  43  -5.855   6.969   4.797
  343    HG   LEU  43           HG       LEU  43  -6.652   4.333   6.018
  344   HD11  LEU  43          HD11      LEU  43  -5.046   4.021   4.242
  345   HD12  LEU  43          HD12      LEU  43  -4.320   3.747   5.824
  346   HD13  LEU  43          HD13      LEU  43  -4.006   5.253   4.957
  347   HD21  LEU  43          HD21      LEU  43  -4.833   6.525   7.014
  348   HD22  LEU  43          HD22      LEU  43  -5.066   4.957   7.783
  349   HD23  LEU  43          HD23      LEU  43  -6.408   6.093   7.681
  350    H    LEU  44           HN       LEU  44  -9.439   6.596   3.451
  351    HA   LEU  44           HA       LEU  44  -8.954   9.291   2.474
  352    HB2  LEU  44           HB2      LEU  44 -10.725   7.113   1.395
  353    HB3  LEU  44           HB1      LEU  44 -10.428   8.646   0.604
  354    HG   LEU  44           HG       LEU  44  -8.410   6.479   1.121
  355   HD11  LEU  44          HD11      LEU  44  -9.987   5.897  -0.626
  356   HD12  LEU  44          HD12      LEU  44  -8.399   6.241  -1.315
  357   HD13  LEU  44          HD13      LEU  44  -9.688   7.440  -1.430
  358   HD21  LEU  44          HD21      LEU  44  -8.113   9.135  -0.277
  359   HD22  LEU  44          HD22      LEU  44  -6.908   7.848  -0.274
  360   HD23  LEU  44          HD23      LEU  44  -7.337   8.651   1.234
  361    H    GLY  45           HN       GLY  45 -11.252   7.721   4.472
  362    HA2  GLY  45           HA2      GLY  45 -13.081   8.606   5.546
  363    HA3  GLY  45           HA1      GLY  45 -12.909  10.077   4.592
  364    H    VAL  46           HN       VAL  46 -13.116   6.787   3.338
  365    HA   VAL  46           HA       VAL  46 -15.741   7.416   2.237
  366    HB   VAL  46           HB       VAL  46 -15.150   6.432   0.090
  367   HG11  VAL  46          HG11      VAL  46 -13.568   8.055  -0.808
  368   HG12  VAL  46          HG12      VAL  46 -13.082   8.483   0.824
  369   HG13  VAL  46          HG13      VAL  46 -14.730   8.821   0.281
  370   HG21  VAL  46          HG21      VAL  46 -12.388   6.018   1.228
  371   HG22  VAL  46          HG22      VAL  46 -12.818   5.797  -0.469
  372   HG23  VAL  46          HG23      VAL  46 -13.542   4.767   0.768
  373    H    LYS  47           HN       LYS  47 -16.703   5.291   1.397
  374    HA   LYS  47           HA       LYS  47 -15.959   3.112   3.198
  375    HB2  LYS  47           HB2      LYS  47 -18.329   3.440   1.338
  376    HB3  LYS  47           HB1      LYS  47 -18.025   2.003   2.297
  377    HG2  LYS  47           HG2      LYS  47 -18.532   4.759   3.397
  378    HG3  LYS  47           HG1      LYS  47 -19.708   3.446   3.303
  379    HD2  LYS  47           HD2      LYS  47 -18.234   2.080   4.758
  380    HD3  LYS  47           HD1      LYS  47 -17.146   3.457   4.899
  381    HE2  LYS  47           HE2      LYS  47 -18.628   3.288   6.828
  382    HE3  LYS  47           HE1      LYS  47 -18.909   4.775   5.927
  383    HZ1  LYS  47           HZ1      LYS  47 -20.974   3.695   6.586
  384    HZ2  LYS  47           HZ2      LYS  47 -20.555   2.309   5.737
  385    HZ3  LYS  47           HZ3      LYS  47 -20.849   3.757   4.908
  386    H    LYS  48           HN       LYS  48 -15.447   1.008   2.321
  387    HA   LYS  48           HA       LYS  48 -13.715   1.112   0.228
  388    HB2  LYS  48           HB2      LYS  48 -13.824  -1.425   0.251
  389    HB3  LYS  48           HB1      LYS  48 -13.415  -0.627   1.753
  390    HG2  LYS  48           HG2      LYS  48 -15.706  -0.959   2.556
  391    HG3  LYS  48           HG1      LYS  48 -16.120  -1.754   1.040
  392    HD2  LYS  48           HD2      LYS  48 -13.899  -2.724   2.828
  393    HD3  LYS  48           HD1      LYS  48 -15.563  -3.264   3.025
  394    HE2  LYS  48           HE2      LYS  48 -14.007  -3.515   0.450
  395    HE3  LYS  48           HE1      LYS  48 -14.089  -4.790   1.658
  396    HZ1  LYS  48           HZ1      LYS  48 -16.482  -4.840   1.374
  397    HZ2  LYS  48           HZ2      LYS  48 -15.705  -5.148  -0.082
  398    HZ3  LYS  48           HZ3      LYS  48 -16.438  -3.649   0.185
  399    H    GLU  49           HN       GLU  49 -17.064   0.556   0.258
  400    HA   GLU  49           HA       GLU  49 -17.495  -0.643  -2.255
  401    HB2  GLU  49           HB2      GLU  49 -19.358   1.015  -0.571
  402    HB3  GLU  49           HB1      GLU  49 -19.826  -0.072  -1.875
  403    HG2  GLU  49           HG2      GLU  49 -18.543  -0.834   0.739
  404    HG3  GLU  49           HG1      GLU  49 -20.199  -1.165   0.228
  405    H    GLU  50           HN       GLU  50 -16.912   2.646  -1.286
  406    HA   GLU  50           HA       GLU  50 -18.157   3.932  -3.498
  407    HB2  GLU  50           HB2      GLU  50 -16.055   4.857  -1.562
  408    HB3  GLU  50           HB1      GLU  50 -16.887   5.896  -2.714
  409    HG2  GLU  50           HG2      GLU  50 -18.227   4.274  -0.612
  410    HG3  GLU  50           HG1      GLU  50 -17.778   5.978  -0.413
  411    H    LEU  51           HN       LEU  51 -15.180   2.367  -2.990
  412    HA   LEU  51           HA       LEU  51 -13.624   3.766  -4.873
  413    HB2  LEU  51           HB2      LEU  51 -13.346   1.058  -3.641
  414    HB3  LEU  51           HB1      LEU  51 -12.255   1.539  -4.914
  415    HG   LEU  51           HG       LEU  51 -11.492   3.439  -3.490
  416   HD11  LEU  51          HD11      LEU  51 -13.448   3.774  -2.120
  417   HD12  LEU  51          HD12      LEU  51 -12.042   3.448  -1.103
  418   HD13  LEU  51          HD13      LEU  51 -13.238   2.183  -1.397
  419   HD21  LEU  51          HD21      LEU  51 -11.291   0.727  -2.211
  420   HD22  LEU  51          HD22      LEU  51 -10.218   2.096  -1.911
  421   HD23  LEU  51          HD23      LEU  51 -10.270   1.347  -3.507
  422    H    GLY  52           HN       GLY  52 -15.509   0.725  -5.257
  423    HA2  GLY  52           HA2      GLY  52 -16.720   0.021  -7.076
  424    HA3  GLY  52           HA1      GLY  52 -16.513   1.618  -7.758
  425    H    ASP  53           HN       ASP  53 -14.726   2.025  -8.866
  426    HA   ASP  53           HA       ASP  53 -13.884  -0.217 -10.619
  427    HB2  ASP  53           HB2      ASP  53 -14.751   1.762 -11.820
  428    HB3  ASP  53           HB1      ASP  53 -13.485   2.751 -11.094
  429    H    ARG  54           HN       ARG  54 -12.761   1.861  -8.180
  430    HA   ARG  54           HA       ARG  54  -9.978   1.745  -8.863
  431    HB2  ARG  54           HB2      ARG  54 -11.433   2.672  -6.373
  432    HB3  ARG  54           HB1      ARG  54  -9.684   2.673  -6.516
  433    HG2  ARG  54           HG2      ARG  54 -11.572   4.222  -8.277
  434    HG3  ARG  54           HG1      ARG  54 -10.734   4.884  -6.876
  435    HD2  ARG  54           HD2      ARG  54  -8.572   4.374  -7.954
  436    HD3  ARG  54           HD1      ARG  54  -9.428   3.764  -9.369
  437    HE   ARG  54           HE       ARG  54 -10.346   6.327  -8.878
  438   HH11  ARG  54          HH11      ARG  54  -7.230   4.867  -9.781
  439   HH12  ARG  54          HH12      ARG  54  -6.711   6.189 -10.705
  440   HH21  ARG  54          HH21      ARG  54  -9.609   8.156 -10.173
  441   HH22  ARG  54          HH22      ARG  54  -8.099   8.076 -10.962
  442    H    ILE  55           HN       ILE  55 -12.301  -0.284  -7.462
  443    HA   ILE  55           HA       ILE  55 -10.677  -1.787  -5.651
  444    HB   ILE  55           HB       ILE  55 -13.224  -2.564  -7.112
  445   HG12  ILE  55          HG12      ILE  55 -13.541  -0.672  -5.569
  446   HG13  ILE  55          HG11      ILE  55 -14.387  -2.108  -5.009
  447   HG21  ILE  55          HG21      ILE  55 -11.891  -3.968  -4.797
  448   HG22  ILE  55          HG22      ILE  55 -12.036  -4.571  -6.447
  449   HG23  ILE  55          HG23      ILE  55 -13.480  -4.364  -5.454
  450   HD11  ILE  55          HD11      ILE  55 -11.788  -1.023  -3.967
  451   HD12  ILE  55          HD12      ILE  55 -12.521  -2.543  -3.466
  452   HD13  ILE  55          HD13      ILE  55 -13.352  -1.019  -3.143
  453    H    ALA  56           HN       ALA  56 -11.937  -2.415  -8.868
  454    HA   ALA  56           HA       ALA  56 -10.504  -4.788  -9.322
  455    HB1  ALA  56           HB1      ALA  56 -11.742  -2.868 -11.276
  456    HB2  ALA  56           HB2      ALA  56 -12.559  -4.234 -10.515
  457    HB3  ALA  56           HB3      ALA  56 -11.234  -4.512 -11.648
  458    H    GLN  57           HN       GLN  57  -9.954  -1.405 -10.255
  459    HA   GLN  57           HA       GLN  57  -7.617  -1.830 -11.704
  460    HB2  GLN  57           HB2      GLN  57  -8.769   0.326 -11.739
  461    HB3  GLN  57           HB1      GLN  57  -8.390   0.579 -10.040
  462    HG2  GLN  57           HG2      GLN  57  -6.909   1.882 -11.462
  463    HG3  GLN  57           HG1      GLN  57  -6.012   0.662 -10.568
  464   HE21  GLN  57          HE21      GLN  57  -4.323   0.643 -12.015
  465   HE22  GLN  57          HE22      GLN  57  -4.426  -0.043 -13.580
  466    H    PHE  58           HN       PHE  58  -8.008  -1.047  -8.256
  467    HA   PHE  58           HA       PHE  58  -5.293  -1.188  -7.609
  468    HB2  PHE  58           HB2      PHE  58  -6.812  -0.237  -6.035
  469    HB3  PHE  58           HB1      PHE  58  -7.714  -1.710  -5.837
  470    HD1  PHE  58           HD1      PHE  58  -4.619   0.063  -5.048
  471    HD2  PHE  58           HD2      PHE  58  -6.884  -3.463  -4.403
  472    HE1  PHE  58           HE1      PHE  58  -3.215  -0.482  -3.104
  473    HE2  PHE  58           HE2      PHE  58  -5.471  -4.038  -2.502
  474    HZ   PHE  58           HZ       PHE  58  -3.645  -2.523  -1.821
  475    H    TYR  59           HN       TYR  59  -7.660  -3.827  -7.856
  476    HA   TYR  59           HA       TYR  59  -6.025  -5.864  -6.840
  477    HB2  TYR  59           HB2      TYR  59  -8.540  -5.908  -7.275
  478    HB3  TYR  59           HB1      TYR  59  -8.144  -6.147  -8.968
  479    HD1  TYR  59           HD2      TYR  59  -7.739  -7.610  -5.602
  480    HD2  TYR  59           HD1      TYR  59  -7.723  -8.353  -9.788
  481    HE1  TYR  59           HE2      TYR  59  -7.655 -10.013  -5.160
  482    HE2  TYR  59           HE1      TYR  59  -7.643 -10.777  -9.353
  483    HH   TYR  59           HH       TYR  59  -6.917 -12.285  -7.505
  484    H    THR  60           HN       THR  60  -6.144  -4.315  -9.989
  485    HA   THR  60           HA       THR  60  -4.292  -6.249 -11.103
  486    HB   THR  60           HB       THR  60  -5.111  -3.524 -12.169
  487    HG1  THR  60           HG1      THR  60  -6.235  -5.902 -13.131
  488   HG21  THR  60          HG21      THR  60  -4.500  -4.485 -14.356
  489   HG22  THR  60          HG22      THR  60  -4.016  -5.985 -13.558
  490   HG23  THR  60          HG23      THR  60  -3.131  -4.493 -13.245
  491    H    ASP  61           HN       ASP  61  -4.260  -2.829 -10.190
  492    HA   ASP  61           HA       ASP  61  -1.672  -2.173 -10.832
  493    HB2  ASP  61           HB2      ASP  61  -3.617  -0.676 -10.417
  494    HB3  ASP  61           HB1      ASP  61  -3.410  -0.965  -8.699
  495    H    LEU  62           HN       LEU  62  -2.942  -3.064  -7.605
  496    HA   LEU  62           HA       LEU  62  -0.412  -2.821  -6.207
  497    HB2  LEU  62           HB2      LEU  62  -2.536  -2.756  -4.984
  498    HB3  LEU  62           HB1      LEU  62  -2.924  -4.360  -5.549
  499    HG   LEU  62           HG       LEU  62  -0.693  -4.992  -4.356
  500   HD11  LEU  62          HD11      LEU  62  -1.407  -2.467  -2.932
  501   HD12  LEU  62          HD12      LEU  62   0.082  -2.844  -3.810
  502   HD13  LEU  62          HD13      LEU  62  -0.308  -3.701  -2.324
  503   HD21  LEU  62          HD21      LEU  62  -1.937  -5.483  -2.290
  504   HD22  LEU  62          HD22      LEU  62  -2.849  -5.899  -3.743
  505   HD23  LEU  62          HD23      LEU  62  -3.243  -4.435  -2.850
  506    H    ASN  63           HN       ASN  63  -2.116  -5.424  -7.734
  507    HA   ASN  63           HA       ASN  63  -0.534  -7.435  -6.490
  508    HB2  ASN  63           HB2      ASN  63  -2.504  -7.565  -8.764
  509    HB3  ASN  63           HB1      ASN  63  -1.686  -8.974  -8.118
  510   HD21  ASN  63          HD21      ASN  63  -2.986  -6.294  -5.974
  511   HD22  ASN  63          HD22      ASN  63  -4.199  -7.322  -5.343
  512    H    ILE  64           HN       ILE  64  -0.060  -5.464  -9.122
  513    HA   ILE  64           HA       ILE  64   2.061  -7.250 -10.151
  514    HB   ILE  64           HB       ILE  64   2.123  -5.928 -12.206
  515   HG12  ILE  64          HG12      ILE  64  -0.215  -4.379 -11.044
  516   HG13  ILE  64          HG11      ILE  64   1.414  -3.755 -11.255
  517   HG21  ILE  64          HG21      ILE  64  -0.642  -6.901 -11.510
  518   HG22  ILE  64          HG22      ILE  64   0.679  -7.861 -12.177
  519   HG23  ILE  64          HG23      ILE  64  -0.061  -6.582 -13.142
  520   HD11  ILE  64          HD11      ILE  64  -0.078  -2.952 -12.997
  521   HD12  ILE  64          HD12      ILE  64  -0.453  -4.612 -13.460
  522   HD13  ILE  64          HD13      ILE  64   1.180  -3.983 -13.681
  523    H    ASP  65           HN       ASP  65   1.827  -4.809  -7.971
  524    HA   ASP  65           HA       ASP  65   4.245  -3.514  -8.847
  525    HB2  ASP  65           HB2      ASP  65   2.638  -2.156  -7.504
  526    HB3  ASP  65           HB1      ASP  65   2.907  -3.226  -6.127
  527    H    GLY  66           HN       GLY  66   6.207  -3.735  -8.069
  528    HA2  GLY  66           HA2      GLY  66   6.904  -6.416  -7.353
  529    HA3  GLY  66           HA1      GLY  66   7.938  -5.023  -7.686
  530    H    ARG  67           HN       ARG  67   5.935  -3.969  -5.271
  531    HA   ARG  67           HA       ARG  67   7.952  -4.849  -3.361
  532    HB2  ARG  67           HB2      ARG  67   6.735  -2.139  -3.776
  533    HB3  ARG  67           HB1      ARG  67   7.343  -2.578  -2.188
  534    HG2  ARG  67           HG2      ARG  67   9.034  -1.332  -3.461
  535    HG3  ARG  67           HG1      ARG  67   9.570  -2.971  -3.119
  536    HD2  ARG  67           HD2      ARG  67   8.789  -3.566  -5.459
  537    HD3  ARG  67           HD1      ARG  67   8.589  -1.843  -5.736
  538    HE   ARG  67           HE       ARG  67  10.943  -1.569  -5.547
  539   HH11  ARG  67          HH11      ARG  67   9.999  -5.031  -5.509
  540   HH12  ARG  67          HH12      ARG  67  11.454  -5.558  -6.180
  541   HH21  ARG  67          HH21      ARG  67  13.052  -2.427  -6.410
  542   HH22  ARG  67          HH22      ARG  67  13.176  -4.085  -6.688
  543    H    PHE  68           HN       PHE  68   5.133  -5.849  -4.005
  544    HA   PHE  68           HA       PHE  68   4.225  -6.111  -1.179
  545    HB2  PHE  68           HB2      PHE  68   2.525  -5.758  -3.643
  546    HB3  PHE  68           HB1      PHE  68   1.921  -6.186  -2.044
  547    HD1  PHE  68           HD2      PHE  68   3.625  -3.617  -3.975
  548    HD2  PHE  68           HD1      PHE  68   1.591  -4.583  -0.405
  549    HE1  PHE  68           HE2      PHE  68   3.474  -1.203  -3.418
  550    HE2  PHE  68           HE1      PHE  68   1.451  -2.200   0.182
  551    HZ   PHE  68           HZ       PHE  68   2.374  -0.527  -1.291
  552    H    LEU  69           HN       LEU  69   4.328  -8.091  -0.537
  553    HA   LEU  69           HA       LEU  69   4.144 -10.191  -2.545
  554    HB2  LEU  69           HB2      LEU  69   5.257 -11.658  -0.761
  555    HB3  LEU  69           HB1      LEU  69   6.253 -10.484  -1.581
  556    HG   LEU  69           HG       LEU  69   5.957  -9.015   0.517
  557   HD11  LEU  69          HD11      LEU  69   4.098 -10.103   1.557
  558   HD12  LEU  69          HD12      LEU  69   5.504 -10.167   2.620
  559   HD13  LEU  69          HD13      LEU  69   5.012 -11.598   1.709
  560   HD21  LEU  69          HD21      LEU  69   7.467 -11.612   0.728
  561   HD22  LEU  69          HD22      LEU  69   7.708 -10.210   1.767
  562   HD23  LEU  69          HD23      LEU  69   8.078 -10.097   0.059
  563    H    ALA  70           HN       ALA  70   2.481 -11.593  -2.525
  564    HA   ALA  70           HA       ALA  70   0.600 -11.474  -0.245
  565    HB1  ALA  70           HB1      ALA  70   0.298 -12.878  -2.927
  566    HB2  ALA  70           HB2      ALA  70  -0.363 -11.279  -2.592
  567    HB3  ALA  70           HB3      ALA  70  -0.955 -12.683  -1.703
  568    H    LEU  71           HN       LEU  71   0.237 -12.902   1.058
  569    HA   LEU  71           HA       LEU  71   2.458 -14.742   1.352
  570    HB2  LEU  71           HB2      LEU  71   0.278 -14.041   3.294
  571    HB3  LEU  71           HB1      LEU  71   1.464 -15.278   3.617
  572    HG   LEU  71           HG       LEU  71   3.236 -13.493   3.425
  573   HD11  LEU  71          HD11      LEU  71   0.871 -11.635   3.486
  574   HD12  LEU  71          HD12      LEU  71   2.001 -11.845   2.148
  575   HD13  LEU  71          HD13      LEU  71   2.565 -11.174   3.679
  576   HD21  LEU  71          HD21      LEU  71   2.776 -12.588   5.641
  577   HD22  LEU  71          HD22      LEU  71   2.473 -14.325   5.553
  578   HD23  LEU  71          HD23      LEU  71   1.123 -13.187   5.535
  579    H    SER  72           HN       SER  72  -0.767 -15.549   2.491
  580    HA   SER  72           HA       SER  72  -0.321 -18.276   1.686
  581    HB2  SER  72           HB2      SER  72  -2.505 -18.481   2.995
  582    HB3  SER  72           HB1      SER  72  -1.094 -17.920   3.901
  583    HG   SER  72           HG       SER  72  -3.265 -16.735   3.970
  584    H    ASP  73           HN       ASP  73  -2.798 -15.780   1.289
  585    HA   ASP  73           HA       ASP  73  -3.148 -16.279  -1.466
  586    HB2  ASP  73           HB2      ASP  73  -5.299 -17.351  -1.606
  587    HB3  ASP  73           HB1      ASP  73  -4.272 -18.364  -0.608
  588    H    GLN  74           HN       GLN  74  -4.519 -15.085   1.516
  589    HA   GLN  74           HA       GLN  74  -5.721 -13.083  -0.141
  590    HB2  GLN  74           HB2      GLN  74  -7.265 -12.626   1.874
  591    HB3  GLN  74           HB1      GLN  74  -7.574 -13.965   0.790
  592    HG2  GLN  74           HG2      GLN  74  -7.977 -14.630   3.046
  593    HG3  GLN  74           HG1      GLN  74  -6.560 -15.477   2.443
  594   HE21  GLN  74          HE21      GLN  74  -7.746 -13.029   4.646
  595   HE22  GLN  74          HE22      GLN  74  -6.332 -13.032   5.617
  596    H    THR  75           HN       THR  75  -3.612 -13.282   2.622
  597    HA   THR  75           HA       THR  75  -3.529 -10.561   3.326
  598    HB   THR  75           HB       THR  75  -1.348 -11.590   4.318
  599    HG1  THR  75           HG1      THR  75  -2.597 -14.047   4.332
  600   HG21  THR  75          HG21      THR  75  -4.085 -12.525   5.226
  601   HG22  THR  75          HG22      THR  75  -3.333 -10.989   5.656
  602   HG23  THR  75          HG23      THR  75  -2.626 -12.506   6.217
  603    H    TRP  76           HN       TRP  76  -2.042  -9.141   2.753
  604    HA   TRP  76           HA       TRP  76  -0.002  -9.685   0.719
  605    HB2  TRP  76           HB2      TRP  76  -1.746  -7.331   1.341
  606    HB3  TRP  76           HB1      TRP  76  -0.256  -7.190   0.406
  607    HD1  TRP  76           HD1      TRP  76  -3.828  -8.468   0.173
  608    HE1  TRP  76           HE1      TRP  76  -4.280  -9.157  -2.258
  609    HE3  TRP  76           HE3      TRP  76   0.907  -8.051  -1.662
  610    HZ2  TRP  76           HZ2      TRP  76  -2.811  -9.464  -4.635
  611    HZ3  TRP  76           HZ3      TRP  76   1.306  -8.556  -4.033
  612    HH2  TRP  76           HH2      TRP  76  -0.515  -9.262  -5.484
  613    H    GLY  77           HN       GLY  77   1.971  -8.734   1.265
  614    HA2  GLY  77           HA2      GLY  77   2.109  -7.232   3.772
  615    HA3  GLY  77           HA1      GLY  77   3.165  -8.629   3.558
  616    H    LEU  78           HN       LEU  78   3.864  -5.835   3.890
  617    HA   LEU  78           HA       LEU  78   4.806  -4.876   1.357
  618    HB2  LEU  78           HB2      LEU  78   5.135  -4.058   4.085
  619    HB3  LEU  78           HB1      LEU  78   6.708  -4.146   3.338
  620    HG   LEU  78           HG       LEU  78   4.407  -2.355   2.602
  621   HD11  LEU  78          HD11      LEU  78   7.231  -1.842   3.412
  622   HD12  LEU  78          HD12      LEU  78   5.778  -1.595   4.381
  623   HD13  LEU  78          HD13      LEU  78   6.061  -0.609   2.943
  624   HD21  LEU  78          HD21      LEU  78   5.733  -1.470   0.794
  625   HD22  LEU  78          HD22      LEU  78   5.298  -3.142   0.484
  626   HD23  LEU  78          HD23      LEU  78   6.945  -2.735   1.011
  627    H    ARG  79           HN       ARG  79   6.623  -5.380   0.209
  628    HA   ARG  79           HA       ARG  79   7.975  -7.801   0.910
  629    HB2  ARG  79           HB2      ARG  79   8.217  -5.912  -1.391
  630    HB3  ARG  79           HB1      ARG  79   9.398  -7.186  -1.147
  631    HG2  ARG  79           HG2      ARG  79   7.712  -8.866  -1.373
  632    HG3  ARG  79           HG1      ARG  79   6.439  -7.643  -1.410
  633    HD2  ARG  79           HD2      ARG  79   7.147  -6.838  -3.462
  634    HD3  ARG  79           HD1      ARG  79   8.667  -7.765  -3.418
  635    HE   ARG  79           HE       ARG  79   6.221  -9.293  -3.402
  636   HH11  ARG  79          HH11      ARG  79   8.730  -7.807  -5.386
  637   HH12  ARG  79          HH12      ARG  79   8.479  -8.823  -6.737
  638   HH21  ARG  79          HH21      ARG  79   5.877 -10.709  -5.268
  639   HH22  ARG  79          HH22      ARG  79   6.827 -10.490  -6.662
  640    H    SER  80           HN       SER  80   8.471  -4.923   2.305
  641    HA   SER  80           HA       SER  80  11.201  -4.385   1.834
  642    HB2  SER  80           HB2      SER  80  10.724  -2.933   3.913
  643    HB3  SER  80           HB1      SER  80   9.887  -2.575   2.397
  644    HG   SER  80           HG       SER  80   8.852  -3.424   4.779
  645    H    TRP  81           HN       TRP  81   9.685  -6.732   3.633
  646    HA   TRP  81           HA       TRP  81  11.781  -6.916   5.649
  647    HB2  TRP  81           HB2      TRP  81   9.435  -8.819   5.285
  648    HB3  TRP  81           HB1      TRP  81  10.355  -8.515   6.761
  649    HD1  TRP  81           HD1      TRP  81  10.252  -5.437   7.030
  650    HE1  TRP  81           HE1      TRP  81   8.082  -4.119   7.338
  651    HE3  TRP  81           HE3      TRP  81   6.968  -8.988   5.360
  652    HZ2  TRP  81           HZ2      TRP  81   5.285  -4.559   6.921
  653    HZ3  TRP  81           HZ3      TRP  81   4.569  -8.460   5.372
  654    HH2  TRP  81           HH2      TRP  81   3.756  -6.288   6.141
  655    H    TYR  82           HN       TYR  82  11.609  -7.506   2.602
  656    HA   TYR  82           HA       TYR  82  13.323  -9.858   2.546
  657    HB2  TYR  82           HB2      TYR  82  11.273 -10.494   1.458
  658    HB3  TYR  82           HB1      TYR  82  11.071  -8.911   0.741
  659    HD1  TYR  82           HD1      TYR  82  12.991 -12.085   0.510
  660    HD2  TYR  82           HD2      TYR  82  11.885  -8.462  -1.414
  661    HE1  TYR  82           HE1      TYR  82  13.911 -12.934  -1.618
  662    HE2  TYR  82           HE2      TYR  82  12.799  -9.286  -3.531
  663    HH   TYR  82           HH       TYR  82  14.372 -10.848  -4.298
  664    HA   PRO  83           HA       PRO  83  16.328  -6.844   1.150
  665    HB2  PRO  83           HB2      PRO  83  17.315  -8.913  -0.738
  666    HB3  PRO  83           HB1      PRO  83  18.187  -8.010   0.505
  667    HG2  PRO  83           HG2      PRO  83  17.555 -10.552   0.897
  668    HG3  PRO  83           HG1      PRO  83  17.431  -9.375   2.218
  669    HD2  PRO  83           HD2      PRO  83  15.259 -10.548   0.518
  670    HD3  PRO  83           HD1      PRO  83  15.285 -10.231   2.268
  671    H    TYR  84           HN       TYR  84  16.254  -5.224  -0.324
  672    HA   TYR  84           HA       TYR  84  16.639  -5.481  -2.996
  673    HB2  TYR  84           HB2      TYR  84  14.517  -4.714  -4.046
  674    HB3  TYR  84           HB1      TYR  84  14.308  -6.259  -3.264
  675    HD1  TYR  84           HD1      TYR  84  12.950  -6.436  -1.269
  676    HD2  TYR  84           HD2      TYR  84  13.323  -2.794  -3.371
  677    HE1  TYR  84           HE1      TYR  84  10.931  -5.621  -0.202
  678    HE2  TYR  84           HE2      TYR  84  11.301  -1.959  -2.290
  679    HH   TYR  84           HH       TYR  84   9.886  -3.565   0.347
  680    H    ASP  85           HN       ASP  85  15.205  -3.043  -3.725
  681    HA   ASP  85           HA       ASP  85  17.330  -1.389  -3.315
  682    HB2  ASP  85           HB2      ASP  85  14.509  -0.608  -4.050
  683    HB3  ASP  85           HB1      ASP  85  15.854   0.511  -4.107
  684    H    GLN  86           HN       GLN  86  14.426  -1.696  -1.456
  685    HA   GLN  86           HA       GLN  86  15.447   0.179   0.478
  686    HB2  GLN  86           HB2      GLN  86  13.067   0.863   0.897
  687    HB3  GLN  86           HB1      GLN  86  13.791   1.483  -0.579
  688    HG2  GLN  86           HG2      GLN  86  12.173   0.567  -1.814
  689    HG3  GLN  86           HG1      GLN  86  12.517  -1.012  -1.058
  690   HE21  GLN  86          HE21      GLN  86  11.744  -0.386   1.572
  691   HE22  GLN  86          HE22      GLN  86  10.041  -0.052   1.521
  692    H    LEU  87           HN       LEU  87  14.518  -0.173   2.529
  693    HA   LEU  87           HA       LEU  87  13.598  -2.934   2.950
  694    HB2  LEU  87           HB2      LEU  87  15.390  -1.288   4.755
  695    HB3  LEU  87           HB1      LEU  87  14.852  -2.925   5.057
  696    HG   LEU  87           HG       LEU  87  16.735  -2.056   2.861
  697   HD11  LEU  87          HD11      LEU  87  17.762  -1.988   5.050
  698   HD12  LEU  87          HD12      LEU  87  18.400  -3.330   4.099
  699   HD13  LEU  87          HD13      LEU  87  17.218  -3.636   5.371
  700   HD21  LEU  87          HD21      LEU  87  15.382  -3.941   2.118
  701   HD22  LEU  87          HD22      LEU  87  15.753  -4.812   3.606
  702   HD23  LEU  87          HD23      LEU  87  17.035  -4.465   2.446
  703    H    ASP  88           HN       ASP  88  12.874  -2.767   5.598
  704    HA   ASP  88           HA       ASP  88  10.532  -1.204   5.470
  705    HB2  ASP  88           HB2      ASP  88  10.523  -3.409   6.498
  706    HB3  ASP  88           HB1      ASP  88  11.726  -2.908   7.676
  707    H    GLU  89           HN       GLU  89  11.000   1.093   5.670
  708    HA   GLU  89           HA       GLU  89  11.895   2.321   7.990
  709    HB2  GLU  89           HB2      GLU  89  13.990   1.011   7.400
  710    HB3  GLU  89           HB1      GLU  89  14.076   1.929   5.915
  711    HG2  GLU  89           HG2      GLU  89  14.489   3.941   7.138
  712    HG3  GLU  89           HG1      GLU  89  14.245   3.098   8.672
  713    H    GLU  90           HN       GLU  90  12.191   4.672   7.526
  714    HA   GLU  90           HA       GLU  90  10.516   5.472   5.308
  715    HB2  GLU  90           HB2      GLU  90  11.788   7.150   7.464
  716    HB3  GLU  90           HB1      GLU  90  10.544   7.676   6.345
  717    HG2  GLU  90           HG2      GLU  90   9.044   5.947   7.285
  718    HG3  GLU  90           HG1      GLU  90  10.280   5.585   8.480
  719    H    THR  91           HN       THR  91  13.266   4.631   4.939
  720    HA   THR  91           HA       THR  91  14.821   6.859   4.034
  721    HB   THR  91           HB       THR  91  15.266   3.917   3.508
  722    HG1  THR  91           HG1      THR  91  16.242   3.998   5.588
  723   HG21  THR  91          HG21      THR  91  16.704   5.491   2.186
  724   HG22  THR  91          HG22      THR  91  17.629   4.586   3.382
  725   HG23  THR  91          HG23      THR  91  17.194   6.266   3.693
  726    H    GLN  92           HN       GLN  92  12.139   5.470   2.715
  727    HA   GLN  92           HA       GLN  92  12.951   6.324   0.087
  728    HB2  GLN  92           HB2      GLN  92  11.187   4.523  -0.786
  729    HB3  GLN  92           HB1      GLN  92  12.892   4.181  -0.581
  730    HG2  GLN  92           HG2      GLN  92  11.693   2.337   0.268
  731    HG3  GLN  92           HG1      GLN  92  12.348   3.191   1.644
  732   HE21  GLN  92          HE21      GLN  92  10.885   2.208   2.976
  733   HE22  GLN  92          HE22      GLN  92   9.217   2.641   3.035
  734    H    LEU  93           HN       LEU  93   9.705   5.471   1.397
  735    HA   LEU  93           HA       LEU  93   8.139   6.899   2.224
  736    HB2  LEU  93           HB2      LEU  93   9.625   9.148   0.810
  737    HB3  LEU  93           HB1      LEU  93   8.100   9.358   1.638
  738    HG   LEU  93           HG       LEU  93  10.699   8.559   2.964
  739   HD11  LEU  93          HD11      LEU  93   9.217  11.180   2.954
  740   HD12  LEU  93          HD12      LEU  93  10.743  10.842   2.133
  741   HD13  LEU  93          HD13      LEU  93  10.663  10.807   3.896
  742   HD21  LEU  93          HD21      LEU  93   8.761   7.683   4.146
  743   HD22  LEU  93          HD22      LEU  93   8.001   9.273   4.114
  744   HD23  LEU  93          HD23      LEU  93   9.472   9.022   5.051
  745    H    GLU  94           HN       GLU  94   7.312   5.350   0.951
  746    HA   GLU  94           HA       GLU  94   6.388   4.308  -0.744
  747    HB2  GLU  94           HB2      GLU  94   5.158   6.707  -0.966
  748    HB3  GLU  94           HB1      GLU  94   6.150   6.818  -2.410
  749    HG2  GLU  94           HG2      GLU  94   4.063   4.723  -1.812
  750    HG3  GLU  94           HG1      GLU  94   3.932   6.040  -2.966
  751    H    HIS  95           HN       HIS  95   7.177   3.368  -2.646
  752    HA   HIS  95           HA       HIS  95   9.946   3.911  -2.679
  753    HB2  HIS  95           HB2      HIS  95  10.363   1.873  -3.566
  754    HB3  HIS  95           HB1      HIS  95   8.981   1.621  -2.623
  755    HD1  HIS  95           HD1      HIS  95   9.678   1.718  -6.428
  756    HD2  HIS  95           HD2      HIS  95   6.696   0.488  -3.778
  757    HE1  HIS  95           HE1      HIS  95   7.982   0.501  -7.798
  758    HE2  HIS  95           HE2      HIS  95   6.181  -0.208  -6.200
  759    H    HIS  96           HN       HIS  96  10.449   5.649  -3.817
  760    HA   HIS  96           HA       HIS  96   8.679   6.504  -5.821
  761    HB2  HIS  96           HB2      HIS  96  10.028   8.634  -5.941
  762    HB3  HIS  96           HB1      HIS  96   9.319   8.235  -4.385
  763    HD1  HIS  96           HD1      HIS  96  10.907   8.239  -2.399
  764    HD2  HIS  96           HD2      HIS  96  12.885   8.153  -6.063
  765    HE1  HIS  96           HE1      HIS  96  13.308   8.533  -1.869
  766    HE2  HIS  96           HE2      HIS  96  14.428   8.782  -4.101
  767    H    HIS  97           HN       HIS  97  11.772   5.019  -6.090
  768    HA   HIS  97           HA       HIS  97  11.722   5.790  -8.888
  769    HB2  HIS  97           HB2      HIS  97  13.922   5.065  -9.162
  770    HB3  HIS  97           HB1      HIS  97  13.948   5.434  -7.453
  771    HD1  HIS  97           HD1      HIS  97  14.245   2.642  -9.911
  772    HD2  HIS  97           HD2      HIS  97  14.221   3.114  -5.777
  773    HE1  HIS  97           HE1      HIS  97  15.115   0.521  -8.991
  774    HE2  HIS  97           HE2      HIS  97  15.511   1.010  -6.625
  775    H    HIS  98           HN       HIS  98  11.054   4.517 -10.507
  776    HA   HIS  98           HA       HIS  98   9.802   2.042  -9.616
  777    HB2  HIS  98           HB2      HIS  98   8.381   3.888 -10.582
  778    HB3  HIS  98           HB1      HIS  98   9.208   3.632 -12.108
  779    HD1  HIS  98           HD1      HIS  98   8.212   1.904 -13.609
  780    HD2  HIS  98           HD2      HIS  98   6.896   1.546  -9.700
  781    HE1  HIS  98           HE1      HIS  98   6.389   0.179 -13.661
  782    HE2  HIS  98           HE2      HIS  98   5.424   0.268 -11.361
  783    H    HIS  99           HN       HIS  99  11.317   0.564  -9.849
  784    HA   HIS  99           HA       HIS  99  12.588  -1.038 -10.788
  785    HB2  HIS  99           HB2      HIS  99  10.727  -1.029 -12.506
  786    HB3  HIS  99           HB1      HIS  99  11.729   0.008 -13.503
  787    HD1  HIS  99           HD1      HIS  99  13.364  -1.155 -15.028
  788    HD2  HIS  99           HD2      HIS  99  11.836  -3.691 -12.119
  789    HE1  HIS  99           HE1      HIS  99  14.233  -3.429 -15.591
  790    HE2  HIS  99           HE2      HIS  99  13.016  -4.950 -14.016
  791    H    HIS 100           HN       HIS 100  14.628  -1.399 -12.128
  792    HA   HIS 100           HA       HIS 100  16.052   1.054 -12.738
  793    HB2  HIS 100           HB2      HIS 100  16.701   0.424 -10.441
  794    HB3  HIS 100           HB1      HIS 100  17.105  -1.194 -11.000
  795    HD1  HIS 100           HD1      HIS 100  19.470  -1.543 -11.676
  796    HD2  HIS 100           HD2      HIS 100  18.450   2.475 -11.599
  797    HE1  HIS 100           HE1      HIS 100  21.607  -0.291 -12.106
  798    HE2  HIS 100           HE2      HIS 100  20.983   2.130 -11.866
  Start of MODEL    7
    1    H1   GLY   2           HT1      GLY   2  -2.578  10.942   8.360
    2    H2   GLY   2           HT2      GLY   2  -3.856  10.192   7.582
    3    H3   GLY   2           HT3      GLY   2  -3.546  11.829   7.295
    4    HA2  GLY   2           HA1      GLY   2  -2.778  10.419   5.467
    5    HA3  GLY   2           HA2      GLY   2  -1.433  11.232   6.267
    6    H    ILE   3           HN       ILE   3   0.230   9.902   6.444
    7    HA   ILE   3           HA       ILE   3  -0.205   7.297   7.678
    8    HB   ILE   3           HB       ILE   3   1.779   7.516   5.358
    9   HG12  ILE   3          HG12      ILE   3  -0.542   7.441   4.400
   10   HG13  ILE   3          HG11      ILE   3   0.453   6.011   4.087
   11   HG21  ILE   3          HG21      ILE   3   2.479   5.996   7.043
   12   HG22  ILE   3          HG22      ILE   3   1.935   5.064   5.641
   13   HG23  ILE   3          HG23      ILE   3   0.905   5.210   7.058
   14   HD11  ILE   3          HD11      ILE   3  -1.819   5.483   4.533
   15   HD12  ILE   3          HD12      ILE   3  -1.648   6.157   6.179
   16   HD13  ILE   3          HD13      ILE   3  -0.660   4.762   5.653
   17    H    LYS   4           HN       LYS   4   2.700   8.757   6.201
   18    HA   LYS   4           HA       LYS   4   4.118   8.414   8.732
   19    HB2  LYS   4           HB2      LYS   4   4.790   7.423   6.443
   20    HB3  LYS   4           HB1      LYS   4   5.254   9.062   6.032
   21    HG2  LYS   4           HG2      LYS   4   7.222   8.017   6.723
   22    HG3  LYS   4           HG1      LYS   4   6.716   8.988   8.114
   23    HD2  LYS   4           HD2      LYS   4   5.666   7.015   9.103
   24    HD3  LYS   4           HD1      LYS   4   6.178   6.054   7.719
   25    HE2  LYS   4           HE2      LYS   4   8.526   6.615   8.286
   26    HE3  LYS   4           HE1      LYS   4   7.929   7.415   9.743
   27    HZ1  LYS   4           HZ1      LYS   4   8.505   5.196  10.360
   28    HZ2  LYS   4           HZ2      LYS   4   7.756   4.588   8.995
   29    HZ3  LYS   4           HZ3      LYS   4   6.807   5.178  10.225
   30    H    GLN   5           HN       GLN   5   3.859  10.638   5.981
   31    HA   GLN   5           HA       GLN   5   4.188  13.005   7.676
   32    HB2  GLN   5           HB2      GLN   5   5.978  13.830   6.197
   33    HB3  GLN   5           HB1      GLN   5   6.466  12.351   7.018
   34    HG2  GLN   5           HG2      GLN   5   6.092  11.053   5.035
   35    HG3  GLN   5           HG1      GLN   5   5.386  12.429   4.202
   36   HE21  GLN   5          HE21      GLN   5   7.622  10.788   3.371
   37   HE22  GLN   5          HE22      GLN   5   8.958  11.871   3.240
   38    H    TYR   6           HN       TYR   6   2.210  11.611   5.845
   39    HA   TYR   6           HA       TYR   6   2.128  13.509   3.606
   40    HB2  TYR   6           HB2      TYR   6   0.743  10.821   3.763
   41    HB3  TYR   6           HB1      TYR   6   0.943  11.835   2.335
   42    HD1  TYR   6           HD2      TYR   6   3.356  12.277   1.532
   43    HD2  TYR   6           HD1      TYR   6   2.328   9.191   4.275
   44    HE1  TYR   6           HE2      TYR   6   5.511  11.174   1.087
   45    HE2  TYR   6           HE1      TYR   6   4.482   8.088   3.848
   46    HH   TYR   6           HH       TYR   6   6.188   7.999   2.179
   47    H    SER   7           HN       SER   7   0.674  15.035   3.849
   48    HA   SER   7           HA       SER   7  -1.449  14.923   5.816
   49    HB2  SER   7           HB2      SER   7  -0.226  17.028   5.043
   50    HB3  SER   7           HB1      SER   7  -1.081  16.859   3.511
   51    HG   SER   7           HG       SER   7  -2.764  17.717   4.405
   52    H    GLN   8           HN       GLN   8  -3.724  15.313   5.217
   53    HA   GLN   8           HA       GLN   8  -4.576  13.042   3.928
   54    HB2  GLN   8           HB2      GLN   8  -5.833  14.298   5.655
   55    HB3  GLN   8           HB1      GLN   8  -6.181  15.535   4.458
   56    HG2  GLN   8           HG2      GLN   8  -8.092  14.045   4.686
   57    HG3  GLN   8           HG1      GLN   8  -7.280  13.944   3.107
   58   HE21  GLN   8          HE21      GLN   8  -8.399  11.867   2.890
   59   HE22  GLN   8          HE22      GLN   8  -7.689  10.469   3.626
   60    H    GLU   9           HN       GLU   9  -4.245  16.348   2.683
   61    HA   GLU   9           HA       GLU   9  -5.556  16.012   0.252
   62    HB2  GLU   9           HB2      GLU   9  -3.163  17.770   0.873
   63    HB3  GLU   9           HB1      GLU   9  -4.216  17.952  -0.508
   64    HG2  GLU   9           HG2      GLU   9  -4.750  19.651   1.079
   65    HG3  GLU   9           HG1      GLU   9  -6.074  18.492   1.077
   66    H    GLU  10           HN       GLU  10  -2.263  15.383   1.233
   67    HA   GLU  10           HA       GLU  10  -1.211  14.925  -1.372
   68    HB2  GLU  10           HB2      GLU  10  -0.155  14.122   1.345
   69    HB3  GLU  10           HB1      GLU  10   0.768  14.169  -0.143
   70    HG2  GLU  10           HG2      GLU  10   0.507  16.597  -0.231
   71    HG3  GLU  10           HG1      GLU  10  -0.449  16.549   1.249
   72    H    LEU  11           HN       LEU  11  -2.301  13.013   1.321
   73    HA   LEU  11           HA       LEU  11  -1.423  10.584   0.302
   74    HB2  LEU  11           HB2      LEU  11  -1.603  11.124   2.710
   75    HB3  LEU  11           HB1      LEU  11  -3.336  11.168   2.573
   76    HG   LEU  11           HG       LEU  11  -2.391   9.190   3.766
   77   HD11  LEU  11          HD11      LEU  11  -4.639   9.094   2.903
   78   HD12  LEU  11          HD12      LEU  11  -3.843   7.526   2.755
   79   HD13  LEU  11          HD13      LEU  11  -4.031   8.557   1.337
   80   HD21  LEU  11          HD21      LEU  11  -1.406   7.387   2.461
   81   HD22  LEU  11          HD22      LEU  11  -0.430   8.854   2.372
   82   HD23  LEU  11          HD23      LEU  11  -1.471   8.399   1.022
   83    H    LYS  12           HN       LYS  12  -4.596  12.071   0.493
   84    HA   LYS  12           HA       LYS  12  -6.067   9.815  -0.364
   85    HB2  LYS  12           HB2      LYS  12  -8.017  11.229  -0.663
   86    HB3  LYS  12           HB1      LYS  12  -7.176  11.649   0.815
   87    HG2  LYS  12           HG2      LYS  12  -6.174  13.595  -0.325
   88    HG3  LYS  12           HG1      LYS  12  -7.077  13.169  -1.780
   89    HD2  LYS  12           HD2      LYS  12  -8.355  13.776   0.880
   90    HD3  LYS  12           HD1      LYS  12  -8.110  14.981  -0.373
   91    HE2  LYS  12           HE2      LYS  12  -9.762  12.454  -0.660
   92    HE3  LYS  12           HE1      LYS  12 -10.397  14.069  -0.375
   93    HZ1  LYS  12           HZ1      LYS  12  -8.936  13.154  -2.791
   94    HZ2  LYS  12           HZ2      LYS  12  -9.402  14.747  -2.508
   95    HZ3  LYS  12           HZ3      LYS  12 -10.569  13.550  -2.682
   96    H    GLU  13           HN       GLU  13  -4.616  12.359  -2.289
   97    HA   GLU  13           HA       GLU  13  -6.004  11.351  -4.602
   98    HB2  GLU  13           HB2      GLU  13  -4.067  13.652  -4.420
   99    HB3  GLU  13           HB1      GLU  13  -4.979  13.203  -5.859
  100    HG2  GLU  13           HG2      GLU  13  -7.070  13.495  -4.502
  101    HG3  GLU  13           HG1      GLU  13  -6.053  14.177  -3.238
  102    H    MET  14           HN       MET  14  -3.460  10.223  -3.047
  103    HA   MET  14           HA       MET  14  -1.870   9.546  -5.384
  104    HB2  MET  14           HB2      MET  14  -1.680   8.453  -2.564
  105    HB3  MET  14           HB1      MET  14  -0.609   8.008  -3.875
  106    HG2  MET  14           HG2      MET  14  -0.004  10.468  -3.975
  107    HG3  MET  14           HG1      MET  14  -0.813  10.608  -2.415
  108    HE1  MET  14           HE1      MET  14  -0.054   7.593  -1.290
  109    HE2  MET  14           HE2      MET  14  -0.035   9.039  -0.273
  110    HE3  MET  14           HE3      MET  14   1.375   7.982  -0.330
  111    H    ALA  15           HN       ALA  15  -1.469   7.178  -5.798
  112    HA   ALA  15           HA       ALA  15  -3.969   5.859  -6.288
  113    HB1  ALA  15           HB1      ALA  15  -2.538   3.989  -7.000
  114    HB2  ALA  15           HB2      ALA  15  -1.116   4.890  -6.454
  115    HB3  ALA  15           HB3      ALA  15  -2.096   5.507  -7.768
  116    H    LEU  16           HN       LEU  16  -4.897   4.189  -5.182
  117    HA   LEU  16           HA       LEU  16  -4.616   4.127  -2.458
  118    HB2  LEU  16           HB2      LEU  16  -5.652   1.936  -4.208
  119    HB3  LEU  16           HB1      LEU  16  -6.018   2.067  -2.492
  120    HG   LEU  16           HG       LEU  16  -6.928   3.903  -4.714
  121   HD11  LEU  16          HD11      LEU  16  -9.161   3.117  -4.181
  122   HD12  LEU  16          HD12      LEU  16  -8.492   2.009  -2.979
  123   HD13  LEU  16          HD13      LEU  16  -8.111   1.800  -4.687
  124   HD21  LEU  16          HD21      LEU  16  -7.490   4.065  -1.757
  125   HD22  LEU  16          HD22      LEU  16  -8.252   5.051  -3.004
  126   HD23  LEU  16          HD23      LEU  16  -6.523   5.202  -2.699
  127    H    VAL  17           HN       VAL  17  -2.917   2.172  -4.812
  128    HA   VAL  17           HA       VAL  17  -1.843   0.351  -2.954
  129    HB   VAL  17           HB       VAL  17  -1.942  -0.224  -5.316
  130   HG11  VAL  17          HG11      VAL  17  -0.484   0.818  -6.977
  131   HG12  VAL  17          HG12      VAL  17   0.024   2.001  -5.767
  132   HG13  VAL  17          HG13      VAL  17  -1.654   1.954  -6.305
  133   HG21  VAL  17          HG21      VAL  17  -0.191  -1.289  -3.987
  134   HG22  VAL  17          HG22      VAL  17   0.927   0.005  -4.413
  135   HG23  VAL  17          HG23      VAL  17   0.319  -1.082  -5.662
  136    H    GLU  18           HN       GLU  18  -0.829   3.647  -3.892
  137    HA   GLU  18           HA       GLU  18   1.868   3.436  -3.032
  138    HB2  GLU  18           HB2      GLU  18   0.007   5.788  -3.376
  139    HB3  GLU  18           HB1      GLU  18   1.748   5.900  -3.279
  140    HG2  GLU  18           HG2      GLU  18   0.292   4.384  -5.387
  141    HG3  GLU  18           HG1      GLU  18   0.735   6.090  -5.592
  142    H    ILE  19           HN       ILE  19  -1.276   4.404  -1.760
  143    HA   ILE  19           HA       ILE  19  -0.519   5.355   0.810
  144    HB   ILE  19           HB       ILE  19  -3.052   3.879  -0.024
  145   HG12  ILE  19          HG12      ILE  19  -2.481   6.867  -0.059
  146   HG13  ILE  19          HG11      ILE  19  -2.657   5.825  -1.456
  147   HG21  ILE  19          HG21      ILE  19  -2.837   3.969   2.385
  148   HG22  ILE  19          HG22      ILE  19  -4.135   5.042   1.861
  149   HG23  ILE  19          HG23      ILE  19  -2.573   5.711   2.326
  150   HD11  ILE  19          HD11      ILE  19  -4.658   7.139  -1.089
  151   HD12  ILE  19          HD12      ILE  19  -4.809   6.478   0.536
  152   HD13  ILE  19          HD13      ILE  19  -5.005   5.422  -0.859
  153    H    ALA  20           HN       ALA  20  -1.542   2.213  -0.415
  154    HA   ALA  20           HA       ALA  20  -1.480   0.769   1.923
  155    HB1  ALA  20           HB1      ALA  20  -0.821  -0.286  -0.814
  156    HB2  ALA  20           HB2      ALA  20  -2.449  -0.012  -0.207
  157    HB3  ALA  20           HB3      ALA  20  -1.410  -1.216   0.564
  158    H    HIS  21           HN       HIS  21   1.227   1.520  -0.232
  159    HA   HIS  21           HA       HIS  21   3.094  -0.252   0.875
  160    HB2  HIS  21           HB2      HIS  21   3.528   0.992  -1.213
  161    HB3  HIS  21           HB1      HIS  21   3.634   2.490  -0.295
  162    HD1  HIS  21           HD1      HIS  21   5.762   2.747   1.323
  163    HD2  HIS  21           HD2      HIS  21   5.849  -0.504  -1.279
  164    HE1  HIS  21           HE1      HIS  21   8.064   1.855   1.451
  165    HE2  HIS  21           HE2      HIS  21   8.180   0.255  -0.447
  166    H    GLU  22           HN       GLU  22   2.420   3.096   1.686
  167    HA   GLU  22           HA       GLU  22   4.409   3.249   3.707
  168    HB2  GLU  22           HB2      GLU  22   1.950   4.937   3.358
  169    HB3  GLU  22           HB1      GLU  22   3.396   5.368   4.268
  170    HG2  GLU  22           HG2      GLU  22   3.179   4.977   1.307
  171    HG3  GLU  22           HG1      GLU  22   3.275   6.492   2.221
  172    H    LEU  23           HN       LEU  23   1.095   2.386   3.579
  173    HA   LEU  23           HA       LEU  23   0.518   2.505   6.361
  174    HB2  LEU  23           HB2      LEU  23  -1.167   2.467   4.491
  175    HB3  LEU  23           HB1      LEU  23  -0.791   0.776   4.253
  176    HG   LEU  23           HG       LEU  23  -1.628   0.288   6.523
  177   HD11  LEU  23          HD11      LEU  23  -2.924   2.014   7.705
  178   HD12  LEU  23          HD12      LEU  23  -2.354   3.217   6.541
  179   HD13  LEU  23          HD13      LEU  23  -1.210   2.401   7.602
  180   HD21  LEU  23          HD21      LEU  23  -3.568   1.770   4.751
  181   HD22  LEU  23          HD22      LEU  23  -3.997   0.613   6.011
  182   HD23  LEU  23          HD23      LEU  23  -3.102   0.078   4.588
  183    H    PHE  24           HN       PHE  24   1.694   0.129   4.208
  184    HA   PHE  24           HA       PHE  24   1.866  -1.964   6.151
  185    HB2  PHE  24           HB2      PHE  24   2.879  -1.638   3.408
  186    HB3  PHE  24           HB1      PHE  24   3.677  -2.836   4.431
  187    HD1  PHE  24           HD2      PHE  24   2.224  -4.608   5.470
  188    HD2  PHE  24           HD1      PHE  24   0.924  -2.128   2.294
  189    HE1  PHE  24           HE2      PHE  24   0.492  -6.244   4.908
  190    HE2  PHE  24           HE1      PHE  24  -0.810  -3.757   1.718
  191    HZ   PHE  24           HZ       PHE  24  -1.032  -5.823   3.025
  192    H    GLU  25           HN       GLU  25   4.136   0.569   5.136
  193    HA   GLU  25           HA       GLU  25   6.371  -0.425   6.572
  194    HB2  GLU  25           HB2      GLU  25   6.260   1.454   4.770
  195    HB3  GLU  25           HB1      GLU  25   5.820   2.510   6.106
  196    HG2  GLU  25           HG2      GLU  25   8.420   0.976   5.895
  197    HG3  GLU  25           HG1      GLU  25   8.211   2.653   5.424
  198    H    GLU  26           HN       GLU  26   3.592   1.373   7.455
  199    HA   GLU  26           HA       GLU  26   4.594   1.942  10.088
  200    HB2  GLU  26           HB2      GLU  26   1.923   2.387   8.796
  201    HB3  GLU  26           HB1      GLU  26   2.172   2.658  10.517
  202    HG2  GLU  26           HG2      GLU  26   3.767   3.985   8.338
  203    HG3  GLU  26           HG1      GLU  26   2.376   4.707   9.149
  204    H    HIS  27           HN       HIS  27   2.379  -0.262   8.632
  205    HA   HIS  27           HA       HIS  27   1.590  -1.423  11.108
  206    HB2  HIS  27           HB2      HIS  27   1.182  -2.380   8.296
  207    HB3  HIS  27           HB1      HIS  27   0.636  -3.299   9.684
  208    HD1  HIS  27           HD1      HIS  27  -0.449  -0.770  11.325
  209    HD2  HIS  27           HD2      HIS  27  -1.284  -1.717   7.374
  210    HE1  HIS  27           HE1      HIS  27  -2.591   0.370  10.811
  211    HE2  HIS  27           HE2      HIS  27  -3.246  -0.628   8.603
  212    H    LYS  28           HN       LYS  28   3.874  -2.626   8.604
  213    HA   LYS  28           HA       LYS  28   5.480  -4.656   8.846
  214    HB2  LYS  28           HB2      LYS  28   5.468  -3.421  11.603
  215    HB3  LYS  28           HB1      LYS  28   6.625  -4.575  10.942
  216    HG2  LYS  28           HG2      LYS  28   7.290  -2.866   9.268
  217    HG3  LYS  28           HG1      LYS  28   6.234  -1.717  10.085
  218    HD2  LYS  28           HD2      LYS  28   7.537  -1.864  12.088
  219    HD3  LYS  28           HD1      LYS  28   8.523  -3.163  11.409
  220    HE2  LYS  28           HE2      LYS  28   9.768  -1.095  11.225
  221    HE3  LYS  28           HE1      LYS  28   9.226  -1.586   9.617
  222    HZ1  LYS  28           HZ1      LYS  28   8.858   0.699   9.830
  223    HZ2  LYS  28           HZ2      LYS  28   8.023   0.561  11.271
  224    HZ3  LYS  28           HZ3      LYS  28   7.377  -0.023   9.847
  225    H    LYS  29           HN       LYS  29   2.718  -4.981   9.006
  226    HA   LYS  29           HA       LYS  29   3.173  -7.763   9.657
  227    HB2  LYS  29           HB2      LYS  29   0.789  -7.819  10.588
  228    HB3  LYS  29           HB1      LYS  29   1.968  -6.996  11.590
  229    HG2  LYS  29           HG2      LYS  29  -0.027  -5.706  11.627
  230    HG3  LYS  29           HG1      LYS  29   1.166  -4.839  10.670
  231    HD2  LYS  29           HD2      LYS  29  -0.876  -4.642   9.423
  232    HD3  LYS  29           HD1      LYS  29   0.063  -5.885   8.626
  233    HE2  LYS  29           HE2      LYS  29  -2.301  -6.604   8.892
  234    HE3  LYS  29           HE1      LYS  29  -1.194  -7.645   9.766
  235    HZ1  LYS  29           HZ1      LYS  29  -2.845  -5.484  10.996
  236    HZ2  LYS  29           HZ2      LYS  29  -1.804  -6.521  11.818
  237    HZ3  LYS  29           HZ3      LYS  29  -3.147  -7.134  11.065
  238    HA   PRO  30           HA       PRO  30   1.092  -8.198   5.656
  239    HB2  PRO  30           HB2      PRO  30  -0.007 -10.782   6.329
  240    HB3  PRO  30           HB1      PRO  30   1.411 -10.392   5.375
  241    HG2  PRO  30           HG2      PRO  30   1.584 -11.637   7.793
  242    HG3  PRO  30           HG1      PRO  30   2.848 -10.595   7.133
  243    HD2  PRO  30           HD2      PRO  30   0.696  -9.911   9.104
  244    HD3  PRO  30           HD1      PRO  30   2.442  -9.566   9.179
  245    H    VAL  31           HN       VAL  31  -0.974  -7.656   4.760
  246    HA   VAL  31           HA       VAL  31  -3.155  -8.011   6.645
  247    HB   VAL  31           HB       VAL  31  -3.129  -5.842   4.539
  248   HG11  VAL  31          HG11      VAL  31  -4.801  -4.750   5.970
  249   HG12  VAL  31          HG12      VAL  31  -4.761  -6.202   6.991
  250   HG13  VAL  31          HG13      VAL  31  -5.280  -6.318   5.309
  251   HG21  VAL  31          HG21      VAL  31  -2.543  -4.176   6.134
  252   HG22  VAL  31          HG22      VAL  31  -1.243  -5.364   6.011
  253   HG23  VAL  31          HG23      VAL  31  -2.337  -5.373   7.409
  254    HA   PRO  32           HA       PRO  32  -5.236 -10.305   3.210
  255    HB2  PRO  32           HB2      PRO  32  -7.567  -9.240   4.710
  256    HB3  PRO  32           HB1      PRO  32  -7.263 -10.889   4.168
  257    HG2  PRO  32           HG2      PRO  32  -6.992 -10.329   6.710
  258    HG3  PRO  32           HG1      PRO  32  -5.730 -11.292   5.909
  259    HD2  PRO  32           HD2      PRO  32  -5.732  -8.386   6.626
  260    HD3  PRO  32           HD1      PRO  32  -4.446  -9.601   6.829
  261    H    PHE  33           HN       PHE  33  -6.468  -9.713   1.376
  262    HA   PHE  33           HA       PHE  33  -6.101  -7.213   0.373
  263    HB2  PHE  33           HB2      PHE  33  -6.458  -9.211  -0.978
  264    HB3  PHE  33           HB1      PHE  33  -8.122  -9.311  -0.429
  265    HD1  PHE  33           HD1      PHE  33  -5.758  -7.486  -2.549
  266    HD2  PHE  33           HD2      PHE  33  -9.827  -7.891  -1.369
  267    HE1  PHE  33           HE1      PHE  33  -6.449  -6.096  -4.450
  268    HE2  PHE  33           HE2      PHE  33 -10.527  -6.502  -3.268
  269    HZ   PHE  33           HZ       PHE  33  -8.845  -5.601  -4.814
  270    H    GLN  34           HN       GLN  34  -9.261  -8.587   1.463
  271    HA   GLN  34           HA       GLN  34 -10.624  -6.221   0.992
  272    HB2  GLN  34           HB2      GLN  34 -12.501  -7.268   2.089
  273    HB3  GLN  34           HB1      GLN  34 -11.669  -8.468   1.122
  274    HG2  GLN  34           HG2      GLN  34 -11.910  -9.746   2.955
  275    HG3  GLN  34           HG1      GLN  34 -10.486  -8.883   3.526
  276   HE21  GLN  34          HE21      GLN  34 -12.205  -6.374   3.887
  277   HE22  GLN  34          HE22      GLN  34 -13.057  -6.648   5.339
  278    H    GLU  35           HN       GLU  35  -8.725  -7.178   3.681
  279    HA   GLU  35           HA       GLU  35 -10.035  -5.322   5.472
  280    HB2  GLU  35           HB2      GLU  35  -7.570  -7.007   5.841
  281    HB3  GLU  35           HB1      GLU  35  -8.196  -5.915   7.064
  282    HG2  GLU  35           HG2      GLU  35 -10.352  -7.203   6.968
  283    HG3  GLU  35           HG1      GLU  35  -9.508  -8.370   5.943
  284    H    LEU  36           HN       LEU  36  -6.991  -5.574   3.728
  285    HA   LEU  36           HA       LEU  36  -5.862  -3.135   4.594
  286    HB2  LEU  36           HB2      LEU  36  -4.523  -4.740   3.456
  287    HB3  LEU  36           HB1      LEU  36  -5.548  -4.770   2.058
  288    HG   LEU  36           HG       LEU  36  -4.853  -2.346   1.687
  289   HD11  LEU  36          HD11      LEU  36  -4.029  -1.865   3.906
  290   HD12  LEU  36          HD12      LEU  36  -2.759  -1.633   2.706
  291   HD13  LEU  36          HD13      LEU  36  -2.759  -3.075   3.721
  292   HD21  LEU  36          HD21      LEU  36  -4.006  -4.160   0.328
  293   HD22  LEU  36          HD22      LEU  36  -2.783  -4.528   1.539
  294   HD23  LEU  36          HD23      LEU  36  -2.718  -2.999   0.654
  295    H    LEU  37           HN       LEU  37  -8.045  -4.032   1.955
  296    HA   LEU  37           HA       LEU  37  -8.275  -1.581   0.659
  297    HB2  LEU  37           HB2      LEU  37  -8.974  -3.739  -0.232
  298    HB3  LEU  37           HB1      LEU  37 -10.207  -3.860   0.996
  299    HG   LEU  37           HG       LEU  37 -11.363  -1.920  -0.025
  300   HD11  LEU  37          HD11      LEU  37  -9.258  -2.212  -2.172
  301   HD12  LEU  37          HD12      LEU  37  -9.449  -0.839  -1.080
  302   HD13  LEU  37          HD13      LEU  37 -10.699  -1.201  -2.268
  303   HD21  LEU  37          HD21      LEU  37 -10.805  -4.207  -1.908
  304   HD22  LEU  37          HD22      LEU  37 -12.249  -3.181  -1.891
  305   HD23  LEU  37          HD23      LEU  37 -11.916  -4.261  -0.547
  306    H    ASN  38           HN       ASN  38 -10.159  -3.021   3.279
  307    HA   ASN  38           HA       ASN  38 -12.059  -0.918   3.499
  308    HB2  ASN  38           HB2      ASN  38 -12.468  -3.226   4.285
  309    HB3  ASN  38           HB1      ASN  38 -11.251  -3.011   5.527
  310   HD21  ASN  38          HD21      ASN  38 -13.721  -0.571   4.621
  311   HD22  ASN  38          HD22      ASN  38 -14.541  -0.674   6.119
  312    H    GLU  39           HN       GLU  39  -8.899  -1.475   4.960
  313    HA   GLU  39           HA       GLU  39  -9.239   0.622   6.846
  314    HB2  GLU  39           HB2      GLU  39  -7.760  -1.339   7.242
  315    HB3  GLU  39           HB1      GLU  39  -6.698  -0.765   5.971
  316    HG2  GLU  39           HG2      GLU  39  -6.023   1.100   7.243
  317    HG3  GLU  39           HG1      GLU  39  -7.329   0.873   8.406
  318    H    ILE  40           HN       ILE  40  -7.754   0.350   3.657
  319    HA   ILE  40           HA       ILE  40  -6.741   2.952   3.597
  320    HB   ILE  40           HB       ILE  40  -7.718   1.246   1.268
  321   HG12  ILE  40          HG12      ILE  40  -4.913   1.766   2.282
  322   HG13  ILE  40          HG11      ILE  40  -5.846   0.309   2.599
  323   HG21  ILE  40          HG21      ILE  40  -7.680   3.599   0.601
  324   HG22  ILE  40          HG22      ILE  40  -6.377   2.709  -0.190
  325   HG23  ILE  40          HG23      ILE  40  -6.022   3.750   1.188
  326   HD11  ILE  40          HD11      ILE  40  -5.874  -0.177   0.197
  327   HD12  ILE  40          HD12      ILE  40  -4.240  -0.069   0.847
  328   HD13  ILE  40          HD13      ILE  40  -4.904   1.270  -0.092
  329    H    ALA  41           HN       ALA  41  -9.862   1.577   2.829
  330    HA   ALA  41           HA       ALA  41 -11.260   3.751   1.728
  331    HB1  ALA  41           HB1      ALA  41 -12.114   1.419   1.823
  332    HB2  ALA  41           HB2      ALA  41 -13.280   2.620   2.382
  333    HB3  ALA  41           HB3      ALA  41 -12.398   1.636   3.550
  334    H    SER  42           HN       SER  42 -10.897   2.803   4.916
  335    HA   SER  42           HA       SER  42 -12.309   5.024   5.987
  336    HB2  SER  42           HB2      SER  42 -11.330   4.173   8.242
  337    HB3  SER  42           HB1      SER  42 -12.501   3.178   7.379
  338    HG   SER  42           HG       SER  42 -10.935   1.821   6.762
  339    H    LEU  43           HN       LEU  43  -8.900   4.579   5.369
  340    HA   LEU  43           HA       LEU  43  -8.034   6.876   6.762
  341    HB2  LEU  43           HB2      LEU  43  -6.913   5.605   4.263
  342    HB3  LEU  43           HB1      LEU  43  -6.097   6.831   5.207
  343    HG   LEU  43           HG       LEU  43  -6.782   4.051   6.162
  344   HD11  LEU  43          HD11      LEU  43  -4.389   3.661   6.053
  345   HD12  LEU  43          HD12      LEU  43  -4.144   5.277   5.394
  346   HD13  LEU  43          HD13      LEU  43  -5.033   4.072   4.463
  347   HD21  LEU  43          HD21      LEU  43  -5.208   6.264   7.487
  348   HD22  LEU  43          HD22      LEU  43  -5.361   4.614   8.086
  349   HD23  LEU  43          HD23      LEU  43  -6.781   5.652   8.005
  350    H    LEU  44           HN       LEU  44  -9.708   6.455   3.794
  351    HA   LEU  44           HA       LEU  44  -9.172   9.197   2.946
  352    HB2  LEU  44           HB2      LEU  44 -10.790   7.058   1.598
  353    HB3  LEU  44           HB1      LEU  44 -10.354   8.606   0.909
  354    HG   LEU  44           HG       LEU  44  -8.490   6.335   1.566
  355   HD11  LEU  44          HD11      LEU  44  -9.382   7.510  -1.054
  356   HD12  LEU  44          HD12      LEU  44  -9.844   5.940  -0.394
  357   HD13  LEU  44          HD13      LEU  44  -8.169   6.247  -0.850
  358   HD21  LEU  44          HD21      LEU  44  -7.368   8.456   1.959
  359   HD22  LEU  44          HD22      LEU  44  -7.910   9.047   0.392
  360   HD23  LEU  44          HD23      LEU  44  -6.757   7.713   0.478
  361    H    GLY  45           HN       GLY  45 -11.387   7.604   4.879
  362    HA2  GLY  45           HA2      GLY  45 -13.397   8.220   5.767
  363    HA3  GLY  45           HA1      GLY  45 -13.219   9.771   4.952
  364    H    VAL  46           HN       VAL  46 -13.199   6.629   3.313
  365    HA   VAL  46           HA       VAL  46 -15.752   7.378   2.097
  366    HB   VAL  46           HB       VAL  46 -15.035   6.546  -0.063
  367   HG11  VAL  46          HG11      VAL  46 -14.609   8.876   0.310
  368   HG12  VAL  46          HG12      VAL  46 -13.330   8.190  -0.693
  369   HG13  VAL  46          HG13      VAL  46 -13.035   8.508   1.016
  370   HG21  VAL  46          HG21      VAL  46 -12.663   5.900  -0.499
  371   HG22  VAL  46          HG22      VAL  46 -13.535   4.781   0.544
  372   HG23  VAL  46          HG23      VAL  46 -12.388   5.913   1.248
  373    H    LYS  47           HN       LYS  47 -16.754   5.479   1.004
  374    HA   LYS  47           HA       LYS  47 -16.508   3.054   2.664
  375    HB2  LYS  47           HB2      LYS  47 -18.477   3.894   0.566
  376    HB3  LYS  47           HB1      LYS  47 -18.580   2.409   1.503
  377    HG2  LYS  47           HG2      LYS  47 -19.189   3.578   3.438
  378    HG3  LYS  47           HG1      LYS  47 -18.628   5.123   2.784
  379    HD2  LYS  47           HD2      LYS  47 -21.085   4.948   2.753
  380    HD3  LYS  47           HD1      LYS  47 -20.410   5.114   1.137
  381    HE2  LYS  47           HE2      LYS  47 -20.575   2.603   0.931
  382    HE3  LYS  47           HE1      LYS  47 -21.474   2.612   2.446
  383    HZ1  LYS  47           HZ1      LYS  47 -23.006   2.603   0.650
  384    HZ2  LYS  47           HZ2      LYS  47 -22.240   3.885  -0.123
  385    HZ3  LYS  47           HZ3      LYS  47 -23.080   4.158   1.307
  386    H    LYS  48           HN       LYS  48 -15.984   1.086   1.683
  387    HA   LYS  48           HA       LYS  48 -14.395   1.321  -0.581
  388    HB2  LYS  48           HB2      LYS  48 -14.247  -1.196  -0.571
  389    HB3  LYS  48           HB1      LYS  48 -13.826  -0.414   0.943
  390    HG2  LYS  48           HG2      LYS  48 -15.995  -0.969   1.862
  391    HG3  LYS  48           HG1      LYS  48 -16.484  -1.693   0.335
  392    HD2  LYS  48           HD2      LYS  48 -14.119  -2.640   1.941
  393    HD3  LYS  48           HD1      LYS  48 -15.738  -3.307   2.138
  394    HE2  LYS  48           HE2      LYS  48 -14.179  -3.286  -0.463
  395    HE3  LYS  48           HE1      LYS  48 -14.284  -4.659   0.631
  396    HZ1  LYS  48           HZ1      LYS  48 -15.836  -4.736  -1.271
  397    HZ2  LYS  48           HZ2      LYS  48 -16.697  -3.428  -0.652
  398    HZ3  LYS  48           HZ3      LYS  48 -16.598  -4.860   0.209
  399    H    GLU  49           HN       GLU  49 -17.714   0.720  -0.189
  400    HA   GLU  49           HA       GLU  49 -18.345  -0.607  -2.605
  401    HB2  GLU  49           HB2      GLU  49 -20.109   1.063  -0.823
  402    HB3  GLU  49           HB1      GLU  49 -20.656  -0.068  -2.048
  403    HG2  GLU  49           HG2      GLU  49 -19.170  -0.722   0.484
  404    HG3  GLU  49           HG1      GLU  49 -20.857  -1.074   0.124
  405    H    GLU  50           HN       GLU  50 -17.757   2.722  -1.777
  406    HA   GLU  50           HA       GLU  50 -19.182   3.812  -4.024
  407    HB2  GLU  50           HB2      GLU  50 -17.245   5.101  -2.108
  408    HB3  GLU  50           HB1      GLU  50 -18.368   5.923  -3.180
  409    HG2  GLU  50           HG2      GLU  50 -19.264   4.033  -1.075
  410    HG3  GLU  50           HG1      GLU  50 -19.038   5.755  -0.719
  411    H    LEU  51           HN       LEU  51 -16.157   2.485  -3.373
  412    HA   LEU  51           HA       LEU  51 -14.610   4.000  -5.224
  413    HB2  LEU  51           HB2      LEU  51 -14.096   1.270  -4.042
  414    HB3  LEU  51           HB1      LEU  51 -12.929   2.170  -4.984
  415    HG   LEU  51           HG       LEU  51 -14.043   3.009  -2.300
  416   HD11  LEU  51          HD11      LEU  51 -12.523   1.123  -2.120
  417   HD12  LEU  51          HD12      LEU  51 -11.783   2.588  -1.477
  418   HD13  LEU  51          HD13      LEU  51 -11.316   1.990  -3.069
  419   HD21  LEU  51          HD21      LEU  51 -11.938   4.292  -4.045
  420   HD22  LEU  51          HD22      LEU  51 -12.321   4.770  -2.394
  421   HD23  LEU  51          HD23      LEU  51 -13.528   4.959  -3.664
  422    H    GLY  52           HN       GLY  52 -16.300   0.825  -5.416
  423    HA2  GLY  52           HA2      GLY  52 -17.399  -0.074  -7.170
  424    HA3  GLY  52           HA1      GLY  52 -17.319   1.493  -7.953
  425    H    ASP  53           HN       ASP  53 -16.466   1.257  -9.925
  426    HA   ASP  53           HA       ASP  53 -14.868  -0.491 -11.039
  427    HB2  ASP  53           HB2      ASP  53 -14.792   2.489 -11.392
  428    HB3  ASP  53           HB1      ASP  53 -13.906   1.380 -12.428
  429    H    ARG  54           HN       ARG  54 -13.732   1.673  -8.564
  430    HA   ARG  54           HA       ARG  54 -11.010   1.510  -9.422
  431    HB2  ARG  54           HB2      ARG  54 -11.787   3.595  -8.305
  432    HB3  ARG  54           HB1      ARG  54 -12.135   2.675  -6.855
  433    HG2  ARG  54           HG2      ARG  54 -10.025   3.988  -6.746
  434    HG3  ARG  54           HG1      ARG  54  -9.792   2.260  -6.491
  435    HD2  ARG  54           HD2      ARG  54  -9.004   1.987  -8.771
  436    HD3  ARG  54           HD1      ARG  54  -9.359   3.674  -9.129
  437    HE   ARG  54           HE       ARG  54  -7.622   4.256  -7.522
  438   HH11  ARG  54          HH11      ARG  54  -7.466   0.926  -8.781
  439   HH12  ARG  54          HH12      ARG  54  -5.749   0.889  -8.738
  440   HH21  ARG  54          HH21      ARG  54  -5.271   4.101  -7.514
  441   HH22  ARG  54          HH22      ARG  54  -4.519   2.619  -8.007
  442    H    ILE  55           HN       ILE  55 -13.126  -0.421  -7.698
  443    HA   ILE  55           HA       ILE  55 -11.252  -1.673  -5.911
  444    HB   ILE  55           HB       ILE  55 -13.950  -2.639  -6.902
  445   HG12  ILE  55          HG12      ILE  55 -14.124  -0.611  -5.562
  446   HG13  ILE  55          HG11      ILE  55 -14.774  -1.987  -4.678
  447   HG21  ILE  55          HG21      ILE  55 -12.271  -3.778  -4.664
  448   HG22  ILE  55          HG22      ILE  55 -12.629  -4.555  -6.205
  449   HG23  ILE  55          HG23      ILE  55 -13.925  -4.256  -5.049
  450   HD11  ILE  55          HD11      ILE  55 -12.118  -0.645  -4.244
  451   HD12  ILE  55          HD12      ILE  55 -12.629  -2.134  -3.470
  452   HD13  ILE  55          HD13      ILE  55 -13.520  -0.643  -3.162
  453    H    ALA  56           HN       ALA  56 -12.756  -2.601  -8.946
  454    HA   ALA  56           HA       ALA  56 -11.321  -4.987  -9.359
  455    HB1  ALA  56           HB1      ALA  56 -12.545  -3.108 -11.381
  456    HB2  ALA  56           HB2      ALA  56 -13.377  -4.439 -10.577
  457    HB3  ALA  56           HB3      ALA  56 -12.049  -4.770 -11.692
  458    H    GLN  57           HN       GLN  57 -10.765  -1.659 -10.318
  459    HA   GLN  57           HA       GLN  57  -8.369  -2.152 -11.704
  460    HB2  GLN  57           HB2      GLN  57  -9.400   0.328 -10.357
  461    HB3  GLN  57           HB1      GLN  57  -7.923   0.283 -11.305
  462    HG2  GLN  57           HG2      GLN  57 -10.662  -0.428 -12.334
  463    HG3  GLN  57           HG1      GLN  57  -9.860   1.123 -12.564
  464   HE21  GLN  57          HE21      GLN  57  -7.226   0.003 -13.012
  465   HE22  GLN  57          HE22      GLN  57  -7.258  -0.745 -14.553
  466    H    PHE  58           HN       PHE  58  -8.989  -1.206  -8.325
  467    HA   PHE  58           HA       PHE  58  -6.360  -1.043  -7.424
  468    HB2  PHE  58           HB2      PHE  58  -8.170  -0.396  -5.932
  469    HB3  PHE  58           HB1      PHE  58  -8.800  -2.033  -5.898
  470    HD1  PHE  58           HD2      PHE  58  -7.525  -3.809  -4.686
  471    HD2  PHE  58           HD1      PHE  58  -6.409   0.256  -4.542
  472    HE1  PHE  58           HE2      PHE  58  -6.121  -4.315  -2.783
  473    HE2  PHE  58           HE1      PHE  58  -4.978  -0.201  -2.568
  474    HZ   PHE  58           HZ       PHE  58  -4.839  -2.489  -1.671
  475    H    TYR  59           HN       TYR  59  -8.422  -3.828  -7.681
  476    HA   TYR  59           HA       TYR  59  -6.716  -5.752  -6.579
  477    HB2  TYR  59           HB2      TYR  59  -9.111  -6.154  -7.209
  478    HB3  TYR  59           HB1      TYR  59  -8.609  -6.173  -8.892
  479    HD1  TYR  59           HD2      TYR  59  -7.926  -7.878  -5.662
  480    HD2  TYR  59           HD1      TYR  59  -8.080  -8.189  -9.892
  481    HE1  TYR  59           HE2      TYR  59  -7.521 -10.286  -5.484
  482    HE2  TYR  59           HE1      TYR  59  -7.670 -10.601  -9.733
  483    HH   TYR  59           HH       TYR  59  -6.827 -12.193  -8.275
  484    H    THR  60           HN       THR  60  -7.039  -4.784 -10.006
  485    HA   THR  60           HA       THR  60  -4.904  -6.293 -10.937
  486    HB   THR  60           HB       THR  60  -5.930  -3.626 -11.935
  487    HG1  THR  60           HG1      THR  60  -7.352  -4.842 -13.123
  488   HG21  THR  60          HG21      THR  60  -4.517  -5.870 -13.405
  489   HG22  THR  60          HG22      THR  60  -3.804  -4.312 -12.980
  490   HG23  THR  60          HG23      THR  60  -5.145  -4.384 -14.124
  491    H    ASP  61           HN       ASP  61  -5.036  -2.833 -10.024
  492    HA   ASP  61           HA       ASP  61  -2.514  -1.940 -10.445
  493    HB2  ASP  61           HB2      ASP  61  -4.596  -0.675  -9.840
  494    HB3  ASP  61           HB1      ASP  61  -4.367  -1.187  -8.182
  495    H    LEU  62           HN       LEU  62  -3.754  -3.091  -7.313
  496    HA   LEU  62           HA       LEU  62  -1.262  -2.989  -5.875
  497    HB2  LEU  62           HB2      LEU  62  -3.425  -3.046  -4.732
  498    HB3  LEU  62           HB1      LEU  62  -3.738  -4.646  -5.384
  499    HG   LEU  62           HG       LEU  62  -1.635  -5.370  -4.133
  500   HD11  LEU  62          HD11      LEU  62  -1.044  -4.030  -2.181
  501   HD12  LEU  62          HD12      LEU  62  -2.053  -2.719  -2.806
  502   HD13  LEU  62          HD13      LEU  62  -0.647  -3.274  -3.718
  503   HD21  LEU  62          HD21      LEU  62  -3.876  -5.985  -3.393
  504   HD22  LEU  62          HD22      LEU  62  -4.009  -4.459  -2.517
  505   HD23  LEU  62          HD23      LEU  62  -2.819  -5.660  -2.020
  506    H    ASN  63           HN       ASN  63  -2.922  -5.601  -7.545
  507    HA   ASN  63           HA       ASN  63  -1.128  -7.540  -6.594
  508    HB2  ASN  63           HB2      ASN  63  -3.124  -7.621  -8.840
  509    HB3  ASN  63           HB1      ASN  63  -2.065  -8.974  -8.508
  510   HD21  ASN  63          HD21      ASN  63  -3.757  -6.894  -5.991
  511   HD22  ASN  63          HD22      ASN  63  -4.685  -8.216  -5.425
  512    H    ILE  64           HN       ILE  64  -1.051  -5.489  -9.431
  513    HA   ILE  64           HA       ILE  64   1.279  -7.018 -10.356
  514    HB   ILE  64           HB       ILE  64   1.125  -5.888 -12.500
  515   HG12  ILE  64          HG12      ILE  64  -1.287  -4.446 -11.354
  516   HG13  ILE  64          HG11      ILE  64   0.269  -3.706 -11.699
  517   HG21  ILE  64          HG21      ILE  64  -0.132  -7.928 -12.216
  518   HG22  ILE  64          HG22      ILE  64  -1.019  -6.818 -13.265
  519   HG23  ILE  64          HG23      ILE  64  -1.508  -7.024 -11.584
  520   HD11  ILE  64          HD11      ILE  64  -1.598  -4.923 -13.721
  521   HD12  ILE  64          HD12      ILE  64  -0.040  -4.176 -14.074
  522   HD13  ILE  64          HD13      ILE  64  -1.360  -3.201 -13.423
  523    H    ASP  65           HN       ASP  65   0.774  -4.367  -8.451
  524    HA   ASP  65           HA       ASP  65   2.374  -2.349  -9.311
  525    HB2  ASP  65           HB2      ASP  65   1.147  -2.079  -7.266
  526    HB3  ASP  65           HB1      ASP  65   2.135  -3.291  -6.450
  527    H    GLY  66           HN       GLY  66   3.697  -4.725  -7.022
  528    HA2  GLY  66           HA2      GLY  66   5.857  -5.735  -8.018
  529    HA3  GLY  66           HA1      GLY  66   6.257  -4.025  -8.206
  530    H    ARG  67           HN       ARG  67   5.161  -3.115  -5.704
  531    HA   ARG  67           HA       ARG  67   7.546  -3.877  -4.264
  532    HB2  ARG  67           HB2      ARG  67   5.471  -1.834  -3.451
  533    HB3  ARG  67           HB1      ARG  67   6.975  -2.122  -2.612
  534    HG2  ARG  67           HG2      ARG  67   6.560  -0.888  -5.326
  535    HG3  ARG  67           HG1      ARG  67   7.156  -0.123  -3.868
  536    HD2  ARG  67           HD2      ARG  67   9.181  -0.454  -4.806
  537    HD3  ARG  67           HD1      ARG  67   8.996  -2.095  -4.189
  538    HE   ARG  67           HE       ARG  67   7.765  -1.958  -6.673
  539   HH11  ARG  67          HH11      ARG  67  11.076  -1.689  -5.394
  540   HH12  ARG  67          HH12      ARG  67  11.790  -2.330  -6.813
  541   HH21  ARG  67          HH21      ARG  67   8.813  -2.756  -8.642
  542   HH22  ARG  67          HH22      ARG  67  10.490  -2.938  -8.670
  543    H    PHE  68           HN       PHE  68   4.773  -5.446  -4.357
  544    HA   PHE  68           HA       PHE  68   4.471  -5.932  -1.431
  545    HB2  PHE  68           HB2      PHE  68   2.368  -5.677  -3.567
  546    HB3  PHE  68           HB1      PHE  68   2.085  -6.358  -1.972
  547    HD1  PHE  68           HD1      PHE  68   3.955  -3.308  -3.105
  548    HD2  PHE  68           HD2      PHE  68   0.790  -4.932  -0.780
  549    HE1  PHE  68           HE1      PHE  68   3.404  -1.059  -2.287
  550    HE2  PHE  68           HE2      PHE  68   0.263  -2.692   0.061
  551    HZ   PHE  68           HZ       PHE  68   1.564  -0.761  -0.690
  552    H    LEU  69           HN       LEU  69   4.473  -8.009  -0.813
  553    HA   LEU  69           HA       LEU  69   4.391 -10.067  -2.910
  554    HB2  LEU  69           HB2      LEU  69   5.494 -10.216  -0.091
  555    HB3  LEU  69           HB1      LEU  69   5.299 -11.600  -1.129
  556    HG   LEU  69           HG       LEU  69   7.562 -11.078  -1.100
  557   HD11  LEU  69          HD11      LEU  69   8.106 -10.498  -3.413
  558   HD12  LEU  69          HD12      LEU  69   6.413 -10.065  -3.667
  559   HD13  LEU  69          HD13      LEU  69   6.846 -11.718  -3.251
  560   HD21  LEU  69          HD21      LEU  69   6.853  -8.226  -1.727
  561   HD22  LEU  69          HD22      LEU  69   8.490  -8.882  -1.676
  562   HD23  LEU  69          HD23      LEU  69   7.506  -8.849  -0.211
  563    H    ALA  70           HN       ALA  70   2.704 -11.471  -2.855
  564    HA   ALA  70           HA       ALA  70   0.834 -11.304  -0.559
  565    HB1  ALA  70           HB1      ALA  70  -0.681 -12.647  -1.956
  566    HB2  ALA  70           HB2      ALA  70   0.571 -12.816  -3.188
  567    HB3  ALA  70           HB3      ALA  70  -0.174 -11.244  -2.895
  568    H    LEU  71           HN       LEU  71   0.663 -12.616   0.847
  569    HA   LEU  71           HA       LEU  71   2.972 -14.349   1.020
  570    HB2  LEU  71           HB2      LEU  71   0.926 -13.881   3.172
  571    HB3  LEU  71           HB1      LEU  71   2.386 -14.826   3.362
  572    HG   LEU  71           HG       LEU  71   2.129 -11.853   3.005
  573   HD11  LEU  71          HD11      LEU  71   3.385 -11.811   5.088
  574   HD12  LEU  71          HD12      LEU  71   3.378 -13.574   5.120
  575   HD13  LEU  71          HD13      LEU  71   1.861 -12.680   5.240
  576   HD21  LEU  71          HD21      LEU  71   3.967 -12.545   1.568
  577   HD22  LEU  71          HD22      LEU  71   4.660 -13.491   2.891
  578   HD23  LEU  71          HD23      LEU  71   4.569 -11.732   3.014
  579    H    SER  72           HN       SER  72  -0.174 -15.385   2.300
  580    HA   SER  72           HA       SER  72   0.621 -17.905   1.096
  581    HB2  SER  72           HB2      SER  72   0.227 -17.891   3.566
  582    HB3  SER  72           HB1      SER  72  -1.454 -17.483   3.277
  583    HG   SER  72           HG       SER  72  -1.831 -19.484   2.912
  584    H    ASP  73           HN       ASP  73  -2.553 -16.153   1.623
  585    HA   ASP  73           HA       ASP  73  -2.926 -16.612  -1.211
  586    HB2  ASP  73           HB2      ASP  73  -5.051 -17.766  -1.049
  587    HB3  ASP  73           HB1      ASP  73  -3.835 -18.679  -0.177
  588    H    GLN  74           HN       GLN  74  -4.178 -15.288   1.751
  589    HA   GLN  74           HA       GLN  74  -5.763 -13.499   0.102
  590    HB2  GLN  74           HB2      GLN  74  -7.054 -13.041   2.166
  591    HB3  GLN  74           HB1      GLN  74  -7.120 -14.707   1.603
  592    HG2  GLN  74           HG2      GLN  74  -5.493 -15.338   3.239
  593    HG3  GLN  74           HG1      GLN  74  -5.388 -13.672   3.831
  594   HE21  GLN  74          HE21      GLN  74  -7.186 -12.850   4.967
  595   HE22  GLN  74          HE22      GLN  74  -8.305 -13.968   5.637
  596    H    THR  75           HN       THR  75  -3.311 -13.440   2.652
  597    HA   THR  75           HA       THR  75  -3.346 -10.690   3.196
  598    HB   THR  75           HB       THR  75  -1.169 -11.489   4.292
  599    HG1  THR  75           HG1      THR  75  -1.052 -13.749   4.486
  600   HG21  THR  75          HG21      THR  75  -3.801 -12.772   5.079
  601   HG22  THR  75          HG22      THR  75  -3.294 -11.141   5.518
  602   HG23  THR  75          HG23      THR  75  -2.411 -12.535   6.137
  603    H    TRP  76           HN       TRP  76  -1.848  -9.254   2.620
  604    HA   TRP  76           HA       TRP  76   0.174  -9.799   0.582
  605    HB2  TRP  76           HB2      TRP  76  -1.561  -7.414   1.212
  606    HB3  TRP  76           HB1      TRP  76  -0.130  -7.322   0.184
  607    HD1  TRP  76           HD1      TRP  76  -3.711  -8.756   0.220
  608    HE1  TRP  76           HE1      TRP  76  -4.312  -9.466  -2.191
  609    HE3  TRP  76           HE3      TRP  76   0.829  -8.010  -1.988
  610    HZ2  TRP  76           HZ2      TRP  76  -3.005  -9.674  -4.675
  611    HZ3  TRP  76           HZ3      TRP  76   1.064  -8.465  -4.388
  612    HH2  TRP  76           HH2      TRP  76  -0.810  -9.295  -5.694
  613    H    GLY  77           HN       GLY  77   2.200  -8.855   1.116
  614    HA2  GLY  77           HA2      GLY  77   2.352  -7.397   3.653
  615    HA3  GLY  77           HA1      GLY  77   3.368  -8.814   3.409
  616    H    LEU  78           HN       LEU  78   4.017  -5.974   3.826
  617    HA   LEU  78           HA       LEU  78   5.087  -4.943   1.403
  618    HB2  LEU  78           HB2      LEU  78   5.243  -4.190   4.144
  619    HB3  LEU  78           HB1      LEU  78   6.855  -4.178   3.478
  620    HG   LEU  78           HG       LEU  78   4.497  -2.517   2.662
  621   HD11  LEU  78          HD11      LEU  78   7.277  -1.820   3.542
  622   HD12  LEU  78          HD12      LEU  78   5.796  -1.671   4.489
  623   HD13  LEU  78          HD13      LEU  78   6.033  -0.669   3.057
  624   HD21  LEU  78          HD21      LEU  78   7.081  -2.809   1.140
  625   HD22  LEU  78          HD22      LEU  78   5.858  -1.555   0.915
  626   HD23  LEU  78          HD23      LEU  78   5.453  -3.221   0.560
  627    H    ARG  79           HN       ARG  79   7.272  -4.718   0.755
  628    HA   ARG  79           HA       ARG  79   8.835  -7.098   0.643
  629    HB2  ARG  79           HB2      ARG  79   9.081  -4.312  -0.352
  630    HB3  ARG  79           HB1      ARG  79  10.479  -5.365  -0.377
  631    HG2  ARG  79           HG2      ARG  79   9.367  -6.893  -1.821
  632    HG3  ARG  79           HG1      ARG  79   7.855  -5.980  -1.685
  633    HD2  ARG  79           HD2      ARG  79   8.637  -4.226  -2.816
  634    HD3  ARG  79           HD1      ARG  79  10.364  -4.648  -2.643
  635    HE   ARG  79           HE       ARG  79   8.498  -6.286  -4.227
  636   HH11  ARG  79          HH11      ARG  79  11.423  -4.255  -4.161
  637   HH12  ARG  79          HH12      ARG  79  11.892  -4.695  -5.743
  638   HH21  ARG  79          HH21      ARG  79   9.175  -6.829  -6.394
  639   HH22  ARG  79          HH22      ARG  79  10.603  -6.179  -7.037
  640    H    SER  80           HN       SER  80   8.690  -4.680   3.024
  641    HA   SER  80           HA       SER  80  11.411  -4.040   3.194
  642    HB2  SER  80           HB2      SER  80  10.583  -2.798   5.192
  643    HB3  SER  80           HB1      SER  80   9.821  -2.404   3.648
  644    HG   SER  80           HG       SER  80   8.769  -3.268   5.902
  645    H    TRP  81           HN       TRP  81   9.555  -6.544   4.654
  646    HA   TRP  81           HA       TRP  81  11.307  -6.763   7.003
  647    HB2  TRP  81           HB2      TRP  81   9.100  -8.701   6.323
  648    HB3  TRP  81           HB1      TRP  81   9.694  -8.212   7.908
  649    HD1  TRP  81           HD1      TRP  81   9.379  -5.158   7.874
  650    HE1  TRP  81           HE1      TRP  81   7.137  -4.012   7.623
  651    HE3  TRP  81           HE3      TRP  81   6.758  -9.067   5.888
  652    HZ2  TRP  81           HZ2      TRP  81   4.513  -4.706   6.723
  653    HZ3  TRP  81           HZ3      TRP  81   4.393  -8.745   5.385
  654    HH2  TRP  81           HH2      TRP  81   3.294  -6.617   5.793
  655    H    TYR  82           HN       TYR  82  12.137  -7.273   4.234
  656    HA   TYR  82           HA       TYR  82  13.510  -9.754   4.487
  657    HB2  TYR  82           HB2      TYR  82  11.280 -10.471   3.672
  658    HB3  TYR  82           HB1      TYR  82  11.316  -9.237   2.435
  659    HD1  TYR  82           HD2      TYR  82  12.652 -12.526   3.457
  660    HD2  TYR  82           HD1      TYR  82  12.430  -9.599   0.407
  661    HE1  TYR  82           HE2      TYR  82  13.522 -14.158   1.826
  662    HE2  TYR  82           HE1      TYR  82  13.260 -11.145  -1.214
  663    HH   TYR  82           HH       TYR  82  13.441 -14.497  -0.609
  664    HA   PRO  83           HA       PRO  83  16.310  -7.050   2.191
  665    HB2  PRO  83           HB2      PRO  83  17.276  -8.904   0.324
  666    HB3  PRO  83           HB1      PRO  83  17.965  -8.553   1.910
  667    HG2  PRO  83           HG2      PRO  83  16.156 -10.774   1.076
  668    HG3  PRO  83           HG1      PRO  83  17.481 -10.784   2.254
  669    HD2  PRO  83           HD2      PRO  83  14.922 -10.758   3.010
  670    HD3  PRO  83           HD1      PRO  83  16.160  -9.864   3.919
  671    H    TYR  84           HN       TYR  84  15.750  -5.676   0.578
  672    HA   TYR  84           HA       TYR  84  15.094  -6.439  -1.978
  673    HB2  TYR  84           HB2      TYR  84  12.782  -6.019  -0.181
  674    HB3  TYR  84           HB1      TYR  84  12.663  -5.068  -1.642
  675    HD1  TYR  84           HD1      TYR  84  13.616  -6.692  -3.761
  676    HD2  TYR  84           HD2      TYR  84  11.472  -7.935  -0.305
  677    HE1  TYR  84           HE1      TYR  84  12.804  -8.667  -4.971
  678    HE2  TYR  84           HE2      TYR  84  10.660  -9.900  -1.511
  679    HH   TYR  84           HH       TYR  84  12.023 -10.952  -4.355
  680    H    ASP  85           HN       ASP  85  13.614  -4.018  -2.629
  681    HA   ASP  85           HA       ASP  85  15.781  -2.407  -2.837
  682    HB2  ASP  85           HB2      ASP  85  14.111  -0.721  -3.861
  683    HB3  ASP  85           HB1      ASP  85  14.233  -2.303  -4.615
  684    H    GLN  86           HN       GLN  86  13.871  -2.772  -0.151
  685    HA   GLN  86           HA       GLN  86  15.297  -0.773   1.191
  686    HB2  GLN  86           HB2      GLN  86  13.641   0.689   1.986
  687    HB3  GLN  86           HB1      GLN  86  13.315   0.556   0.280
  688    HG2  GLN  86           HG2      GLN  86  11.743  -0.747   2.523
  689    HG3  GLN  86           HG1      GLN  86  11.276   0.660   1.606
  690   HE21  GLN  86          HE21      GLN  86  12.350  -0.807  -0.841
  691   HE22  GLN  86          HE22      GLN  86  11.058  -1.818  -1.301
  692    H    LEU  87           HN       LEU  87  14.703  -0.756   3.487
  693    HA   LEU  87           HA       LEU  87  13.542  -3.272   4.321
  694    HB2  LEU  87           HB2      LEU  87  16.276  -2.370   5.285
  695    HB3  LEU  87           HB1      LEU  87  15.343  -3.622   6.062
  696    HG   LEU  87           HG       LEU  87  15.472  -4.827   3.760
  697   HD11  LEU  87          HD11      LEU  87  16.356  -3.011   2.440
  698   HD12  LEU  87          HD12      LEU  87  17.479  -4.369   2.459
  699   HD13  LEU  87          HD13      LEU  87  17.799  -2.948   3.453
  700   HD21  LEU  87          HD21      LEU  87  17.890  -4.539   5.524
  701   HD22  LEU  87          HD22      LEU  87  17.616  -5.850   4.377
  702   HD23  LEU  87          HD23      LEU  87  16.543  -5.651   5.765
  703    H    ASP  88           HN       ASP  88  11.913  -1.694   4.596
  704    HA   ASP  88           HA       ASP  88  10.436  -0.490   5.942
  705    HB2  ASP  88           HB2      ASP  88  12.305  -1.351   8.179
  706    HB3  ASP  88           HB1      ASP  88  10.771  -0.531   8.411
  707    H    GLU  89           HN       GLU  89  12.803   0.574   4.728
  708    HA   GLU  89           HA       GLU  89  13.116   2.898   6.456
  709    HB2  GLU  89           HB2      GLU  89  15.128   1.533   5.939
  710    HB3  GLU  89           HB1      GLU  89  14.931   1.999   4.251
  711    HG2  GLU  89           HG2      GLU  89  16.626   3.339   5.477
  712    HG3  GLU  89           HG1      GLU  89  15.320   4.308   4.792
  713    H    GLU  90           HN       GLU  90  13.056   4.913   5.684
  714    HA   GLU  90           HA       GLU  90  11.130   5.371   3.582
  715    HB2  GLU  90           HB2      GLU  90  11.094   7.662   4.501
  716    HB3  GLU  90           HB1      GLU  90  10.814   6.438   5.727
  717    HG2  GLU  90           HG2      GLU  90  13.209   6.644   6.384
  718    HG3  GLU  90           HG1      GLU  90  13.351   7.981   5.246
  719    H    THR  91           HN       THR  91  14.116   4.857   3.398
  720    HA   THR  91           HA       THR  91  15.426   6.862   1.919
  721    HB   THR  91           HB       THR  91  15.646   3.862   1.620
  722    HG1  THR  91           HG1      THR  91  16.660   5.776   3.368
  723   HG21  THR  91          HG21      THR  91  17.901   4.269   0.780
  724   HG22  THR  91          HG22      THR  91  17.634   6.016   0.846
  725   HG23  THR  91          HG23      THR  91  16.702   5.012  -0.277
  726    H    GLN  92           HN       GLN  92  12.822   4.835   1.012
  727    HA   GLN  92           HA       GLN  92  13.268   5.648  -1.690
  728    HB2  GLN  92           HB2      GLN  92  11.781   3.699  -2.463
  729    HB3  GLN  92           HB1      GLN  92  13.410   3.364  -1.942
  730    HG2  GLN  92           HG2      GLN  92  12.029   1.624  -1.158
  731    HG3  GLN  92           HG1      GLN  92  12.452   2.601   0.239
  732   HE21  GLN  92          HE21      GLN  92  10.855   3.513   1.397
  733   HE22  GLN  92          HE22      GLN  92   9.171   3.332   1.082
  734    H    LEU  93           HN       LEU  93  10.281   5.029   0.241
  735    HA   LEU  93           HA       LEU  93   8.780   6.473   0.879
  736    HB2  LEU  93           HB2      LEU  93   9.887   8.378  -1.199
  737    HB3  LEU  93           HB1      LEU  93   8.511   8.734  -0.169
  738    HG   LEU  93           HG       LEU  93  11.257   8.124   0.912
  739   HD11  LEU  93          HD11      LEU  93  10.000  10.796   0.351
  740   HD12  LEU  93          HD12      LEU  93  11.394  10.058  -0.464
  741   HD13  LEU  93          HD13      LEU  93  11.506  10.498   1.238
  742   HD21  LEU  93          HD21      LEU  93   9.432   7.779   2.488
  743   HD22  LEU  93          HD22      LEU  93   8.812   9.392   2.141
  744   HD23  LEU  93          HD23      LEU  93  10.377   9.200   2.932
  745    H    GLU  94           HN       GLU  94   7.244   5.244   0.453
  746    HA   GLU  94           HA       GLU  94   5.997   3.734  -0.643
  747    HB2  GLU  94           HB2      GLU  94   4.075   4.828  -1.176
  748    HB3  GLU  94           HB1      GLU  94   4.963   6.327  -1.041
  749    HG2  GLU  94           HG2      GLU  94   4.684   4.760  -3.615
  750    HG3  GLU  94           HG1      GLU  94   3.599   6.041  -3.114
  751    H    HIS  95           HN       HIS  95   8.156   4.907  -2.812
  752    HA   HIS  95           HA       HIS  95   8.057   2.237  -3.953
  753    HB2  HIS  95           HB2      HIS  95   7.448   4.733  -5.129
  754    HB3  HIS  95           HB1      HIS  95   8.551   3.769  -6.113
  755    HD1  HIS  95           HD1      HIS  95   6.664   3.708  -7.900
  756    HD2  HIS  95           HD2      HIS  95   5.708   1.641  -4.448
  757    HE1  HIS  95           HE1      HIS  95   4.734   2.188  -8.511
  758    HE2  HIS  95           HE2      HIS  95   4.066   1.098  -6.378
  759    H    HIS  96           HN       HIS  96   9.849   1.713  -5.152
  760    HA   HIS  96           HA       HIS  96  12.307   1.858  -4.082
  761    HB2  HIS  96           HB2      HIS  96  13.240   1.084  -6.198
  762    HB3  HIS  96           HB1      HIS  96  11.778   0.245  -5.738
  763    HD1  HIS  96           HD1      HIS  96  13.354   1.266  -8.636
  764    HD2  HIS  96           HD2      HIS  96   9.453   1.698  -7.282
  765    HE1  HIS  96           HE1      HIS  96  11.963   1.666 -10.682
  766    HE2  HIS  96           HE2      HIS  96   9.597   1.647  -9.847
  767    H    HIS  97           HN       HIS  97  11.093   4.563  -6.032
  768    HA   HIS  97           HA       HIS  97  11.895   6.700  -6.136
  769    HB2  HIS  97           HB2      HIS  97  12.625   6.080  -3.730
  770    HB3  HIS  97           HB1      HIS  97  14.225   5.841  -4.394
  771    HD1  HIS  97           HD1      HIS  97  12.153   8.245  -2.812
  772    HD2  HIS  97           HD2      HIS  97  15.262   8.459  -5.537
  773    HE1  HIS  97           HE1      HIS  97  13.051  10.596  -2.634
  774    HE2  HIS  97           HE2      HIS  97  14.703  10.757  -4.499
  775    H    HIS  98           HN       HIS  98  12.785   4.543  -7.904
  776    HA   HIS  98           HA       HIS  98  15.416   5.625  -8.801
  777    HB2  HIS  98           HB2      HIS  98  14.883   3.083  -8.159
  778    HB3  HIS  98           HB1      HIS  98  14.367   3.039  -9.834
  779    HD1  HIS  98           HD1      HIS  98  16.916   1.662  -8.365
  780    HD2  HIS  98           HD2      HIS  98  16.932   4.837 -11.035
  781    HE1  HIS  98           HE1      HIS  98  19.214   1.686  -9.357
  782    HE2  HIS  98           HE2      HIS  98  19.278   3.870 -10.551
  783    H    HIS  99           HN       HIS  99  12.535   6.337  -9.275
  784    HA   HIS  99           HA       HIS  99  12.433   7.273 -11.867
  785    HB2  HIS  99           HB2      HIS  99  12.323   4.804 -12.496
  786    HB3  HIS  99           HB1      HIS  99  10.898   4.649 -11.481
  787    HD1  HIS  99           HD1      HIS  99   8.794   4.640 -12.823
  788    HD2  HIS  99           HD2      HIS  99  11.793   6.886 -14.622
  789    HE1  HIS  99           HE1      HIS  99   7.821   5.463 -14.966
  790    HE2  HIS  99           HE2      HIS  99   9.787   6.494 -16.161
  791    H    HIS 100           HN       HIS 100  10.629   5.396  -9.600
  792    HA   HIS 100           HA       HIS 100   9.709   7.123  -7.862
  793    HB2  HIS 100           HB2      HIS 100   8.255   8.122  -9.745
  794    HB3  HIS 100           HB1      HIS 100   7.520   6.534  -9.925
  795    HD1  HIS 100           HD1      HIS 100   5.230   6.658  -8.924
  796    HD2  HIS 100           HD2      HIS 100   8.008   8.722  -6.637
  797    HE1  HIS 100           HE1      HIS 100   3.993   7.481  -6.935
  798    HE2  HIS 100           HE2      HIS 100   5.823   8.123  -5.429
  Start of MODEL    8
    1    H1   GLY   2           HT1      GLY   2  -1.399  12.296   6.922
    2    H2   GLY   2           HT2      GLY   2  -1.096  11.909   8.530
    3    H3   GLY   2           HT3      GLY   2  -2.654  12.443   8.076
    4    HA2  GLY   2           HA1      GLY   2  -2.633  10.090   8.371
    5    HA3  GLY   2           HA2      GLY   2  -2.811  10.472   6.659
    6    H    ILE   3           HN       ILE   3  -1.556   8.270   8.391
    7    HA   ILE   3           HA       ILE   3  -0.152   6.972   8.407
    8    HB   ILE   3           HB       ILE   3   0.206   7.658   5.488
    9   HG12  ILE   3          HG12      ILE   3  -0.630   5.073   6.700
   10   HG13  ILE   3          HG11      ILE   3  -1.803   6.343   6.508
   11   HG21  ILE   3          HG21      ILE   3   2.391   6.859   5.873
   12   HG22  ILE   3          HG22      ILE   3   1.476   5.518   5.147
   13   HG23  ILE   3          HG23      ILE   3   1.798   5.542   6.879
   14   HD11  ILE   3          HD11      ILE   3  -1.968   4.773   4.689
   15   HD12  ILE   3          HD12      ILE   3  -0.240   4.907   4.359
   16   HD13  ILE   3          HD13      ILE   3  -1.308   6.277   4.048
   17    H    LYS   4           HN       LYS   4   2.290   8.659   6.406
   18    HA   LYS   4           HA       LYS   4   3.916   8.717   8.843
   19    HB2  LYS   4           HB2      LYS   4   4.769   8.824   5.959
   20    HB3  LYS   4           HB1      LYS   4   5.874   8.978   7.318
   21    HG2  LYS   4           HG2      LYS   4   5.298   6.764   8.086
   22    HG3  LYS   4           HG1      LYS   4   4.113   6.588   6.798
   23    HD2  LYS   4           HD2      LYS   4   5.907   6.777   5.142
   24    HD3  LYS   4           HD1      LYS   4   7.073   6.955   6.456
   25    HE2  LYS   4           HE2      LYS   4   5.299   4.564   5.988
   26    HE3  LYS   4           HE1      LYS   4   7.015   4.659   5.589
   27    HZ1  LYS   4           HZ1      LYS   4   7.487   4.976   7.958
   28    HZ2  LYS   4           HZ2      LYS   4   6.742   3.527   7.691
   29    HZ3  LYS   4           HZ3      LYS   4   5.862   4.797   8.350
   30    H    GLN   5           HN       GLN   5   3.289  10.768   6.042
   31    HA   GLN   5           HA       GLN   5   3.226  13.105   7.699
   32    HB2  GLN   5           HB2      GLN   5   5.049  14.268   6.473
   33    HB3  GLN   5           HB1      GLN   5   5.591  12.911   7.458
   34    HG2  GLN   5           HG2      GLN   5   5.800  11.523   5.477
   35    HG3  GLN   5           HG1      GLN   5   5.180  12.830   4.474
   36   HE21  GLN   5          HE21      GLN   5   7.448  13.378   7.133
   37   HE22  GLN   5          HE22      GLN   5   8.762  13.803   6.121
   38    H    TYR   6           HN       TYR   6   1.574  11.584   5.837
   39    HA   TYR   6           HA       TYR   6   1.419  13.353   3.502
   40    HB2  TYR   6           HB2      TYR   6   0.255  10.595   3.914
   41    HB3  TYR   6           HB1      TYR   6   0.169  11.551   2.442
   42    HD1  TYR   6           HD2      TYR   6   2.380   9.570   4.622
   43    HD2  TYR   6           HD1      TYR   6   2.021  11.660   0.935
   44    HE1  TYR   6           HE2      TYR   6   4.466   8.541   3.840
   45    HE2  TYR   6           HE1      TYR   6   4.101  10.627   0.142
   46    HH   TYR   6           HH       TYR   6   5.565   8.027   1.831
   47    H    SER   7           HN       SER   7  -0.083  14.861   3.747
   48    HA   SER   7           HA       SER   7  -2.240  14.790   5.548
   49    HB2  SER   7           HB2      SER   7  -2.072  16.354   2.976
   50    HB3  SER   7           HB1      SER   7  -2.887  16.813   4.466
   51    HG   SER   7           HG       SER   7  -0.542  17.539   3.806
   52    H    GLN   8           HN       GLN   8  -4.592  14.731   4.860
   53    HA   GLN   8           HA       GLN   8  -5.218  12.447   3.430
   54    HB2  GLN   8           HB2      GLN   8  -6.944  14.795   4.151
   55    HB3  GLN   8           HB1      GLN   8  -7.582  13.284   3.517
   56    HG2  GLN   8           HG2      GLN   8  -6.013  13.644   6.060
   57    HG3  GLN   8           HG1      GLN   8  -7.745  13.357   5.939
   58   HE21  GLN   8          HE21      GLN   8  -7.507  11.360   3.805
   59   HE22  GLN   8          HE22      GLN   8  -6.873   9.954   4.579
   60    H    GLU   9           HN       GLU   9  -4.999  15.745   2.374
   61    HA   GLU   9           HA       GLU   9  -6.178  15.484  -0.113
   62    HB2  GLU   9           HB2      GLU   9  -3.970  17.309   0.844
   63    HB3  GLU   9           HB1      GLU   9  -4.791  17.466  -0.695
   64    HG2  GLU   9           HG2      GLU   9  -5.647  19.070   0.911
   65    HG3  GLU   9           HG1      GLU   9  -6.898  17.917   0.469
   66    H    GLU  10           HN       GLU  10  -2.896  14.896   0.996
   67    HA   GLU  10           HA       GLU  10  -1.634  14.576  -1.511
   68    HB2  GLU  10           HB2      GLU  10  -0.945  13.436   1.197
   69    HB3  GLU  10           HB1      GLU  10   0.133  13.520  -0.184
   70    HG2  GLU  10           HG2      GLU  10  -1.064  15.893   1.201
   71    HG3  GLU  10           HG1      GLU  10   0.541  15.252   1.539
   72    H    LEU  11           HN       LEU  11  -3.093  12.432   0.840
   73    HA   LEU  11           HA       LEU  11  -2.258  10.138  -0.523
   74    HB2  LEU  11           HB2      LEU  11  -4.219  10.460   1.729
   75    HB3  LEU  11           HB1      LEU  11  -3.805   8.886   1.076
   76    HG   LEU  11           HG       LEU  11  -1.793  10.802   2.273
   77   HD11  LEU  11          HD11      LEU  11  -3.113   8.405   3.512
   78   HD12  LEU  11          HD12      LEU  11  -3.394  10.088   3.963
   79   HD13  LEU  11          HD13      LEU  11  -1.812   9.357   4.224
   80   HD21  LEU  11          HD21      LEU  11  -0.366   8.808   2.356
   81   HD22  LEU  11          HD22      LEU  11  -0.823   9.219   0.708
   82   HD23  LEU  11          HD23      LEU  11  -1.621   7.884   1.533
   83    H    LYS  12           HN       LYS  12  -5.395  11.789  -0.416
   84    HA   LYS  12           HA       LYS  12  -6.849   9.780  -1.729
   85    HB2  LYS  12           HB2      LYS  12  -7.329  12.744  -1.635
   86    HB3  LYS  12           HB1      LYS  12  -8.466  11.587  -2.297
   87    HG2  LYS  12           HG2      LYS  12  -8.633  10.525  -0.081
   88    HG3  LYS  12           HG1      LYS  12  -7.518  11.740   0.553
   89    HD2  LYS  12           HD2      LYS  12  -9.049  13.510  -0.174
   90    HD3  LYS  12           HD1      LYS  12 -10.173  12.282  -0.734
   91    HE2  LYS  12           HE2      LYS  12 -10.471  11.471   1.518
   92    HE3  LYS  12           HE1      LYS  12  -9.241  12.588   2.113
   93    HZ1  LYS  12           HZ1      LYS  12 -10.617  14.419   1.394
   94    HZ2  LYS  12           HZ2      LYS  12 -11.425  13.464   2.526
   95    HZ3  LYS  12           HZ3      LYS  12 -11.826  13.355   0.874
   96    H    GLU  13           HN       GLU  13  -4.979  12.554  -3.017
   97    HA   GLU  13           HA       GLU  13  -5.894  12.119  -5.664
   98    HB2  GLU  13           HB2      GLU  13  -4.122  13.698  -6.340
   99    HB3  GLU  13           HB1      GLU  13  -5.128  14.329  -5.051
  100    HG2  GLU  13           HG2      GLU  13  -3.404  13.867  -3.430
  101    HG3  GLU  13           HG1      GLU  13  -2.409  13.101  -4.668
  102    H    MET  14           HN       MET  14  -3.731  10.393  -3.750
  103    HA   MET  14           HA       MET  14  -2.161   9.550  -6.030
  104    HB2  MET  14           HB2      MET  14  -1.916   8.776  -3.125
  105    HB3  MET  14           HB1      MET  14  -0.910   8.142  -4.415
  106    HG2  MET  14           HG2      MET  14  -0.362  10.616  -4.864
  107    HG3  MET  14           HG1      MET  14  -0.994  10.875  -3.252
  108    HE1  MET  14           HE1      MET  14   0.027   9.806  -1.047
  109    HE2  MET  14           HE2      MET  14   1.385   8.682  -1.027
  110    HE3  MET  14           HE3      MET  14  -0.157   8.190  -1.733
  111    H    ALA  15           HN       ALA  15  -1.813   7.243  -6.329
  112    HA   ALA  15           HA       ALA  15  -4.334   5.912  -6.720
  113    HB1  ALA  15           HB1      ALA  15  -2.506   5.574  -8.255
  114    HB2  ALA  15           HB2      ALA  15  -2.882   4.044  -7.456
  115    HB3  ALA  15           HB3      ALA  15  -1.477   4.987  -6.960
  116    H    LEU  16           HN       LEU  16  -5.127   4.249  -5.582
  117    HA   LEU  16           HA       LEU  16  -4.707   4.233  -2.851
  118    HB2  LEU  16           HB2      LEU  16  -5.964   2.072  -4.534
  119    HB3  LEU  16           HB1      LEU  16  -6.123   2.172  -2.784
  120    HG   LEU  16           HG       LEU  16  -7.206   4.105  -4.837
  121   HD11  LEU  16          HD11      LEU  16  -8.417   2.009  -4.772
  122   HD12  LEU  16          HD12      LEU  16  -9.390   3.311  -4.090
  123   HD13  LEU  16          HD13      LEU  16  -8.600   2.149  -3.024
  124   HD21  LEU  16          HD21      LEU  16  -8.348   5.180  -2.939
  125   HD22  LEU  16          HD22      LEU  16  -6.599   5.315  -2.825
  126   HD23  LEU  16          HD23      LEU  16  -7.458   4.142  -1.825
  127    H    VAL  17           HN       VAL  17  -3.047   2.349  -5.238
  128    HA   VAL  17           HA       VAL  17  -1.860   0.569  -3.344
  129    HB   VAL  17           HB       VAL  17  -0.457  -0.194  -5.051
  130   HG11  VAL  17          HG11      VAL  17  -2.707  -0.901  -5.228
  131   HG12  VAL  17          HG12      VAL  17  -2.015  -0.725  -6.841
  132   HG13  VAL  17          HG13      VAL  17  -3.113   0.502  -6.209
  133   HG21  VAL  17          HG21      VAL  17  -1.207   2.228  -6.694
  134   HG22  VAL  17          HG22      VAL  17  -0.210   0.883  -7.251
  135   HG23  VAL  17          HG23      VAL  17   0.363   1.927  -5.950
  136    H    GLU  18           HN       GLU  18  -0.995   3.893  -4.358
  137    HA   GLU  18           HA       GLU  18   1.712   3.678  -3.547
  138    HB2  GLU  18           HB2      GLU  18  -0.112   6.063  -3.992
  139    HB3  GLU  18           HB1      GLU  18   1.634   6.153  -3.817
  140    HG2  GLU  18           HG2      GLU  18   1.926   4.862  -5.837
  141    HG3  GLU  18           HG1      GLU  18   0.192   4.678  -6.016
  142    H    ILE  19           HN       ILE  19  -1.376   4.634  -2.235
  143    HA   ILE  19           HA       ILE  19  -0.555   5.563   0.331
  144    HB   ILE  19           HB       ILE  19  -3.114   4.085  -0.402
  145   HG12  ILE  19          HG12      ILE  19  -2.514   7.067  -0.676
  146   HG13  ILE  19          HG11      ILE  19  -2.747   5.915  -1.967
  147   HG21  ILE  19          HG21      ILE  19  -2.810   4.345   1.995
  148   HG22  ILE  19          HG22      ILE  19  -4.129   5.374   1.438
  149   HG23  ILE  19          HG23      ILE  19  -2.553   6.078   1.801
  150   HD11  ILE  19          HD11      ILE  19  -4.729   7.237  -1.659
  151   HD12  ILE  19          HD12      ILE  19  -4.803   6.750   0.029
  152   HD13  ILE  19          HD13      ILE  19  -5.060   5.550  -1.238
  153    H    ALA  20           HN       ALA  20  -1.549   2.430  -1.001
  154    HA   ALA  20           HA       ALA  20  -1.507   0.910   1.281
  155    HB1  ALA  20           HB1      ALA  20  -2.427   0.154  -0.872
  156    HB2  ALA  20           HB2      ALA  20  -1.372  -1.042  -0.119
  157    HB3  ALA  20           HB3      ALA  20  -0.782  -0.073  -1.468
  158    H    HIS  21           HN       HIS  21   1.305   1.794  -0.718
  159    HA   HIS  21           HA       HIS  21   3.029  -0.051   0.600
  160    HB2  HIS  21           HB2      HIS  21   3.926   0.911  -1.452
  161    HB3  HIS  21           HB1      HIS  21   3.799   2.542  -0.792
  162    HD1  HIS  21           HD1      HIS  21   5.769   3.410   0.596
  163    HD2  HIS  21           HD2      HIS  21   6.022  -0.693  -0.066
  164    HE1  HIS  21           HE1      HIS  21   7.982   2.743   1.461
  165    HE2  HIS  21           HE2      HIS  21   7.714   0.334   1.669
  166    H    GLU  22           HN       GLU  22   2.204   3.292   1.282
  167    HA   GLU  22           HA       GLU  22   4.097   3.511   3.351
  168    HB2  GLU  22           HB2      GLU  22   1.587   5.137   2.877
  169    HB3  GLU  22           HB1      GLU  22   2.971   5.598   3.862
  170    HG2  GLU  22           HG2      GLU  22   2.984   5.222   0.876
  171    HG3  GLU  22           HG1      GLU  22   2.993   6.757   1.737
  172    H    LEU  23           HN       LEU  23   0.767   2.556   3.152
  173    HA   LEU  23           HA       LEU  23   0.165   2.417   5.911
  174    HB2  LEU  23           HB2      LEU  23  -1.451   2.483   4.015
  175    HB3  LEU  23           HB1      LEU  23  -1.007   0.840   3.627
  176    HG   LEU  23           HG       LEU  23  -1.923   0.092   5.785
  177   HD11  LEU  23          HD11      LEU  23  -1.586   2.147   7.074
  178   HD12  LEU  23          HD12      LEU  23  -3.275   1.649   7.116
  179   HD13  LEU  23          HD13      LEU  23  -2.777   2.979   6.074
  180   HD21  LEU  23          HD21      LEU  23  -3.807   1.740   4.109
  181   HD22  LEU  23          HD22      LEU  23  -4.266   0.427   5.191
  182   HD23  LEU  23          HD23      LEU  23  -3.290   0.093   3.762
  183    H    PHE  24           HN       PHE  24   1.287   0.004   3.617
  184    HA   PHE  24           HA       PHE  24   1.466  -2.097   5.613
  185    HB2  PHE  24           HB2      PHE  24   2.929  -1.916   2.968
  186    HB3  PHE  24           HB1      PHE  24   3.154  -3.194   4.095
  187    HD1  PHE  24           HD1      PHE  24   1.378  -4.772   4.613
  188    HD2  PHE  24           HD2      PHE  24   1.060  -1.952   1.470
  189    HE1  PHE  24           HE1      PHE  24  -0.329  -6.156   3.543
  190    HE2  PHE  24           HE2      PHE  24  -0.668  -3.321   0.404
  191    HZ   PHE  24           HZ       PHE  24  -1.357  -5.434   1.442
  192    H    GLU  25           HN       GLU  25   3.568   0.418   4.480
  193    HA   GLU  25           HA       GLU  25   5.929  -0.422   5.726
  194    HB2  GLU  25           HB2      GLU  25   5.540   1.291   3.820
  195    HB3  GLU  25           HB1      GLU  25   5.232   2.442   5.104
  196    HG2  GLU  25           HG2      GLU  25   7.509   2.615   4.280
  197    HG3  GLU  25           HG1      GLU  25   7.482   2.091   5.965
  198    H    GLU  26           HN       GLU  26   3.177   1.407   6.856
  199    HA   GLU  26           HA       GLU  26   4.423   2.115   9.379
  200    HB2  GLU  26           HB2      GLU  26   1.508   1.879   8.721
  201    HB3  GLU  26           HB1      GLU  26   2.181   2.551  10.183
  202    HG2  GLU  26           HG2      GLU  26   3.177   4.335   8.803
  203    HG3  GLU  26           HG1      GLU  26   2.288   3.651   7.423
  204    H    HIS  27           HN       HIS  27   2.264  -0.326   8.152
  205    HA   HIS  27           HA       HIS  27   1.625  -1.368  10.699
  206    HB2  HIS  27           HB2      HIS  27   1.146  -2.508   7.972
  207    HB3  HIS  27           HB1      HIS  27   0.728  -3.398   9.427
  208    HD1  HIS  27           HD1      HIS  27  -0.589  -1.237  11.128
  209    HD2  HIS  27           HD2      HIS  27  -1.193  -1.603   7.038
  210    HE1  HIS  27           HE1      HIS  27  -2.775  -0.146  10.697
  211    HE2  HIS  27           HE2      HIS  27  -3.301  -0.801   8.376
  212    H    LYS  28           HN       LYS  28   4.114  -2.383   8.384
  213    HA   LYS  28           HA       LYS  28   5.838  -4.328   8.726
  214    HB2  LYS  28           HB2      LYS  28   5.395  -3.182  11.489
  215    HB3  LYS  28           HB1      LYS  28   6.466  -4.516  11.108
  216    HG2  LYS  28           HG2      LYS  28   7.873  -2.669  11.312
  217    HG3  LYS  28           HG1      LYS  28   7.680  -2.874   9.576
  218    HD2  LYS  28           HD2      LYS  28   5.949  -1.104   9.622
  219    HD3  LYS  28           HD1      LYS  28   6.291  -0.869  11.339
  220    HE2  LYS  28           HE2      LYS  28   7.540   0.781  10.162
  221    HE3  LYS  28           HE1      LYS  28   8.687  -0.446  10.696
  222    HZ1  LYS  28           HZ1      LYS  28   9.106   0.208   8.412
  223    HZ2  LYS  28           HZ2      LYS  28   7.548  -0.155   7.974
  224    HZ3  LYS  28           HZ3      LYS  28   8.598  -1.407   8.404
  225    H    LYS  29           HN       LYS  29   2.920  -4.792   8.706
  226    HA   LYS  29           HA       LYS  29   3.523  -7.568   9.146
  227    HB2  LYS  29           HB2      LYS  29   1.358  -7.917  10.424
  228    HB3  LYS  29           HB1      LYS  29   2.591  -7.031  11.291
  229    HG2  LYS  29           HG2      LYS  29   0.515  -5.982  11.758
  230    HG3  LYS  29           HG1      LYS  29   1.393  -4.914  10.672
  231    HD2  LYS  29           HD2      LYS  29  -0.871  -4.972   9.904
  232    HD3  LYS  29           HD1      LYS  29   0.107  -5.932   8.789
  233    HE2  LYS  29           HE2      LYS  29  -1.977  -7.107   9.289
  234    HE3  LYS  29           HE1      LYS  29  -0.608  -7.994   9.927
  235    HZ1  LYS  29           HZ1      LYS  29  -1.101  -7.118  12.113
  236    HZ2  LYS  29           HZ2      LYS  29  -2.434  -7.916  11.477
  237    HZ3  LYS  29           HZ3      LYS  29  -2.399  -6.233  11.495
  238    HA   PRO  30           HA       PRO  30   1.104  -8.098   5.412
  239    HB2  PRO  30           HB2      PRO  30   0.157 -10.710   6.236
  240    HB3  PRO  30           HB1      PRO  30   1.392 -10.295   5.048
  241    HG2  PRO  30           HG2      PRO  30   1.963 -11.509   7.400
  242    HG3  PRO  30           HG1      PRO  30   3.086 -10.403   6.584
  243    HD2  PRO  30           HD2      PRO  30   1.227  -9.869   8.865
  244    HD3  PRO  30           HD1      PRO  30   2.934  -9.406   8.662
  245    H    VAL  31           HN       VAL  31  -1.105  -7.819   4.697
  246    HA   VAL  31           HA       VAL  31  -3.215  -8.433   6.636
  247    HB   VAL  31           HB       VAL  31  -4.473  -6.386   5.865
  248   HG11  VAL  31          HG11      VAL  31  -1.903  -5.933   7.353
  249   HG12  VAL  31          HG12      VAL  31  -3.467  -6.404   8.039
  250   HG13  VAL  31          HG13      VAL  31  -3.263  -4.815   7.309
  251   HG21  VAL  31          HG21      VAL  31  -3.127  -5.952   3.859
  252   HG22  VAL  31          HG22      VAL  31  -1.779  -5.479   4.902
  253   HG23  VAL  31          HG23      VAL  31  -3.274  -4.546   4.912
  254    HA   PRO  32           HA       PRO  32  -5.479 -10.438   3.226
  255    HB2  PRO  32           HB2      PRO  32  -7.600  -9.091   4.806
  256    HB3  PRO  32           HB1      PRO  32  -7.644 -10.727   4.186
  257    HG2  PRO  32           HG2      PRO  32  -7.179 -10.388   6.719
  258    HG3  PRO  32           HG1      PRO  32  -6.053 -11.451   5.842
  259    HD2  PRO  32           HD2      PRO  32  -5.685  -8.618   6.746
  260    HD3  PRO  32           HD1      PRO  32  -4.539  -9.983   6.776
  261    H    PHE  33           HN       PHE  33  -6.499  -9.731   1.399
  262    HA   PHE  33           HA       PHE  33  -6.000  -7.171   0.497
  263    HB2  PHE  33           HB2      PHE  33  -6.278  -9.152  -0.948
  264    HB3  PHE  33           HB1      PHE  33  -7.985  -9.204  -0.542
  265    HD1  PHE  33           HD1      PHE  33  -9.544  -7.597  -1.499
  266    HD2  PHE  33           HD2      PHE  33  -5.406  -7.515  -2.482
  267    HE1  PHE  33           HE1      PHE  33 -10.035  -6.140  -3.414
  268    HE2  PHE  33           HE2      PHE  33  -5.890  -6.056  -4.394
  269    HZ   PHE  33           HZ       PHE  33  -8.211  -5.365  -4.860
  270    H    GLN  34           HN       GLN  34  -9.170  -8.623   1.347
  271    HA   GLN  34           HA       GLN  34 -10.512  -6.241   0.955
  272    HB2  GLN  34           HB2      GLN  34 -12.392  -7.496   1.374
  273    HB3  GLN  34           HB1      GLN  34 -11.261  -8.802   1.120
  274    HG2  GLN  34           HG2      GLN  34 -12.461  -9.469   2.975
  275    HG3  GLN  34           HG1      GLN  34 -11.002  -8.775   3.697
  276   HE21  GLN  34          HE21      GLN  34 -11.983  -8.167   5.601
  277   HE22  GLN  34          HE22      GLN  34 -13.129  -6.889   5.719
  278    H    GLU  35           HN       GLU  35  -8.733  -7.350   3.684
  279    HA   GLU  35           HA       GLU  35 -10.062  -5.504   5.506
  280    HB2  GLU  35           HB2      GLU  35  -7.612  -7.216   5.957
  281    HB3  GLU  35           HB1      GLU  35  -8.344  -6.199   7.187
  282    HG2  GLU  35           HG2      GLU  35 -10.488  -7.533   6.757
  283    HG3  GLU  35           HG1      GLU  35  -9.450  -8.674   5.901
  284    H    LEU  36           HN       LEU  36  -7.049  -5.784   3.763
  285    HA   LEU  36           HA       LEU  36  -5.743  -3.422   4.521
  286    HB2  LEU  36           HB2      LEU  36  -4.715  -5.040   3.030
  287    HB3  LEU  36           HB1      LEU  36  -5.992  -4.831   1.859
  288    HG   LEU  36           HG       LEU  36  -5.205  -2.508   1.468
  289   HD11  LEU  36          HD11      LEU  36  -4.086  -2.096   3.579
  290   HD12  LEU  36          HD12      LEU  36  -2.996  -1.837   2.217
  291   HD13  LEU  36          HD13      LEU  36  -2.861  -3.305   3.182
  292   HD21  LEU  36          HD21      LEU  36  -3.229  -4.729   1.013
  293   HD22  LEU  36          HD22      LEU  36  -3.202  -3.173   0.190
  294   HD23  LEU  36          HD23      LEU  36  -4.568  -4.270  -0.040
  295    H    LEU  37           HN       LEU  37  -8.213  -4.108   2.100
  296    HA   LEU  37           HA       LEU  37  -8.609  -1.612   0.991
  297    HB2  LEU  37           HB2      LEU  37  -9.460  -3.754   0.149
  298    HB3  LEU  37           HB1      LEU  37 -10.563  -3.837   1.503
  299    HG   LEU  37           HG       LEU  37 -11.667  -1.785   0.656
  300   HD11  LEU  37          HD11      LEU  37 -11.217  -1.100  -1.649
  301   HD12  LEU  37          HD12      LEU  37  -9.864  -2.226  -1.724
  302   HD13  LEU  37          HD13      LEU  37  -9.813  -0.855  -0.615
  303   HD21  LEU  37          HD21      LEU  37 -12.863  -2.931  -1.115
  304   HD22  LEU  37          HD22      LEU  37 -12.501  -4.059   0.192
  305   HD23  LEU  37          HD23      LEU  37 -11.546  -4.087  -1.290
  306    H    ASN  38           HN       ASN  38 -10.224  -3.097   3.774
  307    HA   ASN  38           HA       ASN  38 -11.880  -0.858   4.286
  308    HB2  ASN  38           HB2      ASN  38 -11.146  -3.209   6.001
  309    HB3  ASN  38           HB1      ASN  38 -12.067  -1.866   6.663
  310   HD21  ASN  38          HD21      ASN  38 -12.126  -4.602   4.494
  311   HD22  ASN  38          HD22      ASN  38 -13.822  -4.618   4.292
  312    H    GLU  39           HN       GLU  39  -8.593  -1.551   5.329
  313    HA   GLU  39           HA       GLU  39  -8.427   0.467   7.291
  314    HB2  GLU  39           HB2      GLU  39  -6.872  -1.468   7.004
  315    HB3  GLU  39           HB1      GLU  39  -6.271  -0.719   5.535
  316    HG2  GLU  39           HG2      GLU  39  -4.702  -0.240   7.214
  317    HG3  GLU  39           HG1      GLU  39  -5.611   1.250   6.962
  318    H    ILE  40           HN       ILE  40  -7.592   0.296   3.840
  319    HA   ILE  40           HA       ILE  40  -6.620   2.907   3.518
  320    HB   ILE  40           HB       ILE  40  -8.062   1.155   1.491
  321   HG12  ILE  40          HG12      ILE  40  -5.097   1.580   1.965
  322   HG13  ILE  40          HG11      ILE  40  -6.009   0.150   2.432
  323   HG21  ILE  40          HG21      ILE  40  -6.978   2.544  -0.233
  324   HG22  ILE  40          HG22      ILE  40  -6.347   3.605   1.026
  325   HG23  ILE  40          HG23      ILE  40  -8.088   3.485   0.765
  326   HD11  ILE  40          HD11      ILE  40  -4.726  -0.232   0.405
  327   HD12  ILE  40          HD12      ILE  40  -5.549   1.112  -0.385
  328   HD13  ILE  40          HD13      ILE  40  -6.456  -0.327   0.078
  329    H    ALA  41           HN       ALA  41  -9.826   1.517   3.216
  330    HA   ALA  41           HA       ALA  41 -11.308   3.660   2.298
  331    HB1  ALA  41           HB1      ALA  41 -12.265   1.604   4.275
  332    HB2  ALA  41           HB2      ALA  41 -12.085   1.322   2.552
  333    HB3  ALA  41           HB3      ALA  41 -13.244   2.518   3.123
  334    H    SER  42           HN       SER  42 -10.724   2.708   5.480
  335    HA   SER  42           HA       SER  42 -12.060   4.887   6.788
  336    HB2  SER  42           HB2      SER  42 -10.013   2.994   7.961
  337    HB3  SER  42           HB1      SER  42 -11.216   3.942   8.844
  338    HG   SER  42           HG       SER  42 -11.506   1.632   7.301
  339    H    LEU  43           HN       LEU  43  -8.678   4.428   5.860
  340    HA   LEU  43           HA       LEU  43  -7.672   6.580   7.301
  341    HB2  LEU  43           HB2      LEU  43  -6.492   4.626   6.086
  342    HB3  LEU  43           HB1      LEU  43  -6.683   5.561   4.630
  343    HG   LEU  43           HG       LEU  43  -4.413   5.695   5.523
  344   HD11  LEU  43          HD11      LEU  43  -4.105   8.105   5.566
  345   HD12  LEU  43          HD12      LEU  43  -5.851   8.317   5.716
  346   HD13  LEU  43          HD13      LEU  43  -5.171   7.583   4.263
  347   HD21  LEU  43          HD21      LEU  43  -5.643   7.002   7.942
  348   HD22  LEU  43          HD22      LEU  43  -3.918   6.826   7.614
  349   HD23  LEU  43          HD23      LEU  43  -4.914   5.398   7.884
  350    H    LEU  44           HN       LEU  44  -9.177   6.330   4.138
  351    HA   LEU  44           HA       LEU  44  -8.685   9.117   3.561
  352    HB2  LEU  44           HB2      LEU  44  -9.951   6.899   2.011
  353    HB3  LEU  44           HB1      LEU  44 -10.203   8.558   1.518
  354    HG   LEU  44           HG       LEU  44  -7.779   8.831   1.213
  355   HD11  LEU  44          HD11      LEU  44  -7.577   5.887   1.824
  356   HD12  LEU  44          HD12      LEU  44  -6.996   7.193   2.850
  357   HD13  LEU  44          HD13      LEU  44  -6.272   6.935   1.263
  358   HD21  LEU  44          HD21      LEU  44  -7.563   7.427  -0.773
  359   HD22  LEU  44          HD22      LEU  44  -9.154   8.179  -0.663
  360   HD23  LEU  44          HD23      LEU  44  -8.952   6.477  -0.244
  361    H    GLY  45           HN       GLY  45 -11.058   7.465   5.233
  362    HA2  GLY  45           HA2      GLY  45 -12.939   8.340   6.264
  363    HA3  GLY  45           HA1      GLY  45 -12.694   9.840   5.381
  364    H    VAL  46           HN       VAL  46 -12.882   6.659   3.926
  365    HA   VAL  46           HA       VAL  46 -15.447   7.408   2.769
  366    HB   VAL  46           HB       VAL  46 -14.777   6.525   0.580
  367   HG11  VAL  46          HG11      VAL  46 -12.866   8.646   1.537
  368   HG12  VAL  46          HG12      VAL  46 -14.496   8.910   0.923
  369   HG13  VAL  46          HG13      VAL  46 -13.239   8.284  -0.146
  370   HG21  VAL  46          HG21      VAL  46 -12.020   6.198   1.772
  371   HG22  VAL  46          HG22      VAL  46 -12.419   6.003   0.066
  372   HG23  VAL  46          HG23      VAL  46 -13.099   4.900   1.261
  373    H    LYS  47           HN       LYS  47 -16.473   5.540   1.734
  374    HA   LYS  47           HA       LYS  47 -16.278   3.175   3.437
  375    HB2  LYS  47           HB2      LYS  47 -18.218   4.004   1.279
  376    HB3  LYS  47           HB1      LYS  47 -18.395   2.598   2.316
  377    HG2  LYS  47           HG2      LYS  47 -18.733   3.973   4.256
  378    HG3  LYS  47           HG1      LYS  47 -18.292   5.424   3.360
  379    HD2  LYS  47           HD2      LYS  47 -20.681   3.700   2.693
  380    HD3  LYS  47           HD1      LYS  47 -20.758   5.134   3.718
  381    HE2  LYS  47           HE2      LYS  47 -19.945   6.509   1.889
  382    HE3  LYS  47           HE1      LYS  47 -19.794   5.102   0.849
  383    HZ1  LYS  47           HZ1      LYS  47 -22.327   6.146   1.980
  384    HZ2  LYS  47           HZ2      LYS  47 -22.170   4.802   0.948
  385    HZ3  LYS  47           HZ3      LYS  47 -21.809   6.322   0.387
  386    H    LYS  48           HN       LYS  48 -15.590   1.156   2.519
  387    HA   LYS  48           HA       LYS  48 -14.317   1.545   0.044
  388    HB2  LYS  48           HB2      LYS  48 -13.632  -0.897   0.124
  389    HB3  LYS  48           HB1      LYS  48 -13.038   0.111   1.411
  390    HG2  LYS  48           HG2      LYS  48 -13.597  -1.918   2.426
  391    HG3  LYS  48           HG1      LYS  48 -14.961  -0.872   2.805
  392    HD2  LYS  48           HD2      LYS  48 -16.265  -1.884   1.052
  393    HD3  LYS  48           HD1      LYS  48 -14.856  -2.829   0.537
  394    HE2  LYS  48           HE2      LYS  48 -16.429  -4.181   1.857
  395    HE3  LYS  48           HE1      LYS  48 -14.850  -4.043   2.620
  396    HZ1  LYS  48           HZ1      LYS  48 -15.761  -2.385   4.135
  397    HZ2  LYS  48           HZ2      LYS  48 -16.682  -3.791   4.180
  398    HZ3  LYS  48           HZ3      LYS  48 -17.247  -2.456   3.317
  399    H    GLU  49           HN       GLU  49 -17.402   0.670   0.782
  400    HA   GLU  49           HA       GLU  49 -18.149  -0.690  -1.563
  401    HB2  GLU  49           HB2      GLU  49 -19.789   1.083   0.254
  402    HB3  GLU  49           HB1      GLU  49 -20.438  -0.011  -0.952
  403    HG2  GLU  49           HG2      GLU  49 -20.728  -1.029   1.172
  404    HG3  GLU  49           HG1      GLU  49 -19.432  -1.900   0.365
  405    H    GLU  50           HN       GLU  50 -17.522   2.690  -0.851
  406    HA   GLU  50           HA       GLU  50 -18.963   3.540  -3.227
  407    HB2  GLU  50           HB2      GLU  50 -18.474   5.826  -2.614
  408    HB3  GLU  50           HB1      GLU  50 -19.026   4.970  -1.185
  409    HG2  GLU  50           HG2      GLU  50 -16.705   4.755  -0.437
  410    HG3  GLU  50           HG1      GLU  50 -16.171   5.621  -1.871
  411    H    LEU  51           HN       LEU  51 -15.966   2.383  -2.562
  412    HA   LEU  51           HA       LEU  51 -14.470   3.888  -4.452
  413    HB2  LEU  51           HB2      LEU  51 -13.966   1.124  -3.357
  414    HB3  LEU  51           HB1      LEU  51 -12.816   2.028  -4.326
  415    HG   LEU  51           HG       LEU  51 -13.816   2.826  -1.587
  416   HD11  LEU  51          HD11      LEU  51 -11.141   1.766  -2.473
  417   HD12  LEU  51          HD12      LEU  51 -12.334   0.911  -1.493
  418   HD13  LEU  51          HD13      LEU  51 -11.536   2.347  -0.855
  419   HD21  LEU  51          HD21      LEU  51 -11.743   4.105  -3.372
  420   HD22  LEU  51          HD22      LEU  51 -12.064   4.550  -1.700
  421   HD23  LEU  51          HD23      LEU  51 -13.308   4.792  -2.925
  422    H    GLY  52           HN       GLY  52 -16.152   0.725  -4.653
  423    HA2  GLY  52           HA2      GLY  52 -17.331  -0.159  -6.390
  424    HA3  GLY  52           HA1      GLY  52 -17.299   1.424  -7.154
  425    H    ASP  53           HN       ASP  53 -16.484   1.245  -9.148
  426    HA   ASP  53           HA       ASP  53 -14.861  -0.382 -10.395
  427    HB2  ASP  53           HB2      ASP  53 -15.824   1.480 -11.493
  428    HB3  ASP  53           HB1      ASP  53 -14.915   2.619 -10.514
  429    H    ARG  54           HN       ARG  54 -13.756   1.703  -7.841
  430    HA   ARG  54           HA       ARG  54 -11.009   1.642  -8.646
  431    HB2  ARG  54           HB2      ARG  54 -12.516   2.969  -6.479
  432    HB3  ARG  54           HB1      ARG  54 -10.855   2.534  -6.104
  433    HG2  ARG  54           HG2      ARG  54 -11.055   4.833  -6.938
  434    HG3  ARG  54           HG1      ARG  54 -10.048   3.826  -7.966
  435    HD2  ARG  54           HD2      ARG  54 -11.928   3.557  -9.525
  436    HD3  ARG  54           HD1      ARG  54 -12.924   4.582  -8.490
  437    HE   ARG  54           HE       ARG  54 -10.749   6.092  -8.942
  438   HH11  ARG  54          HH11      ARG  54 -12.845   4.366 -11.281
  439   HH12  ARG  54          HH12      ARG  54 -12.767   5.623 -12.415
  440   HH21  ARG  54          HH21      ARG  54 -10.601   7.722 -10.570
  441   HH22  ARG  54          HH22      ARG  54 -11.448   7.541 -12.031
  442    H    ILE  55           HN       ILE  55 -13.079  -0.385  -7.057
  443    HA   ILE  55           HA       ILE  55 -11.176  -1.707  -5.347
  444    HB   ILE  55           HB       ILE  55 -13.758  -2.789  -6.510
  445   HG12  ILE  55          HG12      ILE  55 -14.207  -0.849  -5.113
  446   HG13  ILE  55          HG11      ILE  55 -14.758  -2.307  -4.299
  447   HG21  ILE  55          HG21      ILE  55 -12.316  -4.608  -5.809
  448   HG22  ILE  55          HG22      ILE  55 -13.696  -4.474  -4.719
  449   HG23  ILE  55          HG23      ILE  55 -12.117  -3.872  -4.218
  450   HD11  ILE  55          HD11      ILE  55 -13.716  -0.889  -2.705
  451   HD12  ILE  55          HD12      ILE  55 -12.293  -0.709  -3.726
  452   HD13  ILE  55          HD13      ILE  55 -12.654  -2.273  -2.992
  453    H    ALA  56           HN       ALA  56 -12.535  -2.195  -8.484
  454    HA   ALA  56           HA       ALA  56 -11.168  -4.559  -9.207
  455    HB1  ALA  56           HB1      ALA  56 -12.043  -4.079 -11.441
  456    HB2  ALA  56           HB2      ALA  56 -12.455  -2.444 -10.931
  457    HB3  ALA  56           HB3      ALA  56 -13.290  -3.821 -10.220
  458    H    GLN  57           HN       GLN  57 -10.657  -1.120  -9.759
  459    HA   GLN  57           HA       GLN  57  -8.365  -1.369 -11.356
  460    HB2  GLN  57           HB2      GLN  57  -9.822   0.749 -10.891
  461    HB3  GLN  57           HB1      GLN  57  -8.830   0.943  -9.460
  462    HG2  GLN  57           HG2      GLN  57  -7.726   0.832 -12.269
  463    HG3  GLN  57           HG1      GLN  57  -8.129   2.319 -11.432
  464   HE21  GLN  57          HE21      GLN  57  -5.598   1.257 -12.513
  465   HE22  GLN  57          HE22      GLN  57  -4.474   1.271 -11.215
  466    H    PHE  58           HN       PHE  58  -8.708  -0.715  -7.863
  467    HA   PHE  58           HA       PHE  58  -6.006  -0.873  -7.229
  468    HB2  PHE  58           HB2      PHE  58  -7.587  -0.076  -5.558
  469    HB3  PHE  58           HB1      PHE  58  -8.361  -1.655  -5.490
  470    HD1  PHE  58           HD1      PHE  58  -5.349   0.268  -4.524
  471    HD2  PHE  58           HD2      PHE  58  -7.380  -3.463  -4.273
  472    HE1  PHE  58           HE1      PHE  58  -3.847  -0.428  -2.736
  473    HE2  PHE  58           HE2      PHE  58  -5.854  -4.179  -2.524
  474    HZ   PHE  58           HZ       PHE  58  -4.090  -2.639  -1.717
  475    H    TYR  59           HN       TYR  59  -8.348  -3.561  -7.443
  476    HA   TYR  59           HA       TYR  59  -6.643  -5.596  -6.577
  477    HB2  TYR  59           HB2      TYR  59  -9.099  -5.841  -6.826
  478    HB3  TYR  59           HB1      TYR  59  -8.912  -5.761  -8.567
  479    HD1  TYR  59           HD1      TYR  59  -7.717  -7.784  -5.641
  480    HD2  TYR  59           HD2      TYR  59  -8.785  -7.742  -9.760
  481    HE1  TYR  59           HE1      TYR  59  -7.531 -10.213  -5.696
  482    HE2  TYR  59           HE2      TYR  59  -8.578 -10.188  -9.838
  483    HH   TYR  59           HH       TYR  59  -8.279 -12.076  -6.982
  484    H    THR  60           HN       THR  60  -6.919  -3.988  -9.603
  485    HA   THR  60           HA       THR  60  -5.173  -5.868 -10.932
  486    HB   THR  60           HB       THR  60  -6.307  -3.171 -11.692
  487    HG1  THR  60           HG1      THR  60  -7.975  -4.496 -11.738
  488   HG21  THR  60          HG21      THR  60  -5.651  -3.753 -14.009
  489   HG22  THR  60          HG22      THR  60  -4.771  -5.162 -13.390
  490   HG23  THR  60          HG23      THR  60  -4.284  -3.522 -12.932
  491    H    ASP  61           HN       ASP  61  -4.979  -2.506  -9.860
  492    HA   ASP  61           HA       ASP  61  -2.358  -2.062 -10.740
  493    HB2  ASP  61           HB2      ASP  61  -4.179  -0.381 -10.309
  494    HB3  ASP  61           HB1      ASP  61  -3.852  -0.556  -8.598
  495    H    LEU  62           HN       LEU  62  -3.574  -3.164  -7.633
  496    HA   LEU  62           HA       LEU  62  -1.021  -2.957  -6.249
  497    HB2  LEU  62           HB2      LEU  62  -3.182  -2.912  -5.023
  498    HB3  LEU  62           HB1      LEU  62  -3.493  -4.548  -5.552
  499    HG   LEU  62           HG       LEU  62  -1.221  -5.059  -4.368
  500   HD11  LEU  62          HD11      LEU  62  -0.581  -2.820  -3.886
  501   HD12  LEU  62          HD12      LEU  62  -0.823  -3.720  -2.391
  502   HD13  LEU  62          HD13      LEU  62  -2.043  -2.568  -2.934
  503   HD21  LEU  62          HD21      LEU  62  -3.759  -4.569  -2.822
  504   HD22  LEU  62          HD22      LEU  62  -2.404  -5.560  -2.282
  505   HD23  LEU  62          HD23      LEU  62  -3.335  -6.041  -3.699
  506    H    ASN  63           HN       ASN  63  -2.826  -5.436  -7.912
  507    HA   ASN  63           HA       ASN  63  -1.202  -7.519  -6.864
  508    HB2  ASN  63           HB2      ASN  63  -3.330  -7.524  -8.988
  509    HB3  ASN  63           HB1      ASN  63  -2.415  -8.960  -8.563
  510   HD21  ASN  63          HD21      ASN  63  -3.619  -6.546  -6.059
  511   HD22  ASN  63          HD22      ASN  63  -4.719  -7.685  -5.417
  512    H    ILE  64           HN       ILE  64  -1.220  -5.640  -9.738
  513    HA   ILE  64           HA       ILE  64   1.059  -7.200 -10.735
  514    HB   ILE  64           HB       ILE  64   0.802  -6.014 -12.920
  515   HG12  ILE  64          HG12      ILE  64  -1.714  -4.815 -11.722
  516   HG13  ILE  64          HG11      ILE  64  -0.228  -3.926 -12.011
  517   HG21  ILE  64          HG21      ILE  64  -1.309  -7.071 -13.619
  518   HG22  ILE  64          HG22      ILE  64  -1.722  -7.330 -11.923
  519   HG23  ILE  64          HG23      ILE  64  -0.325  -8.142 -12.623
  520   HD11  ILE  64          HD11      ILE  64  -1.901  -3.517 -13.738
  521   HD12  ILE  64          HD12      ILE  64  -1.924  -5.239 -14.127
  522   HD13  ILE  64          HD13      ILE  64  -0.463  -4.289 -14.397
  523    H    ASP  65           HN       ASP  65   2.055  -6.124  -8.745
  524    HA   ASP  65           HA       ASP  65   3.197  -3.530  -9.535
  525    HB2  ASP  65           HB2      ASP  65   1.371  -3.184  -7.915
  526    HB3  ASP  65           HB1      ASP  65   2.182  -4.256  -6.783
  527    H    GLY  66           HN       GLY  66   5.268  -3.007  -8.596
  528    HA2  GLY  66           HA2      GLY  66   6.964  -5.376  -8.354
  529    HA3  GLY  66           HA1      GLY  66   7.504  -3.725  -8.594
  530    H    ARG  67           HN       ARG  67   5.585  -3.107  -6.147
  531    HA   ARG  67           HA       ARG  67   7.726  -3.807  -4.285
  532    HB2  ARG  67           HB2      ARG  67   6.978  -1.822  -2.881
  533    HB3  ARG  67           HB1      ARG  67   7.807  -1.457  -4.379
  534    HG2  ARG  67           HG2      ARG  67   4.827  -1.490  -4.343
  535    HG3  ARG  67           HG1      ARG  67   5.683  -0.119  -3.637
  536    HD2  ARG  67           HD2      ARG  67   6.727   0.414  -5.709
  537    HD3  ARG  67           HD1      ARG  67   6.262  -1.133  -6.414
  538    HE   ARG  67           HE       ARG  67   4.054  -0.423  -6.518
  539   HH11  ARG  67          HH11      ARG  67   6.277   2.250  -5.695
  540   HH12  ARG  67          HH12      ARG  67   5.225   3.462  -6.154
  541   HH21  ARG  67          HH21      ARG  67   2.660   1.221  -7.246
  542   HH22  ARG  67          HH22      ARG  67   3.092   2.883  -7.126
  543    H    PHE  68           HN       PHE  68   5.015  -5.005  -5.081
  544    HA   PHE  68           HA       PHE  68   4.306  -5.752  -2.314
  545    HB2  PHE  68           HB2      PHE  68   2.441  -5.167  -4.588
  546    HB3  PHE  68           HB1      PHE  68   1.960  -5.967  -3.089
  547    HD1  PHE  68           HD2      PHE  68   3.214  -4.701  -1.057
  548    HD2  PHE  68           HD1      PHE  68   1.771  -2.984  -4.624
  549    HE1  PHE  68           HE2      PHE  68   2.960  -2.518   0.117
  550    HE2  PHE  68           HE1      PHE  68   1.535  -0.796  -3.511
  551    HZ   PHE  68           HZ       PHE  68   2.122  -0.577  -1.127
  552    H    LEU  69           HN       LEU  69   4.188  -7.848  -1.894
  553    HA   LEU  69           HA       LEU  69   3.925  -9.692  -4.143
  554    HB2  LEU  69           HB2      LEU  69   5.568 -11.145  -3.355
  555    HB3  LEU  69           HB1      LEU  69   6.298  -9.568  -3.205
  556    HG   LEU  69           HG       LEU  69   5.129 -11.181  -0.930
  557   HD11  LEU  69          HD11      LEU  69   7.422 -11.537  -0.281
  558   HD12  LEU  69          HD12      LEU  69   7.951 -10.659  -1.727
  559   HD13  LEU  69          HD13      LEU  69   7.068 -12.179  -1.892
  560   HD21  LEU  69          HD21      LEU  69   6.299  -9.557   0.531
  561   HD22  LEU  69          HD22      LEU  69   5.025  -8.807  -0.421
  562   HD23  LEU  69          HD23      LEU  69   6.704  -8.594  -0.893
  563    H    ALA  70           HN       ALA  70   2.513 -11.377  -3.750
  564    HA   ALA  70           HA       ALA  70   1.009 -11.263  -1.209
  565    HB1  ALA  70           HB1      ALA  70  -0.285 -11.354  -3.389
  566    HB2  ALA  70           HB2      ALA  70  -0.603 -12.720  -2.315
  567    HB3  ALA  70           HB3      ALA  70   0.472 -12.916  -3.699
  568    H    LEU  71           HN       LEU  71   0.959 -12.589   0.203
  569    HA   LEU  71           HA       LEU  71   3.293 -14.299   0.356
  570    HB2  LEU  71           HB2      LEU  71   1.307 -13.510   2.459
  571    HB3  LEU  71           HB1      LEU  71   2.430 -14.815   2.746
  572    HG   LEU  71           HG       LEU  71   4.310 -13.229   2.412
  573   HD11  LEU  71          HD11      LEU  71   2.172 -11.119   2.328
  574   HD12  LEU  71          HD12      LEU  71   3.217 -11.598   0.991
  575   HD13  LEU  71          HD13      LEU  71   3.912 -10.841   2.423
  576   HD21  LEU  71          HD21      LEU  71   3.545 -13.738   4.634
  577   HD22  LEU  71          HD22      LEU  71   2.296 -12.500   4.520
  578   HD23  LEU  71          HD23      LEU  71   3.993 -12.034   4.541
  579    H    SER  72           HN       SER  72   0.211 -15.276   1.763
  580    HA   SER  72           HA       SER  72   0.846 -17.919   0.703
  581    HB2  SER  72           HB2      SER  72  -1.217 -17.160   2.766
  582    HB3  SER  72           HB1      SER  72  -0.596 -18.776   2.417
  583    HG   SER  72           HG       SER  72   1.028 -18.383   3.664
  584    H    ASP  73           HN       ASP  73  -2.141 -15.940   1.201
  585    HA   ASP  73           HA       ASP  73  -2.795 -16.463  -1.537
  586    HB2  ASP  73           HB2      ASP  73  -3.617 -18.527  -0.514
  587    HB3  ASP  73           HB1      ASP  73  -4.621 -17.586   0.591
  588    H    GLN  74           HN       GLN  74  -4.616 -15.603   1.358
  589    HA   GLN  74           HA       GLN  74  -5.703 -13.498  -0.294
  590    HB2  GLN  74           HB2      GLN  74  -7.561 -13.288   1.399
  591    HB3  GLN  74           HB1      GLN  74  -7.507 -14.743   0.436
  592    HG2  GLN  74           HG2      GLN  74  -8.175 -15.205   2.722
  593    HG3  GLN  74           HG1      GLN  74  -6.650 -15.986   2.345
  594   HE21  GLN  74          HE21      GLN  74  -8.178 -13.379   4.164
  595   HE22  GLN  74          HE22      GLN  74  -6.867 -13.200   5.268
  596    H    THR  75           HN       THR  75  -3.165 -13.345   1.335
  597    HA   THR  75           HA       THR  75  -3.627 -10.790   2.652
  598    HB   THR  75           HB       THR  75  -1.468 -11.505   3.820
  599    HG1  THR  75           HG1      THR  75  -2.077 -14.143   3.670
  600   HG21  THR  75          HG21      THR  75  -2.669 -12.822   5.526
  601   HG22  THR  75          HG22      THR  75  -4.007 -13.049   4.400
  602   HG23  THR  75          HG23      THR  75  -3.619 -11.436   4.999
  603    H    TRP  76           HN       TRP  76  -2.108  -9.276   2.260
  604    HA   TRP  76           HA       TRP  76  -0.026  -9.716   0.257
  605    HB2  TRP  76           HB2      TRP  76  -1.838  -7.422   0.899
  606    HB3  TRP  76           HB1      TRP  76  -0.339  -7.214  -0.013
  607    HD1  TRP  76           HD1      TRP  76  -3.845  -8.723  -0.301
  608    HE1  TRP  76           HE1      TRP  76  -4.229  -9.394  -2.774
  609    HE3  TRP  76           HE3      TRP  76   0.843  -7.868  -2.135
  610    HZ2  TRP  76           HZ2      TRP  76  -2.755  -9.526  -5.131
  611    HZ3  TRP  76           HZ3      TRP  76   1.262  -8.289  -4.522
  612    HH2  TRP  76           HH2      TRP  76  -0.544  -9.112  -5.981
  613    H    GLY  77           HN       GLY  77   1.957  -8.773   0.860
  614    HA2  GLY  77           HA2      GLY  77   2.009  -7.511   3.503
  615    HA3  GLY  77           HA1      GLY  77   3.129  -8.813   3.118
  616    H    LEU  78           HN       LEU  78   3.493  -5.941   3.805
  617    HA   LEU  78           HA       LEU  78   4.537  -4.391   1.792
  618    HB2  LEU  78           HB2      LEU  78   4.610  -4.426   4.510
  619    HB3  LEU  78           HB1      LEU  78   6.237  -4.855   4.126
  620    HG   LEU  78           HG       LEU  78   4.885  -2.285   3.966
  621   HD11  LEU  78          HD11      LEU  78   6.320  -2.625   5.680
  622   HD12  LEU  78          HD12      LEU  78   7.164  -1.543   4.556
  623   HD13  LEU  78          HD13      LEU  78   7.576  -3.254   4.635
  624   HD21  LEU  78          HD21      LEU  78   7.012  -2.957   1.904
  625   HD22  LEU  78          HD22      LEU  78   6.413  -1.355   2.298
  626   HD23  LEU  78          HD23      LEU  78   5.331  -2.532   1.581
  627    H    ARG  79           HN       ARG  79   6.147  -4.824   0.341
  628    HA   ARG  79           HA       ARG  79   7.568  -7.283   0.492
  629    HB2  ARG  79           HB2      ARG  79   6.588  -6.163  -1.523
  630    HB3  ARG  79           HB1      ARG  79   7.926  -5.046  -1.470
  631    HG2  ARG  79           HG2      ARG  79   9.459  -6.696  -2.073
  632    HG3  ARG  79           HG1      ARG  79   8.343  -8.020  -1.734
  633    HD2  ARG  79           HD2      ARG  79   6.817  -6.968  -3.475
  634    HD3  ARG  79           HD1      ARG  79   8.168  -5.946  -3.881
  635    HE   ARG  79           HE       ARG  79   9.303  -8.395  -4.024
  636   HH11  ARG  79          HH11      ARG  79   6.279  -7.297  -5.548
  637   HH12  ARG  79          HH12      ARG  79   6.635  -8.009  -7.038
  638   HH21  ARG  79          HH21      ARG  79   9.755  -9.366  -6.097
  639   HH22  ARG  79          HH22      ARG  79   8.641  -9.182  -7.376
  640    H    SER  80           HN       SER  80   8.193  -4.422   2.024
  641    HA   SER  80           HA       SER  80  10.955  -3.983   1.497
  642    HB2  SER  80           HB2      SER  80   9.377  -3.068   3.910
  643    HB3  SER  80           HB1      SER  80  10.906  -2.421   3.345
  644    HG   SER  80           HG       SER  80   8.988  -1.228   2.748
  645    H    TRP  81           HN       TRP  81   9.473  -6.418   3.229
  646    HA   TRP  81           HA       TRP  81  11.578  -6.704   5.192
  647    HB2  TRP  81           HB2      TRP  81   9.357  -8.699   4.567
  648    HB3  TRP  81           HB1      TRP  81  10.312  -8.602   6.052
  649    HD1  TRP  81           HD1      TRP  81  10.139  -5.584   6.702
  650    HE1  TRP  81           HE1      TRP  81   8.004  -4.416   7.305
  651    HE3  TRP  81           HE3      TRP  81   6.869  -9.042   4.841
  652    HZ2  TRP  81           HZ2      TRP  81   5.158  -4.902   7.012
  653    HZ3  TRP  81           HZ3      TRP  81   4.450  -8.601   5.063
  654    HH2  TRP  81           HH2      TRP  81   3.644  -6.526   6.141
  655    H    TYR  82           HN       TYR  82  11.283  -7.152   2.070
  656    HA   TYR  82           HA       TYR  82  13.295  -9.237   1.822
  657    HB2  TYR  82           HB2      TYR  82  11.347 -10.018   0.707
  658    HB3  TYR  82           HB1      TYR  82  10.903  -8.415   0.160
  659    HD1  TYR  82           HD2      TYR  82  13.164 -11.284  -0.453
  660    HD2  TYR  82           HD1      TYR  82  11.666  -7.577  -1.892
  661    HE1  TYR  82           HE2      TYR  82  14.164 -11.737  -2.659
  662    HE2  TYR  82           HE1      TYR  82  12.638  -8.003  -4.071
  663    HH   TYR  82           HH       TYR  82  14.516  -9.344  -4.980
  664    HA   PRO  83           HA       PRO  83  15.920  -5.807   0.663
  665    HB2  PRO  83           HB2      PRO  83  17.037  -7.586  -1.427
  666    HB3  PRO  83           HB1      PRO  83  17.861  -6.694  -0.143
  667    HG2  PRO  83           HG2      PRO  83  17.535  -9.312   0.060
  668    HG3  PRO  83           HG1      PRO  83  17.319  -8.266   1.475
  669    HD2  PRO  83           HD2      PRO  83  15.252  -9.551  -0.266
  670    HD3  PRO  83           HD1      PRO  83  15.290  -9.364   1.501
  671    H    TYR  84           HN       TYR  84  15.401  -4.111  -0.478
  672    HA   TYR  84           HA       TYR  84  15.861  -4.076  -3.157
  673    HB2  TYR  84           HB2      TYR  84  13.689  -3.262  -4.112
  674    HB3  TYR  84           HB1      TYR  84  13.523  -4.866  -3.443
  675    HD1  TYR  84           HD2      TYR  84  12.742  -1.309  -2.923
  676    HD2  TYR  84           HD1      TYR  84  11.884  -5.280  -1.755
  677    HE1  TYR  84           HE2      TYR  84  10.762  -0.509  -1.763
  678    HE2  TYR  84           HE1      TYR  84   9.870  -4.480  -0.591
  679    HH   TYR  84           HH       TYR  84   9.120  -2.213   0.462
  680    H    ASP  85           HN       ASP  85  16.777  -2.997  -0.777
  681    HA   ASP  85           HA       ASP  85  17.558  -1.022   0.232
  682    HB2  ASP  85           HB2      ASP  85  17.700  -0.153  -2.168
  683    HB3  ASP  85           HB1      ASP  85  16.056   0.429  -1.975
  684    H    GLN  86           HN       GLN  86  16.772   1.008   1.235
  685    HA   GLN  86           HA       GLN  86  15.751   1.908   2.918
  686    HB2  GLN  86           HB2      GLN  86  13.336   2.242   3.049
  687    HB3  GLN  86           HB1      GLN  86  13.884   2.400   1.396
  688    HG2  GLN  86           HG2      GLN  86  12.973   0.334   0.810
  689    HG3  GLN  86           HG1      GLN  86  12.529  -0.082   2.485
  690   HE21  GLN  86          HE21      GLN  86  10.915  -0.149   0.230
  691   HE22  GLN  86          HE22      GLN  86   9.657   1.031   0.418
  692    H    LEU  87           HN       LEU  87  14.243  -1.323   2.743
  693    HA   LEU  87           HA       LEU  87  13.692  -2.792   4.329
  694    HB2  LEU  87           HB2      LEU  87  16.220  -1.761   5.616
  695    HB3  LEU  87           HB1      LEU  87  15.399  -3.228   6.095
  696    HG   LEU  87           HG       LEU  87  16.676  -2.730   3.404
  697   HD11  LEU  87          HD11      LEU  87  18.329  -2.938   5.165
  698   HD12  LEU  87          HD12      LEU  87  18.334  -4.377   4.148
  699   HD13  LEU  87          HD13      LEU  87  17.565  -4.420   5.736
  700   HD21  LEU  87          HD21      LEU  87  14.784  -4.262   3.220
  701   HD22  LEU  87          HD22      LEU  87  15.413  -5.220   4.560
  702   HD23  LEU  87          HD23      LEU  87  16.303  -5.141   3.041
  703    H    ASP  88           HN       ASP  88  11.849  -1.307   4.716
  704    HA   ASP  88           HA       ASP  88  10.201  -0.531   6.233
  705    HB2  ASP  88           HB2      ASP  88  12.139  -1.651   8.251
  706    HB3  ASP  88           HB1      ASP  88  10.608  -0.918   8.671
  707    H    GLU  89           HN       GLU  89  12.731   1.036   5.562
  708    HA   GLU  89           HA       GLU  89  12.273   3.011   7.679
  709    HB2  GLU  89           HB2      GLU  89  14.550   1.996   7.433
  710    HB3  GLU  89           HB1      GLU  89  14.644   2.723   5.844
  711    HG2  GLU  89           HG2      GLU  89  14.427   4.949   6.899
  712    HG3  GLU  89           HG1      GLU  89  14.465   4.153   8.476
  713    H    GLU  90           HN       GLU  90  12.100   5.178   7.048
  714    HA   GLU  90           HA       GLU  90  10.512   5.793   4.817
  715    HB2  GLU  90           HB2      GLU  90  11.965   7.494   6.832
  716    HB3  GLU  90           HB1      GLU  90  10.914   8.165   5.603
  717    HG2  GLU  90           HG2      GLU  90   9.764   8.026   7.725
  718    HG3  GLU  90           HG1      GLU  90   9.033   6.948   6.547
  719    H    THR  91           HN       THR  91  13.275   4.864   4.222
  720    HA   THR  91           HA       THR  91  14.827   7.050   3.182
  721    HB   THR  91           HB       THR  91  15.451   4.342   2.220
  722    HG1  THR  91           HG1      THR  91  15.983   4.723   4.947
  723   HG21  THR  91          HG21      THR  91  17.633   4.993   3.109
  724   HG22  THR  91          HG22      THR  91  16.903   6.422   3.845
  725   HG23  THR  91          HG23      THR  91  16.952   6.261   2.093
  726    H    GLN  92           HN       GLN  92  12.088   5.787   2.076
  727    HA   GLN  92           HA       GLN  92  12.784   6.197  -0.748
  728    HB2  GLN  92           HB2      GLN  92  10.978   4.095   0.398
  729    HB3  GLN  92           HB1      GLN  92  10.954   4.565  -1.291
  730    HG2  GLN  92           HG2      GLN  92  13.431   3.652   0.088
  731    HG3  GLN  92           HG1      GLN  92  12.337   2.500  -0.691
  732   HE21  GLN  92          HE21      GLN  92  14.679   4.922  -1.024
  733   HE22  GLN  92          HE22      GLN  92  14.926   4.828  -2.723
  734    H    LEU  93           HN       LEU  93   9.926   5.965   1.400
  735    HA   LEU  93           HA       LEU  93   7.986   7.094   1.527
  736    HB2  LEU  93           HB2      LEU  93   9.551   9.368   0.254
  737    HB3  LEU  93           HB1      LEU  93   7.957   9.530   0.959
  738    HG   LEU  93           HG       LEU  93  10.457   8.790   2.483
  739   HD11  LEU  93          HD11      LEU  93   8.909  11.373   2.390
  740   HD12  LEU  93          HD12      LEU  93  10.512  11.090   1.709
  741   HD13  LEU  93          HD13      LEU  93  10.272  11.017   3.452
  742   HD21  LEU  93          HD21      LEU  93   8.444   7.824   3.475
  743   HD22  LEU  93          HD22      LEU  93   7.657   9.403   3.437
  744   HD23  LEU  93          HD23      LEU  93   9.061   9.142   4.471
  745    H    GLU  94           HN       GLU  94   6.771   5.879   0.291
  746    HA   GLU  94           HA       GLU  94   6.223   4.674  -1.377
  747    HB2  GLU  94           HB2      GLU  94   4.562   6.453  -1.590
  748    HB3  GLU  94           HB1      GLU  94   5.607   7.270  -2.772
  749    HG2  GLU  94           HG2      GLU  94   5.001   4.492  -3.378
  750    HG3  GLU  94           HG1      GLU  94   3.574   5.468  -3.445
  751    H    HIS  95           HN       HIS  95   8.039   3.875  -1.629
  752    HA   HIS  95           HA       HIS  95  10.099   4.540  -3.317
  753    HB2  HIS  95           HB2      HIS  95  10.778   2.730  -2.134
  754    HB3  HIS  95           HB1      HIS  95   9.140   2.143  -1.928
  755    HD1  HIS  95           HD1      HIS  95  12.237   1.577  -3.808
  756    HD2  HIS  95           HD2      HIS  95   8.249   0.619  -3.999
  757    HE1  HIS  95           HE1      HIS  95  12.103  -0.442  -5.422
  758    HE2  HIS  95           HE2      HIS  95   9.721  -0.831  -5.699
  759    H    HIS  96           HN       HIS  96  10.124   4.832  -5.397
  760    HA   HIS  96           HA       HIS  96   8.109   3.799  -7.149
  761    HB2  HIS  96           HB2      HIS  96  10.700   5.235  -7.734
  762    HB3  HIS  96           HB1      HIS  96   9.444   4.894  -8.907
  763    HD1  HIS  96           HD1      HIS  96  10.623   7.724  -7.615
  764    HD2  HIS  96           HD2      HIS  96   6.878   5.987  -7.212
  765    HE1  HIS  96           HE1      HIS  96   9.064   9.605  -7.073
  766    HE2  HIS  96           HE2      HIS  96   6.921   8.432  -6.478
  767    H    HIS  97           HN       HIS  97  11.624   3.864  -6.804
  768    HA   HIS  97           HA       HIS  97  12.283   1.151  -7.065
  769    HB2  HIS  97           HB2      HIS  97  12.570   2.929  -9.512
  770    HB3  HIS  97           HB1      HIS  97  13.706   1.627  -9.212
  771    HD1  HIS  97           HD1      HIS  97  10.273   2.309 -10.529
  772    HD2  HIS  97           HD2      HIS  97  12.600  -0.970  -9.483
  773    HE1  HIS  97           HE1      HIS  97   9.120   0.341 -11.484
  774    HE2  HIS  97           HE2      HIS  97  10.449  -1.640 -10.737
  775    H    HIS  98           HN       HIS  98  14.735   1.021  -7.036
  776    HA   HIS  98           HA       HIS  98  16.415   3.213  -6.881
  777    HB2  HIS  98           HB2      HIS  98  14.996   3.609  -4.723
  778    HB3  HIS  98           HB1      HIS  98  15.846   2.212  -4.073
  779    HD1  HIS  98           HD1      HIS  98  17.302   3.348  -2.334
  780    HD2  HIS  98           HD2      HIS  98  17.538   5.200  -6.054
  781    HE1  HIS  98           HE1      HIS  98  19.084   5.070  -2.117
  782    HE2  HIS  98           HE2      HIS  98  18.827   6.424  -4.179
  783    H    HIS  99           HN       HIS  99  15.631   0.100  -5.434
  784    HA   HIS  99           HA       HIS  99  18.021  -0.976  -6.685
  785    HB2  HIS  99           HB2      HIS  99  18.559  -0.722  -4.260
  786    HB3  HIS  99           HB1      HIS  99  17.097  -1.609  -3.861
  787    HD1  HIS  99           HD1      HIS  99  17.118  -4.273  -4.747
  788    HD2  HIS  99           HD2      HIS  99  20.777  -2.288  -4.586
  789    HE1  HIS  99           HE1      HIS  99  18.848  -6.060  -4.663
  790    HE2  HIS  99           HE2      HIS  99  21.004  -4.836  -4.298
  791    H    HIS 100           HN       HIS 100  17.023  -2.201  -8.166
  792    HA   HIS 100           HA       HIS 100  14.727  -3.700  -7.228
  793    HB2  HIS 100           HB2      HIS 100  14.301  -4.284  -9.651
  794    HB3  HIS 100           HB1      HIS 100  14.168  -2.579  -9.293
  795    HD1  HIS 100           HD1      HIS 100  15.702  -0.992 -10.625
  796    HD2  HIS 100           HD2      HIS 100  16.493  -5.008 -11.338
  797    HE1  HIS 100           HE1      HIS 100  17.221  -1.036 -12.584
  798    HE2  HIS 100           HE2      HIS 100  17.286  -3.446 -13.214
  Start of MODEL    9
    1    H1   GLY   2           HT1      GLY   2  -0.862  12.481   8.208
    2    H2   GLY   2           HT2      GLY   2  -0.039  12.077   6.808
    3    H3   GLY   2           HT3      GLY   2   0.803  12.167   8.277
    4    HA2  GLY   2           HA1      GLY   2  -0.471  10.307   9.097
    5    HA3  GLY   2           HA2      GLY   2  -1.302  10.236   7.548
    6    H    ILE   3           HN       ILE   3   0.224   8.265   8.881
    7    HA   ILE   3           HA       ILE   3   1.451   6.786   8.714
    8    HB   ILE   3           HB       ILE   3   1.619   7.247   5.718
    9   HG12  ILE   3          HG12      ILE   3  -0.117   5.315   7.330
   10   HG13  ILE   3          HG11      ILE   3  -0.660   6.832   6.700
   11   HG21  ILE   3          HG21      ILE   3   2.305   4.747   7.301
   12   HG22  ILE   3          HG22      ILE   3   3.463   5.761   6.449
   13   HG23  ILE   3          HG23      ILE   3   2.256   4.839   5.541
   14   HD11  ILE   3          HD11      ILE   3  -1.390   4.997   5.312
   15   HD12  ILE   3          HD12      ILE   3   0.282   4.495   5.063
   16   HD13  ILE   3          HD13      ILE   3  -0.281   6.038   4.417
   17    H    LYS   4           HN       LYS   4   3.314   8.226   6.018
   18    HA   LYS   4           HA       LYS   4   5.792   8.037   7.582
   19    HB2  LYS   4           HB2      LYS   4   5.338   8.934   4.729
   20    HB3  LYS   4           HB1      LYS   4   6.896   8.664   5.475
   21    HG2  LYS   4           HG2      LYS   4   4.881   6.454   5.151
   22    HG3  LYS   4           HG1      LYS   4   5.982   6.910   3.865
   23    HD2  LYS   4           HD2      LYS   4   7.874   6.501   5.456
   24    HD3  LYS   4           HD1      LYS   4   6.681   5.842   6.585
   25    HE2  LYS   4           HE2      LYS   4   6.070   4.115   5.064
   26    HE3  LYS   4           HE1      LYS   4   7.010   4.832   3.762
   27    HZ1  LYS   4           HZ1      LYS   4   8.170   2.964   4.703
   28    HZ2  LYS   4           HZ2      LYS   4   8.090   3.624   6.250
   29    HZ3  LYS   4           HZ3      LYS   4   9.007   4.385   5.041
   30    H    GLN   5           HN       GLN   5   4.059  10.404   5.609
   31    HA   GLN   5           HA       GLN   5   4.434  12.669   7.272
   32    HB2  GLN   5           HB2      GLN   5   6.025  13.892   5.816
   33    HB3  GLN   5           HB1      GLN   5   6.774  12.479   6.553
   34    HG2  GLN   5           HG2      GLN   5   6.618  11.242   4.506
   35    HG3  GLN   5           HG1      GLN   5   5.655  12.509   3.755
   36   HE21  GLN   5          HE21      GLN   5   8.791  11.592   4.834
   37   HE22  GLN   5          HE22      GLN   5   9.672  12.789   3.965
   38    H    TYR   6           HN       TYR   6   2.491  11.190   5.493
   39    HA   TYR   6           HA       TYR   6   2.238  13.045   3.280
   40    HB2  TYR   6           HB2      TYR   6   0.808  10.425   3.697
   41    HB3  TYR   6           HB1      TYR   6   0.722  11.433   2.262
   42    HD1  TYR   6           HD2      TYR   6   2.949  11.792   0.949
   43    HD2  TYR   6           HD1      TYR   6   2.399   8.747   3.873
   44    HE1  TYR   6           HE2      TYR   6   4.863  10.545   0.023
   45    HE2  TYR   6           HE1      TYR   6   4.280   7.520   2.960
   46    HH   TYR   6           HH       TYR   6   5.589   7.296   1.070
   47    H    SER   7           HN       SER   7   0.940  14.727   3.710
   48    HA   SER   7           HA       SER   7  -1.071  14.867   5.718
   49    HB2  SER   7           HB2      SER   7  -0.927  16.438   3.129
   50    HB3  SER   7           HB1      SER   7  -1.715  16.917   4.627
   51    HG   SER   7           HG       SER   7   0.222  17.948   4.447
   52    H    GLN   8           HN       GLN   8  -3.402  15.120   5.357
   53    HA   GLN   8           HA       GLN   8  -4.377  12.814   4.297
   54    HB2  GLN   8           HB2      GLN   8  -5.358  14.309   6.084
   55    HB3  GLN   8           HB1      GLN   8  -6.048  15.262   4.768
   56    HG2  GLN   8           HG2      GLN   8  -7.641  13.621   5.584
   57    HG3  GLN   8           HG1      GLN   8  -7.105  13.333   3.910
   58   HE21  GLN   8          HE21      GLN   8  -7.624  11.201   4.019
   59   HE22  GLN   8          HE22      GLN   8  -6.664  10.038   4.848
   60    H    GLU   9           HN       GLU   9  -4.199  15.966   2.836
   61    HA   GLU   9           HA       GLU   9  -5.736  15.383   0.540
   62    HB2  GLU   9           HB2      GLU   9  -4.670  17.358  -0.453
   63    HB3  GLU   9           HB1      GLU   9  -5.345  17.649   1.134
   64    HG2  GLU   9           HG2      GLU   9  -3.057  17.542   2.075
   65    HG3  GLU   9           HG1      GLU   9  -2.434  17.334   0.438
   66    H    GLU  10           HN       GLU  10  -2.436  14.793   1.435
   67    HA   GLU  10           HA       GLU  10  -1.415  14.365  -1.182
   68    HB2  GLU  10           HB2      GLU  10  -0.308  13.789   1.548
   69    HB3  GLU  10           HB1      GLU  10   0.587  13.559   0.057
   70    HG2  GLU  10           HG2      GLU  10  -0.535  16.167   1.051
   71    HG3  GLU  10           HG1      GLU  10   1.153  15.665   1.162
   72    H    LEU  11           HN       LEU  11  -2.656  12.363   1.409
   73    HA   LEU  11           HA       LEU  11  -1.721  10.021   0.262
   74    HB2  LEU  11           HB2      LEU  11  -3.961  10.431   2.253
   75    HB3  LEU  11           HB1      LEU  11  -3.533   8.829   1.703
   76    HG   LEU  11           HG       LEU  11  -1.582  10.657   3.111
   77   HD11  LEU  11          HD11      LEU  11  -2.042   9.317   5.109
   78   HD12  LEU  11          HD12      LEU  11  -3.310   8.448   4.244
   79   HD13  LEU  11          HD13      LEU  11  -3.492  10.170   4.580
   80   HD21  LEU  11          HD21      LEU  11  -0.572   8.881   1.770
   81   HD22  LEU  11          HD22      LEU  11  -1.601   7.688   2.561
   82   HD23  LEU  11          HD23      LEU  11  -0.380   8.552   3.490
   83    H    LYS  12           HN       LYS  12  -4.793  11.705   0.056
   84    HA   LYS  12           HA       LYS  12  -6.152   9.783  -1.449
   85    HB2  LYS  12           HB2      LYS  12  -6.713  12.700  -0.991
   86    HB3  LYS  12           HB1      LYS  12  -7.815  11.581  -1.785
   87    HG2  LYS  12           HG2      LYS  12  -7.871  10.222   0.274
   88    HG3  LYS  12           HG1      LYS  12  -6.823  11.400   1.057
   89    HD2  LYS  12           HD2      LYS  12  -9.136  11.780   1.685
   90    HD3  LYS  12           HD1      LYS  12  -8.548  13.127   0.710
   91    HE2  LYS  12           HE2      LYS  12  -9.669  12.195  -1.260
   92    HE3  LYS  12           HE1      LYS  12 -10.217  10.816  -0.305
   93    HZ1  LYS  12           HZ1      LYS  12 -11.947  12.475  -0.562
   94    HZ2  LYS  12           HZ2      LYS  12 -10.973  13.653   0.122
   95    HZ3  LYS  12           HZ3      LYS  12 -11.501  12.357   1.056
   96    H    GLU  13           HN       GLU  13  -3.569  11.617  -2.467
   97    HA   GLU  13           HA       GLU  13  -4.714  11.804  -5.178
   98    HB2  GLU  13           HB2      GLU  13  -3.003  13.406  -5.783
   99    HB3  GLU  13           HB1      GLU  13  -3.894  13.956  -4.370
  100    HG2  GLU  13           HG2      GLU  13  -2.105  13.764  -2.993
  101    HG3  GLU  13           HG1      GLU  13  -1.393  12.448  -3.926
  102    H    MET  14           HN       MET  14  -2.965   9.760  -3.420
  103    HA   MET  14           HA       MET  14  -1.089   9.212  -5.589
  104    HB2  MET  14           HB2      MET  14  -1.128   8.079  -2.787
  105    HB3  MET  14           HB1      MET  14   0.075   7.727  -4.016
  106    HG2  MET  14           HG2      MET  14   0.671  10.161  -3.995
  107    HG3  MET  14           HG1      MET  14  -0.403  10.343  -2.616
  108    HE1  MET  14           HE1      MET  14   0.186   7.412  -1.217
  109    HE2  MET  14           HE2      MET  14  -0.057   8.914  -0.328
  110    HE3  MET  14           HE3      MET  14   1.363   7.917  -0.004
  111    H    ALA  15           HN       ALA  15  -0.785   6.911  -6.077
  112    HA   ALA  15           HA       ALA  15  -3.296   5.651  -6.685
  113    HB1  ALA  15           HB1      ALA  15  -1.306   5.322  -8.087
  114    HB2  ALA  15           HB2      ALA  15  -1.914   3.793  -7.446
  115    HB3  ALA  15           HB3      ALA  15  -0.489   4.546  -6.733
  116    H    LEU  16           HN       LEU  16  -4.268   4.029  -5.659
  117    HA   LEU  16           HA       LEU  16  -3.982   3.948  -2.955
  118    HB2  LEU  16           HB2      LEU  16  -5.241   1.863  -4.695
  119    HB3  LEU  16           HB1      LEU  16  -5.548   2.016  -2.967
  120    HG   LEU  16           HG       LEU  16  -6.350   3.914  -5.175
  121   HD11  LEU  16          HD11      LEU  16  -7.981   2.243  -3.283
  122   HD12  LEU  16          HD12      LEU  16  -7.748   1.956  -5.007
  123   HD13  LEU  16          HD13      LEU  16  -8.621   3.386  -4.461
  124   HD21  LEU  16          HD21      LEU  16  -7.439   5.258  -3.445
  125   HD22  LEU  16          HD22      LEU  16  -5.694   5.220  -3.228
  126   HD23  LEU  16          HD23      LEU  16  -6.730   4.231  -2.196
  127    H    VAL  17           HN       VAL  17  -2.421   1.914  -5.364
  128    HA   VAL  17           HA       VAL  17  -1.460   0.016  -3.599
  129    HB   VAL  17           HB       VAL  17  -1.408  -0.251  -6.073
  130   HG11  VAL  17          HG11      VAL  17   0.393   0.740  -7.414
  131   HG12  VAL  17          HG12      VAL  17   0.873   1.711  -6.018
  132   HG13  VAL  17          HG13      VAL  17  -0.714   1.941  -6.750
  133   HG21  VAL  17          HG21      VAL  17   0.747  -1.377  -6.267
  134   HG22  VAL  17          HG22      VAL  17  -0.015  -1.691  -4.700
  135   HG23  VAL  17          HG23      VAL  17   1.306  -0.535  -4.823
  136    H    GLU  18           HN       GLU  18  -0.310   3.355  -4.261
  137    HA   GLU  18           HA       GLU  18   2.300   2.971  -3.214
  138    HB2  GLU  18           HB2      GLU  18   0.678   5.477  -3.747
  139    HB3  GLU  18           HB1      GLU  18   2.405   5.431  -3.410
  140    HG2  GLU  18           HG2      GLU  18   2.817   4.217  -5.432
  141    HG3  GLU  18           HG1      GLU  18   1.103   4.112  -5.784
  142    H    ILE  19           HN       ILE  19  -0.877   4.051  -2.095
  143    HA   ILE  19           HA       ILE  19  -0.140   4.901   0.506
  144    HB   ILE  19           HB       ILE  19  -2.732   3.566  -0.384
  145   HG12  ILE  19          HG12      ILE  19  -2.018   6.517  -0.283
  146   HG13  ILE  19          HG11      ILE  19  -2.218   5.554  -1.739
  147   HG21  ILE  19          HG21      ILE  19  -2.167   5.327   2.006
  148   HG22  ILE  19          HG22      ILE  19  -2.494   3.595   2.040
  149   HG23  ILE  19          HG23      ILE  19  -3.754   4.722   1.532
  150   HD11  ILE  19          HD11      ILE  19  -4.370   6.187   0.263
  151   HD12  ILE  19          HD12      ILE  19  -4.574   5.214  -1.190
  152   HD13  ILE  19          HD13      ILE  19  -4.173   6.927  -1.325
  153    H    ALA  20           HN       ALA  20  -1.187   1.837  -0.857
  154    HA   ALA  20           HA       ALA  20  -1.338   0.292   1.412
  155    HB1  ALA  20           HB1      ALA  20  -1.141  -1.658  -0.011
  156    HB2  ALA  20           HB2      ALA  20  -0.461  -0.669  -1.302
  157    HB3  ALA  20           HB3      ALA  20  -2.133  -0.425  -0.794
  158    H    HIS  21           HN       HIS  21   1.563   1.059  -0.431
  159    HA   HIS  21           HA       HIS  21   3.247  -0.805   0.916
  160    HB2  HIS  21           HB2      HIS  21   3.978   0.116  -1.172
  161    HB3  HIS  21           HB1      HIS  21   3.926   1.755  -0.525
  162    HD1  HIS  21           HD1      HIS  21   6.117   2.587   0.094
  163    HD2  HIS  21           HD2      HIS  21   5.972  -1.505   0.466
  164    HE1  HIS  21           HE1      HIS  21   8.525   1.818   0.253
  165    HE2  HIS  21           HE2      HIS  21   8.179  -0.378   1.305
  166    H    GLU  22           HN       GLU  22   2.463   2.619   1.497
  167    HA   GLU  22           HA       GLU  22   4.425   2.937   3.498
  168    HB2  GLU  22           HB2      GLU  22   1.906   4.566   3.129
  169    HB3  GLU  22           HB1      GLU  22   3.445   5.093   3.792
  170    HG2  GLU  22           HG2      GLU  22   2.839   4.455   0.906
  171    HG3  GLU  22           HG1      GLU  22   3.130   6.041   1.601
  172    H    LEU  23           HN       LEU  23   1.010   2.258   3.375
  173    HA   LEU  23           HA       LEU  23   0.275   2.248   6.080
  174    HB2  LEU  23           HB2      LEU  23  -1.191   2.213   4.068
  175    HB3  LEU  23           HB1      LEU  23  -0.712   0.559   3.780
  176    HG   LEU  23           HG       LEU  23  -1.828  -0.110   5.858
  177   HD11  LEU  23          HD11      LEU  23  -3.330   1.537   6.948
  178   HD12  LEU  23          HD12      LEU  23  -2.585   2.807   5.959
  179   HD13  LEU  23          HD13      LEU  23  -1.619   1.911   7.126
  180   HD21  LEU  23          HD21      LEU  23  -3.002  -0.186   3.726
  181   HD22  LEU  23          HD22      LEU  23  -3.540   1.478   3.954
  182   HD23  LEU  23          HD23      LEU  23  -4.107   0.212   5.040
  183    H    PHE  24           HN       PHE  24   1.491  -0.153   3.996
  184    HA   PHE  24           HA       PHE  24   1.511  -2.330   5.860
  185    HB2  PHE  24           HB2      PHE  24   2.472  -1.829   3.240
  186    HB3  PHE  24           HB1      PHE  24   3.529  -2.926   4.064
  187    HD1  PHE  24           HD1      PHE  24   1.897  -4.708   5.490
  188    HD2  PHE  24           HD2      PHE  24   1.018  -2.777   1.819
  189    HE1  PHE  24           HE1      PHE  24   0.364  -6.520   4.902
  190    HE2  PHE  24           HE2      PHE  24  -0.520  -4.582   1.222
  191    HZ   PHE  24           HZ       PHE  24  -0.847  -6.460   2.768
  192    H    GLU  25           HN       GLU  25   3.891   0.133   5.065
  193    HA   GLU  25           HA       GLU  25   5.803  -1.121   6.718
  194    HB2  GLU  25           HB2      GLU  25   5.986   1.605   5.431
  195    HB3  GLU  25           HB1      GLU  25   7.287   0.860   6.361
  196    HG2  GLU  25           HG2      GLU  25   7.060  -1.127   4.808
  197    HG3  GLU  25           HG1      GLU  25   6.074  -0.094   3.791
  198    H    GLU  26           HN       GLU  26   3.321   0.980   7.361
  199    HA   GLU  26           HA       GLU  26   4.277   1.759   9.942
  200    HB2  GLU  26           HB2      GLU  26   2.660   3.072   8.517
  201    HB3  GLU  26           HB1      GLU  26   1.464   1.829   8.806
  202    HG2  GLU  26           HG2      GLU  26   2.716   3.529  10.965
  203    HG3  GLU  26           HG1      GLU  26   1.191   3.901  10.174
  204    H    HIS  27           HN       HIS  27   1.894  -0.470   8.646
  205    HA   HIS  27           HA       HIS  27   1.151  -1.461  11.197
  206    HB2  HIS  27           HB2      HIS  27   0.566  -2.550   8.463
  207    HB3  HIS  27           HB1      HIS  27   0.067  -3.393   9.925
  208    HD1  HIS  27           HD1      HIS  27  -1.461  -1.815  11.603
  209    HD2  HIS  27           HD2      HIS  27  -1.212  -0.754   7.602
  210    HE1  HIS  27           HE1      HIS  27  -3.368  -0.260  11.227
  211    HE2  HIS  27           HE2      HIS  27  -3.051   0.594   8.914
  212    H    LYS  28           HN       LYS  28   3.465  -2.712   8.835
  213    HA   LYS  28           HA       LYS  28   5.161  -4.669   9.217
  214    HB2  LYS  28           HB2      LYS  28   4.768  -3.680  12.034
  215    HB3  LYS  28           HB1      LYS  28   6.155  -4.525  11.342
  216    HG2  LYS  28           HG2      LYS  28   6.596  -2.543   9.933
  217    HG3  LYS  28           HG1      LYS  28   5.295  -1.705  10.765
  218    HD2  LYS  28           HD2      LYS  28   6.509  -1.931  12.870
  219    HD3  LYS  28           HD1      LYS  28   7.810  -2.781  12.027
  220    HE2  LYS  28           HE2      LYS  28   6.917   0.071  11.628
  221    HE3  LYS  28           HE1      LYS  28   8.472  -0.494  12.246
  222    HZ1  LYS  28           HZ1      LYS  28   8.716   0.138   9.913
  223    HZ2  LYS  28           HZ2      LYS  28   7.417  -0.764   9.491
  224    HZ3  LYS  28           HZ3      LYS  28   8.828  -1.542  10.001
  225    H    LYS  29           HN       LYS  29   2.296  -5.031   9.249
  226    HA   LYS  29           HA       LYS  29   2.821  -7.813   9.796
  227    HB2  LYS  29           HB2      LYS  29   0.476  -8.038  10.770
  228    HB3  LYS  29           HB1      LYS  29   1.638  -7.213  11.778
  229    HG2  LYS  29           HG2      LYS  29  -0.447  -6.044  11.935
  230    HG3  LYS  29           HG1      LYS  29   0.670  -5.036  11.014
  231    HD2  LYS  29           HD2      LYS  29  -1.408  -4.935   9.844
  232    HD3  LYS  29           HD1      LYS  29  -0.357  -6.026   8.944
  233    HE2  LYS  29           HE2      LYS  29  -2.559  -7.039   9.098
  234    HE3  LYS  29           HE1      LYS  29  -1.412  -7.962  10.032
  235    HZ1  LYS  29           HZ1      LYS  29  -3.488  -7.712  11.179
  236    HZ2  LYS  29           HZ2      LYS  29  -3.416  -6.060  11.119
  237    HZ3  LYS  29           HZ3      LYS  29  -2.311  -6.916  12.076
  238    HA   PRO  30           HA       PRO  30   0.856  -8.373   5.810
  239    HB2  PRO  30           HB2      PRO  30  -0.296 -10.917   6.666
  240    HB3  PRO  30           HB1      PRO  30   1.022 -10.618   5.532
  241    HG2  PRO  30           HG2      PRO  30   1.452 -11.759   7.935
  242    HG3  PRO  30           HG1      PRO  30   2.633 -10.663   7.192
  243    HD2  PRO  30           HD2      PRO  30   0.584 -10.079   9.289
  244    HD3  PRO  30           HD1      PRO  30   2.312  -9.652   9.249
  245    H    VAL  31           HN       VAL  31  -1.211  -7.764   4.935
  246    HA   VAL  31           HA       VAL  31  -3.408  -8.183   6.780
  247    HB   VAL  31           HB       VAL  31  -4.583  -6.164   5.895
  248   HG11  VAL  31          HG11      VAL  31  -3.125  -4.426   6.901
  249   HG12  VAL  31          HG12      VAL  31  -1.910  -5.689   7.159
  250   HG13  VAL  31          HG13      VAL  31  -3.505  -5.803   7.916
  251   HG21  VAL  31          HG21      VAL  31  -3.463  -6.061   3.735
  252   HG22  VAL  31          HG22      VAL  31  -1.991  -5.508   4.535
  253   HG23  VAL  31          HG23      VAL  31  -3.450  -4.513   4.580
  254    HA   PRO  32           HA       PRO  32  -5.549 -10.422   3.465
  255    HB2  PRO  32           HB2      PRO  32  -7.901  -9.338   4.867
  256    HB3  PRO  32           HB1      PRO  32  -7.466 -11.012   4.513
  257    HG2  PRO  32           HG2      PRO  32  -7.373 -10.065   7.000
  258    HG3  PRO  32           HG1      PRO  32  -6.181 -11.226   6.395
  259    HD2  PRO  32           HD2      PRO  32  -5.914  -8.295   6.829
  260    HD3  PRO  32           HD1      PRO  32  -4.738  -9.605   7.073
  261    H    PHE  33           HN       PHE  33  -6.838  -9.850   1.664
  262    HA   PHE  33           HA       PHE  33  -6.404  -7.378   0.607
  263    HB2  PHE  33           HB2      PHE  33  -6.867  -9.354  -0.738
  264    HB3  PHE  33           HB1      PHE  33  -8.508  -9.422  -0.116
  265    HD1  PHE  33           HD1      PHE  33  -6.193  -7.488  -2.237
  266    HD2  PHE  33           HD2      PHE  33 -10.240  -8.099  -1.069
  267    HE1  PHE  33           HE1      PHE  33  -6.945  -6.067  -4.094
  268    HE2  PHE  33           HE2      PHE  33 -10.997  -6.672  -2.923
  269    HZ   PHE  33           HZ       PHE  33  -9.348  -5.654  -4.438
  270    H    GLN  34           HN       GLN  34  -9.466  -8.648   1.981
  271    HA   GLN  34           HA       GLN  34 -10.843  -6.283   1.559
  272    HB2  GLN  34           HB2      GLN  34 -12.576  -7.180   2.975
  273    HB3  GLN  34           HB1      GLN  34 -11.916  -8.489   2.015
  274    HG2  GLN  34           HG2      GLN  34 -11.902  -9.610   3.964
  275    HG3  GLN  34           HG1      GLN  34 -10.431  -8.698   4.279
  276   HE21  GLN  34          HE21      GLN  34 -12.094  -6.138   4.656
  277   HE22  GLN  34          HE22      GLN  34 -12.731  -6.339   6.224
  278    H    GLU  35           HN       GLU  35  -8.557  -7.040   4.036
  279    HA   GLU  35           HA       GLU  35  -9.574  -4.973   5.804
  280    HB2  GLU  35           HB2      GLU  35  -6.985  -6.508   5.947
  281    HB3  GLU  35           HB1      GLU  35  -7.551  -5.373   7.158
  282    HG2  GLU  35           HG2      GLU  35  -9.658  -7.025   7.072
  283    HG3  GLU  35           HG1      GLU  35  -8.365  -8.157   6.638
  284    H    LEU  36           HN       LEU  36  -6.920  -5.514   3.571
  285    HA   LEU  36           HA       LEU  36  -5.576  -3.073   3.920
  286    HB2  LEU  36           HB2      LEU  36  -4.695  -5.007   2.639
  287    HB3  LEU  36           HB1      LEU  36  -5.939  -4.767   1.440
  288    HG   LEU  36           HG       LEU  36  -4.927  -2.641   0.767
  289   HD11  LEU  36          HD11      LEU  36  -2.810  -3.266   2.826
  290   HD12  LEU  36          HD12      LEU  36  -3.998  -1.966   2.929
  291   HD13  LEU  36          HD13      LEU  36  -2.772  -1.941   1.664
  292   HD21  LEU  36          HD21      LEU  36  -4.201  -4.701  -0.317
  293   HD22  LEU  36          HD22      LEU  36  -2.950  -4.909   0.909
  294   HD23  LEU  36          HD23      LEU  36  -2.875  -3.542  -0.203
  295    H    LEU  37           HN       LEU  37  -8.303  -4.104   1.936
  296    HA   LEU  37           HA       LEU  37  -8.736  -1.736   0.499
  297    HB2  LEU  37           HB2      LEU  37  -9.630  -3.979  -0.052
  298    HB3  LEU  37           HB1      LEU  37 -10.670  -3.882   1.348
  299    HG   LEU  37           HG       LEU  37 -11.795  -1.925   0.324
  300   HD11  LEU  37          HD11      LEU  37  -9.990  -1.156  -1.103
  301   HD12  LEU  37          HD12      LEU  37 -11.432  -1.492  -2.056
  302   HD13  LEU  37          HD13      LEU  37 -10.091  -2.636  -2.058
  303   HD21  LEU  37          HD21      LEU  37 -13.046  -3.234  -1.323
  304   HD22  LEU  37          HD22      LEU  37 -12.717  -4.182   0.126
  305   HD23  LEU  37          HD23      LEU  37 -11.767  -4.449  -1.334
  306    H    ASN  38           HN       ASN  38 -10.411  -3.019   3.408
  307    HA   ASN  38           HA       ASN  38 -12.002  -0.750   3.825
  308    HB2  ASN  38           HB2      ASN  38 -11.211  -3.029   5.610
  309    HB3  ASN  38           HB1      ASN  38 -12.052  -1.648   6.288
  310   HD21  ASN  38          HD21      ASN  38 -14.201  -1.302   5.731
  311   HD22  ASN  38          HD22      ASN  38 -15.170  -2.532   5.012
  312    H    GLU  39           HN       GLU  39  -8.723  -1.414   4.873
  313    HA   GLU  39           HA       GLU  39  -8.545   0.679   6.761
  314    HB2  GLU  39           HB2      GLU  39  -7.024  -1.341   6.460
  315    HB3  GLU  39           HB1      GLU  39  -6.301  -0.474   5.114
  316    HG2  GLU  39           HG2      GLU  39  -4.910  -0.130   6.985
  317    HG3  GLU  39           HG1      GLU  39  -5.791   1.380   6.730
  318    H    ILE  40           HN       ILE  40  -7.694   0.405   3.308
  319    HA   ILE  40           HA       ILE  40  -6.675   2.989   3.159
  320    HB   ILE  40           HB       ILE  40  -7.634   1.152   0.938
  321   HG12  ILE  40          HG12      ILE  40  -4.862   1.959   1.858
  322   HG13  ILE  40          HG11      ILE  40  -5.652   0.430   2.218
  323   HG21  ILE  40          HG21      ILE  40  -7.825   3.452   0.128
  324   HG22  ILE  40          HG22      ILE  40  -6.478   2.627  -0.658
  325   HG23  ILE  40          HG23      ILE  40  -6.168   3.783   0.637
  326   HD11  ILE  40          HD11      ILE  40  -4.858   1.412  -0.517
  327   HD12  ILE  40          HD12      ILE  40  -5.638  -0.128  -0.159
  328   HD13  ILE  40          HD13      ILE  40  -4.011   0.200   0.443
  329    H    ALA  41           HN       ALA  41  -9.831   1.569   2.596
  330    HA   ALA  41           HA       ALA  41 -11.286   3.708   1.498
  331    HB1  ALA  41           HB1      ALA  41 -12.276   1.671   3.490
  332    HB2  ALA  41           HB2      ALA  41 -12.138   1.389   1.754
  333    HB3  ALA  41           HB3      ALA  41 -13.254   2.610   2.362
  334    H    SER  42           HN       SER  42 -10.740   2.836   4.688
  335    HA   SER  42           HA       SER  42 -12.010   5.131   5.910
  336    HB2  SER  42           HB2      SER  42 -11.657   2.905   7.094
  337    HB3  SER  42           HB1      SER  42  -9.942   3.289   7.159
  338    HG   SER  42           HG       SER  42 -10.682   5.291   8.279
  339    H    LEU  43           HN       LEU  43  -8.719   4.602   4.870
  340    HA   LEU  43           HA       LEU  43  -7.759   7.010   6.014
  341    HB2  LEU  43           HB2      LEU  43  -6.843   5.490   3.577
  342    HB3  LEU  43           HB1      LEU  43  -6.014   6.897   4.199
  343    HG   LEU  43           HG       LEU  43  -6.374   4.303   5.696
  344   HD11  LEU  43          HD11      LEU  43  -4.003   3.989   5.278
  345   HD12  LEU  43          HD12      LEU  43  -3.970   5.456   4.301
  346   HD13  LEU  43          HD13      LEU  43  -4.905   4.060   3.767
  347   HD21  LEU  43          HD21      LEU  43  -4.752   6.772   6.325
  348   HD22  LEU  43          HD22      LEU  43  -4.704   5.261   7.226
  349   HD23  LEU  43          HD23      LEU  43  -6.183   6.219   7.199
  350    H    LEU  44           HN       LEU  44  -9.116   6.241   2.846
  351    HA   LEU  44           HA       LEU  44  -8.833   8.865   1.788
  352    HB2  LEU  44           HB2      LEU  44 -10.757   6.718   0.970
  353    HB3  LEU  44           HB1      LEU  44 -10.345   8.129   0.019
  354    HG   LEU  44           HG       LEU  44  -8.518   5.847   0.729
  355   HD11  LEU  44          HD11      LEU  44  -8.624   5.330  -1.648
  356   HD12  LEU  44          HD12      LEU  44  -9.775   6.645  -1.882
  357   HD13  LEU  44          HD13      LEU  44 -10.213   5.254  -0.890
  358   HD21  LEU  44          HD21      LEU  44  -8.008   8.275  -0.995
  359   HD22  LEU  44          HD22      LEU  44  -6.921   6.897  -0.819
  360   HD23  LEU  44          HD23      LEU  44  -7.259   7.934   0.565
  361    H    GLY  45           HN       GLY  45 -11.178   7.454   3.873
  362    HA2  GLY  45           HA2      GLY  45 -12.878   8.554   5.029
  363    HA3  GLY  45           HA1      GLY  45 -12.646   9.962   3.986
  364    H    VAL  46           HN       VAL  46 -13.007   6.698   2.817
  365    HA   VAL  46           HA       VAL  46 -15.636   7.362   1.770
  366    HB   VAL  46           HB       VAL  46 -15.121   6.355  -0.362
  367   HG11  VAL  46          HG11      VAL  46 -12.949   8.311   0.321
  368   HG12  VAL  46          HG12      VAL  46 -14.574   8.698  -0.254
  369   HG13  VAL  46          HG13      VAL  46 -13.434   7.857  -1.309
  370   HG21  VAL  46          HG21      VAL  46 -12.392   5.732   0.762
  371   HG22  VAL  46          HG22      VAL  46 -12.810   5.589  -0.944
  372   HG23  VAL  46          HG23      VAL  46 -13.628   4.583   0.251
  373    H    LYS  47           HN       LYS  47 -16.586   5.181   0.962
  374    HA   LYS  47           HA       LYS  47 -15.733   3.057   2.821
  375    HB2  LYS  47           HB2      LYS  47 -18.412   3.499   1.480
  376    HB3  LYS  47           HB1      LYS  47 -18.010   2.137   2.508
  377    HG2  LYS  47           HG2      LYS  47 -18.087   5.025   3.365
  378    HG3  LYS  47           HG1      LYS  47 -19.316   3.802   3.695
  379    HD2  LYS  47           HD2      LYS  47 -17.782   2.546   5.068
  380    HD3  LYS  47           HD1      LYS  47 -16.444   3.604   4.623
  381    HE2  LYS  47           HE2      LYS  47 -17.345   4.084   6.861
  382    HE3  LYS  47           HE1      LYS  47 -17.473   5.457   5.768
  383    HZ1  LYS  47           HZ1      LYS  47 -19.656   3.579   6.486
  384    HZ2  LYS  47           HZ2      LYS  47 -19.813   4.875   5.415
  385    HZ3  LYS  47           HZ3      LYS  47 -19.482   5.159   7.040
  386    H    LYS  48           HN       LYS  48 -15.655   0.960   2.029
  387    HA   LYS  48           HA       LYS  48 -14.155   0.762  -0.202
  388    HB2  LYS  48           HB2      LYS  48 -14.623  -1.705  -0.071
  389    HB3  LYS  48           HB1      LYS  48 -13.993  -0.935   1.372
  390    HG2  LYS  48           HG2      LYS  48 -16.202  -0.953   2.375
  391    HG3  LYS  48           HG1      LYS  48 -16.889  -1.636   0.902
  392    HD2  LYS  48           HD2      LYS  48 -15.637  -3.598   1.141
  393    HD3  LYS  48           HD1      LYS  48 -14.715  -2.905   2.507
  394    HE2  LYS  48           HE2      LYS  48 -16.365  -4.506   3.319
  395    HE3  LYS  48           HE1      LYS  48 -16.812  -2.880   3.811
  396    HZ1  LYS  48           HZ1      LYS  48 -18.644  -4.278   2.999
  397    HZ2  LYS  48           HZ2      LYS  48 -18.002  -4.249   1.445
  398    HZ3  LYS  48           HZ3      LYS  48 -18.532  -2.821   2.187
  399    H    GLU  49           HN       GLU  49 -17.639   0.501   0.098
  400    HA   GLU  49           HA       GLU  49 -18.137  -0.589  -2.447
  401    HB2  GLU  49           HB2      GLU  49 -20.019   0.896  -0.610
  402    HB3  GLU  49           HB1      GLU  49 -20.462  -0.177  -1.929
  403    HG2  GLU  49           HG2      GLU  49 -20.699  -1.665  -0.146
  404    HG3  GLU  49           HG1      GLU  49 -19.027  -1.893  -0.566
  405    H    GLU  50           HN       GLU  50 -17.564   2.659  -1.249
  406    HA   GLU  50           HA       GLU  50 -18.811   4.077  -3.379
  407    HB2  GLU  50           HB2      GLU  50 -16.693   4.883  -1.379
  408    HB3  GLU  50           HB1      GLU  50 -17.545   5.988  -2.445
  409    HG2  GLU  50           HG2      GLU  50 -18.847   4.276  -0.354
  410    HG3  GLU  50           HG1      GLU  50 -18.413   5.975  -0.138
  411    H    LEU  51           HN       LEU  51 -15.818   2.522  -2.801
  412    HA   LEU  51           HA       LEU  51 -14.275   3.803  -4.775
  413    HB2  LEU  51           HB2      LEU  51 -14.078   1.040  -3.599
  414    HB3  LEU  51           HB1      LEU  51 -12.874   1.697  -4.679
  415    HG   LEU  51           HG       LEU  51 -13.586   2.815  -1.959
  416   HD11  LEU  51          HD11      LEU  51 -12.424   0.682  -1.804
  417   HD12  LEU  51          HD12      LEU  51 -11.385   2.009  -1.285
  418   HD13  LEU  51          HD13      LEU  51 -11.161   1.283  -2.878
  419   HD21  LEU  51          HD21      LEU  51 -11.435   3.604  -3.923
  420   HD22  LEU  51          HD22      LEU  51 -11.588   4.210  -2.279
  421   HD23  LEU  51          HD23      LEU  51 -12.838   4.572  -3.465
  422    H    GLY  52           HN       GLY  52 -16.230   0.791  -4.878
  423    HA2  GLY  52           HA2      GLY  52 -17.582  -0.009  -6.524
  424    HA3  GLY  52           HA1      GLY  52 -17.463   1.543  -7.320
  425    H    ASP  53           HN       ASP  53 -15.745   1.891  -8.563
  426    HA   ASP  53           HA       ASP  53 -15.116  -0.386 -10.357
  427    HB2  ASP  53           HB2      ASP  53 -14.555   1.184 -12.101
  428    HB3  ASP  53           HB1      ASP  53 -16.065   1.720 -11.383
  429    H    ARG  54           HN       ARG  54 -13.758   1.745  -8.121
  430    HA   ARG  54           HA       ARG  54 -11.061   1.776  -9.075
  431    HB2  ARG  54           HB2      ARG  54 -12.289   3.534  -7.633
  432    HB3  ARG  54           HB1      ARG  54 -12.027   2.441  -6.300
  433    HG2  ARG  54           HG2      ARG  54 -10.352   4.164  -6.282
  434    HG3  ARG  54           HG1      ARG  54  -9.595   2.613  -6.651
  435    HD2  ARG  54           HD2      ARG  54  -8.774   4.485  -8.062
  436    HD3  ARG  54           HD1      ARG  54  -9.466   3.162  -8.992
  437    HE   ARG  54           HE       ARG  54 -11.571   4.781  -8.735
  438   HH11  ARG  54          HH11      ARG  54  -8.256   5.722  -9.563
  439   HH12  ARG  54          HH12      ARG  54  -8.746   6.851 -10.745
  440   HH21  ARG  54          HH21      ARG  54 -12.213   6.321 -10.275
  441   HH22  ARG  54          HH22      ARG  54 -11.062   7.228 -11.145
  442    H    ILE  55           HN       ILE  55 -13.053  -0.280  -7.406
  443    HA   ILE  55           HA       ILE  55 -11.263  -1.737  -5.685
  444    HB   ILE  55           HB       ILE  55 -13.813  -2.662  -7.039
  445   HG12  ILE  55          HG12      ILE  55 -14.183  -0.767  -5.530
  446   HG13  ILE  55          HG11      ILE  55 -14.914  -2.241  -4.909
  447   HG21  ILE  55          HG21      ILE  55 -13.897  -4.448  -5.349
  448   HG22  ILE  55          HG22      ILE  55 -12.320  -3.939  -4.747
  449   HG23  ILE  55          HG23      ILE  55 -12.471  -4.579  -6.383
  450   HD11  ILE  55          HD11      ILE  55 -12.996  -2.518  -3.409
  451   HD12  ILE  55          HD12      ILE  55 -13.891  -1.030  -3.121
  452   HD13  ILE  55          HD13      ILE  55 -12.350  -0.979  -3.983
  453    H    ALA  56           HN       ALA  56 -12.489  -2.432  -8.921
  454    HA   ALA  56           HA       ALA  56 -10.866  -4.731  -9.242
  455    HB1  ALA  56           HB1      ALA  56 -11.623  -4.683 -11.568
  456    HB2  ALA  56           HB2      ALA  56 -12.295  -3.069 -11.307
  457    HB3  ALA  56           HB3      ALA  56 -12.965  -4.453 -10.448
  458    H    GLN  57           HN       GLN  57 -10.534  -1.342 -10.090
  459    HA   GLN  57           HA       GLN  57  -8.153  -1.655 -11.551
  460    HB2  GLN  57           HB2      GLN  57  -9.387   0.425 -11.686
  461    HB3  GLN  57           HB1      GLN  57  -9.162   0.715  -9.967
  462    HG2  GLN  57           HG2      GLN  57  -7.692   2.114 -11.366
  463    HG3  GLN  57           HG1      GLN  57  -6.799   1.057 -10.278
  464   HE21  GLN  57          HE21      GLN  57  -4.951   1.196 -11.529
  465   HE22  GLN  57          HE22      GLN  57  -4.779   0.413 -13.053
  466    H    PHE  58           HN       PHE  58  -8.702  -0.838  -8.123
  467    HA   PHE  58           HA       PHE  58  -6.089  -0.828  -7.210
  468    HB2  PHE  58           HB2      PHE  58  -7.888  -0.293  -5.658
  469    HB3  PHE  58           HB1      PHE  58  -8.533  -1.925  -5.773
  470    HD1  PHE  58           HD2      PHE  58  -7.373  -3.807  -4.683
  471    HD2  PHE  58           HD1      PHE  58  -5.975   0.175  -4.266
  472    HE1  PHE  58           HE2      PHE  58  -5.939  -4.528  -2.857
  473    HE2  PHE  58           HE1      PHE  58  -4.540  -0.522  -2.398
  474    HZ   PHE  58           HZ       PHE  58  -4.522  -2.868  -1.676
  475    H    TYR  59           HN       TYR  59  -8.200  -3.583  -7.615
  476    HA   TYR  59           HA       TYR  59  -6.552  -5.600  -6.604
  477    HB2  TYR  59           HB2      TYR  59  -8.987  -5.806  -7.477
  478    HB3  TYR  59           HB1      TYR  59  -8.260  -6.056  -9.058
  479    HD1  TYR  59           HD1      TYR  59  -6.854  -8.106  -9.460
  480    HD2  TYR  59           HD2      TYR  59  -8.989  -7.508  -5.830
  481    HE1  TYR  59           HE1      TYR  59  -6.590 -10.496  -8.905
  482    HE2  TYR  59           HE2      TYR  59  -8.732  -9.872  -5.265
  483    HH   TYR  59           HH       TYR  59  -6.563 -11.885  -6.795
  484    H    THR  60           HN       THR  60  -6.796  -4.476  -9.977
  485    HA   THR  60           HA       THR  60  -4.653  -5.949 -10.988
  486    HB   THR  60           HB       THR  60  -5.726  -3.246 -11.832
  487    HG1  THR  60           HG1      THR  60  -6.660  -5.296 -13.290
  488   HG21  THR  60          HG21      THR  60  -4.326  -5.398 -13.441
  489   HG22  THR  60          HG22      THR  60  -3.625  -3.856 -12.939
  490   HG23  THR  60          HG23      THR  60  -4.971  -3.879 -14.073
  491    H    ASP  61           HN       ASP  61  -4.800  -2.512  -9.937
  492    HA   ASP  61           HA       ASP  61  -2.308  -1.589 -10.332
  493    HB2  ASP  61           HB2      ASP  61  -4.365  -0.377  -9.704
  494    HB3  ASP  61           HB1      ASP  61  -4.210  -0.995  -8.076
  495    H    LEU  62           HN       LEU  62  -3.465  -3.226  -7.447
  496    HA   LEU  62           HA       LEU  62  -0.953  -3.093  -5.974
  497    HB2  LEU  62           HB2      LEU  62  -3.114  -3.159  -4.829
  498    HB3  LEU  62           HB1      LEU  62  -3.457  -4.715  -5.560
  499    HG   LEU  62           HG       LEU  62  -1.349  -5.525  -4.348
  500   HD11  LEU  62          HD11      LEU  62  -0.385  -3.443  -3.748
  501   HD12  LEU  62          HD12      LEU  62  -0.810  -4.325  -2.282
  502   HD13  LEU  62          HD13      LEU  62  -1.820  -2.987  -2.829
  503   HD21  LEU  62          HD21      LEU  62  -3.787  -4.751  -2.761
  504   HD22  LEU  62          HD22      LEU  62  -2.593  -5.961  -2.287
  505   HD23  LEU  62          HD23      LEU  62  -3.586  -6.218  -3.721
  506    H    ASN  63           HN       ASN  63  -2.699  -5.617  -7.731
  507    HA   ASN  63           HA       ASN  63  -0.864  -7.602  -6.916
  508    HB2  ASN  63           HB2      ASN  63  -2.983  -7.631  -9.061
  509    HB3  ASN  63           HB1      ASN  63  -1.931  -9.000  -8.765
  510   HD21  ASN  63          HD21      ASN  63  -3.535  -6.876  -6.212
  511   HD22  ASN  63          HD22      ASN  63  -4.435  -8.197  -5.602
  512    H    ILE  64           HN       ILE  64  -0.970  -5.508  -9.764
  513    HA   ILE  64           HA       ILE  64   1.370  -6.979 -10.688
  514    HB   ILE  64           HB       ILE  64   1.151  -5.916 -12.902
  515   HG12  ILE  64          HG12      ILE  64  -1.531  -4.887 -11.923
  516   HG13  ILE  64          HG11      ILE  64  -0.108  -3.881 -12.159
  517   HG21  ILE  64          HG21      ILE  64   0.248  -8.110 -12.535
  518   HG22  ILE  64          HG22      ILE  64  -0.809  -7.216 -13.629
  519   HG23  ILE  64          HG23      ILE  64  -1.264  -7.428 -11.937
  520   HD11  ILE  64          HD11      ILE  64  -1.542  -5.440 -14.287
  521   HD12  ILE  64          HD12      ILE  64  -0.122  -4.425 -14.534
  522   HD13  ILE  64          HD13      ILE  64  -1.648  -3.700 -14.025
  523    H    ASP  65           HN       ASP  65   2.497  -5.814  -8.880
  524    HA   ASP  65           HA       ASP  65   3.675  -3.411 -10.110
  525    HB2  ASP  65           HB2      ASP  65   2.430  -2.884  -7.939
  526    HB3  ASP  65           HB1      ASP  65   3.636  -3.869  -7.114
  527    H    GLY  66           HN       GLY  66   4.353  -5.806  -7.602
  528    HA2  GLY  66           HA2      GLY  66   6.269  -7.354  -8.411
  529    HA3  GLY  66           HA1      GLY  66   7.079  -5.788  -8.600
  530    H    ARG  67           HN       ARG  67   5.518  -4.881  -6.149
  531    HA   ARG  67           HA       ARG  67   7.478  -6.017  -4.297
  532    HB2  ARG  67           HB2      ARG  67   6.421  -3.194  -4.409
  533    HB3  ARG  67           HB1      ARG  67   7.411  -3.806  -3.104
  534    HG2  ARG  67           HG2      ARG  67   8.918  -2.639  -4.459
  535    HG3  ARG  67           HG1      ARG  67   9.154  -4.317  -4.954
  536    HD2  ARG  67           HD2      ARG  67   7.520  -3.908  -6.789
  537    HD3  ARG  67           HD1      ARG  67   7.520  -2.212  -6.337
  538    HE   ARG  67           HE       ARG  67  10.135  -2.861  -6.757
  539   HH11  ARG  67          HH11      ARG  67   7.105  -2.713  -8.616
  540   HH12  ARG  67          HH12      ARG  67   7.862  -2.688 -10.142
  541   HH21  ARG  67          HH21      ARG  67  11.199  -2.791  -8.931
  542   HH22  ARG  67          HH22      ARG  67  10.201  -2.722 -10.310
  543    H    PHE  68           HN       PHE  68   4.557  -6.655  -4.842
  544    HA   PHE  68           HA       PHE  68   3.811  -6.740  -2.000
  545    HB2  PHE  68           HB2      PHE  68   2.013  -6.055  -4.322
  546    HB3  PHE  68           HB1      PHE  68   1.425  -6.564  -2.745
  547    HD1  PHE  68           HD2      PHE  68   1.881  -5.190  -0.758
  548    HD2  PHE  68           HD1      PHE  68   2.797  -3.846  -4.686
  549    HE1  PHE  68           HE2      PHE  68   2.020  -2.888   0.066
  550    HE2  PHE  68           HE1      PHE  68   2.948  -1.539  -3.854
  551    HZ   PHE  68           HZ       PHE  68   2.539  -1.072  -1.467
  552    H    LEU  69           HN       LEU  69   3.905  -8.663  -1.391
  553    HA   LEU  69           HA       LEU  69   3.197 -10.781  -3.271
  554    HB2  LEU  69           HB2      LEU  69   4.727 -12.258  -2.163
  555    HB3  LEU  69           HB1      LEU  69   5.574 -10.829  -2.692
  556    HG   LEU  69           HG       LEU  69   4.714 -11.228   0.185
  557   HD11  LEU  69          HD11      LEU  69   6.965 -12.012   0.602
  558   HD12  LEU  69          HD12      LEU  69   7.322 -11.868  -1.127
  559   HD13  LEU  69          HD13      LEU  69   6.128 -13.040  -0.572
  560   HD21  LEU  69          HD21      LEU  69   5.314  -8.909  -0.364
  561   HD22  LEU  69          HD22      LEU  69   6.810  -9.472  -1.103
  562   HD23  LEU  69          HD23      LEU  69   6.558  -9.662   0.629
  563    H    ALA  70           HN       ALA  70   1.717 -12.174  -2.658
  564    HA   ALA  70           HA       ALA  70   0.338 -11.780  -0.070
  565    HB1  ALA  70           HB1      ALA  70  -0.437 -13.557  -2.406
  566    HB2  ALA  70           HB2      ALA  70  -1.026 -11.908  -2.220
  567    HB3  ALA  70           HB3      ALA  70  -1.442 -13.133  -1.021
  568    H    LEU  71           HN       LEU  71  -0.061 -13.194   1.356
  569    HA   LEU  71           HA       LEU  71   2.119 -15.168   1.562
  570    HB2  LEU  71           HB2      LEU  71   0.639 -13.664   3.694
  571    HB3  LEU  71           HB1      LEU  71   1.526 -15.117   4.074
  572    HG   LEU  71           HG       LEU  71   3.599 -14.005   3.248
  573   HD11  LEU  71          HD11      LEU  71   1.898 -11.535   3.137
  574   HD12  LEU  71          HD12      LEU  71   2.623 -12.366   1.761
  575   HD13  LEU  71          HD13      LEU  71   3.654 -11.607   2.974
  576   HD21  LEU  71          HD21      LEU  71   2.128 -12.614   5.468
  577   HD22  LEU  71          HD22      LEU  71   3.868 -12.557   5.192
  578   HD23  LEU  71          HD23      LEU  71   3.089 -14.086   5.603
  579    H    SER  72           HN       SER  72  -0.933 -15.050   3.346
  580    HA   SER  72           HA       SER  72  -1.193 -17.928   2.988
  581    HB2  SER  72           HB2      SER  72  -2.671 -16.000   4.793
  582    HB3  SER  72           HB1      SER  72  -2.738 -17.764   4.870
  583    HG   SER  72           HG       SER  72  -1.223 -17.322   6.313
  584    H    ASP  73           HN       ASP  73  -1.651 -16.186   0.874
  585    HA   ASP  73           HA       ASP  73  -2.892 -16.143  -0.960
  586    HB2  ASP  73           HB2      ASP  73  -3.794 -18.377  -0.440
  587    HB3  ASP  73           HB1      ASP  73  -5.059 -17.629   0.530
  588    H    GLN  74           HN       GLN  74  -4.912 -15.454   1.863
  589    HA   GLN  74           HA       GLN  74  -6.152 -13.440   0.319
  590    HB2  GLN  74           HB2      GLN  74  -7.437 -12.954   2.512
  591    HB3  GLN  74           HB1      GLN  74  -7.804 -14.381   1.578
  592    HG2  GLN  74           HG2      GLN  74  -7.829 -14.827   3.977
  593    HG3  GLN  74           HG1      GLN  74  -6.592 -15.761   3.160
  594   HE21  GLN  74          HE21      GLN  74  -7.193 -13.081   5.388
  595   HE22  GLN  74          HE22      GLN  74  -5.614 -13.092   6.049
  596    H    THR  75           HN       THR  75  -3.786 -13.511   2.882
  597    HA   THR  75           HA       THR  75  -3.676 -10.741   3.414
  598    HB   THR  75           HB       THR  75  -1.402 -11.677   4.322
  599    HG1  THR  75           HG1      THR  75  -2.798 -14.034   4.658
  600   HG21  THR  75          HG21      THR  75  -4.063 -12.396   5.545
  601   HG22  THR  75          HG22      THR  75  -3.210 -10.864   5.746
  602   HG23  THR  75          HG23      THR  75  -2.527 -12.349   6.412
  603    H    TRP  76           HN       TRP  76  -2.177  -9.422   2.748
  604    HA   TRP  76           HA       TRP  76  -0.265 -10.142   0.668
  605    HB2  TRP  76           HB2      TRP  76  -1.795  -7.639   1.338
  606    HB3  TRP  76           HB1      TRP  76  -0.348  -7.619   0.324
  607    HD1  TRP  76           HD1      TRP  76  -4.020  -8.722   0.296
  608    HE1  TRP  76           HE1      TRP  76  -4.638  -9.370  -2.146
  609    HE3  TRP  76           HE3      TRP  76   0.601  -8.464  -1.844
  610    HZ2  TRP  76           HZ2      TRP  76  -3.343  -9.720  -4.584
  611    HZ3  TRP  76           HZ3      TRP  76   0.816  -8.961  -4.239
  612    HH2  TRP  76           HH2      TRP  76  -1.113  -9.581  -5.573
  613    H    GLY  77           HN       GLY  77   1.849  -9.323   1.167
  614    HA2  GLY  77           HA2      GLY  77   2.059  -8.158   3.853
  615    HA3  GLY  77           HA1      GLY  77   3.106  -9.470   3.334
  616    H    LEU  78           HN       LEU  78   3.410  -6.553   4.135
  617    HA   LEU  78           HA       LEU  78   4.529  -5.139   2.055
  618    HB2  LEU  78           HB2      LEU  78   4.089  -4.551   4.508
  619    HB3  LEU  78           HB1      LEU  78   5.544  -5.369   4.831
  620    HG   LEU  78           HG       LEU  78   5.532  -2.749   4.631
  621   HD11  LEU  78          HD11      LEU  78   7.922  -2.891   4.056
  622   HD12  LEU  78          HD12      LEU  78   7.674  -4.620   3.738
  623   HD13  LEU  78          HD13      LEU  78   7.394  -3.966   5.343
  624   HD21  LEU  78          HD21      LEU  78   6.139  -3.654   1.829
  625   HD22  LEU  78          HD22      LEU  78   6.394  -2.034   2.480
  626   HD23  LEU  78          HD23      LEU  78   4.759  -2.674   2.327
  627    H    ARG  79           HN       ARG  79   6.250  -5.413   0.863
  628    HA   ARG  79           HA       ARG  79   7.627  -7.842   0.916
  629    HB2  ARG  79           HB2      ARG  79   8.731  -7.212  -1.058
  630    HB3  ARG  79           HB1      ARG  79   7.086  -6.626  -1.141
  631    HG2  ARG  79           HG2      ARG  79   9.560  -4.985  -0.609
  632    HG3  ARG  79           HG1      ARG  79   8.656  -5.047  -2.111
  633    HD2  ARG  79           HD2      ARG  79   6.670  -4.207  -0.647
  634    HD3  ARG  79           HD1      ARG  79   7.938  -3.756   0.502
  635    HE   ARG  79           HE       ARG  79   7.214  -2.439  -1.890
  636   HH11  ARG  79          HH11      ARG  79   9.953  -2.818   0.367
  637   HH12  ARG  79          HH12      ARG  79  10.891  -1.659  -0.428
  638   HH21  ARG  79          HH21      ARG  79   8.482  -0.958  -2.944
  639   HH22  ARG  79          HH22      ARG  79  10.009  -0.518  -2.382
  640    H    SER  80           HN       SER  80   8.612  -4.776   2.366
  641    HA   SER  80           HA       SER  80  11.367  -5.133   2.138
  642    HB2  SER  80           HB2      SER  80   9.971  -3.436   4.188
  643    HB3  SER  80           HB1      SER  80  11.503  -3.148   3.368
  644    HG   SER  80           HG       SER  80   9.599  -1.927   2.600
  645    H    TRP  81           HN       TRP  81   9.364  -7.061   3.986
  646    HA   TRP  81           HA       TRP  81  11.231  -7.271   6.241
  647    HB2  TRP  81           HB2      TRP  81   8.772  -9.009   5.731
  648    HB3  TRP  81           HB1      TRP  81   9.629  -8.818   7.255
  649    HD1  TRP  81           HD1      TRP  81   9.743  -5.655   7.428
  650    HE1  TRP  81           HE1      TRP  81   7.611  -4.271   7.738
  651    HE3  TRP  81           HE3      TRP  81   6.315  -9.149   5.931
  652    HZ2  TRP  81           HZ2      TRP  81   4.789  -4.631   7.374
  653    HZ3  TRP  81           HZ3      TRP  81   3.929  -8.545   5.966
  654    HH2  TRP  81           HH2      TRP  81   3.209  -6.300   6.684
  655    H    TYR  82           HN       TYR  82  11.535  -7.853   3.385
  656    HA   TYR  82           HA       TYR  82  13.266 -10.117   3.453
  657    HB2  TYR  82           HB2      TYR  82  11.179 -11.144   2.638
  658    HB3  TYR  82           HB1      TYR  82  10.827  -9.743   1.646
  659    HD1  TYR  82           HD1      TYR  82  11.918  -9.429  -0.443
  660    HD2  TYR  82           HD2      TYR  82  12.728 -12.878   1.877
  661    HE1  TYR  82           HE1      TYR  82  12.901 -10.402  -2.365
  662    HE2  TYR  82           HE2      TYR  82  13.766 -13.955  -0.084
  663    HH   TYR  82           HH       TYR  82  14.627 -12.228  -2.838
  664    HA   PRO  83           HA       PRO  83  15.599  -6.822   1.565
  665    HB2  PRO  83           HB2      PRO  83  16.783  -8.116  -0.604
  666    HB3  PRO  83           HB1      PRO  83  17.417  -8.053   1.043
  667    HG2  PRO  83           HG2      PRO  83  15.779 -10.181  -0.275
  668    HG3  PRO  83           HG1      PRO  83  17.175 -10.356   0.805
  669    HD2  PRO  83           HD2      PRO  83  14.738 -10.752   1.741
  670    HD3  PRO  83           HD1      PRO  83  15.920  -9.823   2.697
  671    H    TYR  84           HN       TYR  84  14.810  -5.223   0.297
  672    HA   TYR  84           HA       TYR  84  14.299  -5.713  -2.376
  673    HB2  TYR  84           HB2      TYR  84  11.934  -5.274  -0.649
  674    HB3  TYR  84           HB1      TYR  84  11.955  -4.310  -2.114
  675    HD1  TYR  84           HD2      TYR  84  12.265  -5.543  -4.330
  676    HD2  TYR  84           HD1      TYR  84  11.146  -7.500  -0.727
  677    HE1  TYR  84           HE2      TYR  84  11.326  -7.407  -5.626
  678    HE2  TYR  84           HE1      TYR  84  10.199  -9.346  -2.020
  679    HH   TYR  84           HH       TYR  84  10.792  -9.754  -5.315
  680    H    ASP  85           HN       ASP  85  16.199  -4.289  -1.915
  681    HA   ASP  85           HA       ASP  85  17.265  -2.352  -2.535
  682    HB2  ASP  85           HB2      ASP  85  14.503  -1.212  -2.958
  683    HB3  ASP  85           HB1      ASP  85  15.996  -0.406  -3.373
  684    H    GLN  86           HN       GLN  86  14.465  -1.579  -0.453
  685    HA   GLN  86           HA       GLN  86  16.277  -0.074   1.286
  686    HB2  GLN  86           HB2      GLN  86  13.663   1.127   0.347
  687    HB3  GLN  86           HB1      GLN  86  14.700   1.799   1.589
  688    HG2  GLN  86           HG2      GLN  86  15.536   3.016  -0.053
  689    HG3  GLN  86           HG1      GLN  86  16.380   1.500  -0.406
  690   HE21  GLN  86          HE21      GLN  86  13.860   0.252  -1.327
  691   HE22  GLN  86          HE22      GLN  86  13.547   0.930  -2.880
  692    H    LEU  87           HN       LEU  87  14.989   0.684   3.307
  693    HA   LEU  87           HA       LEU  87  12.851  -1.030   3.949
  694    HB2  LEU  87           HB2      LEU  87  14.661  -2.560   4.333
  695    HB3  LEU  87           HB1      LEU  87  15.544  -1.364   5.249
  696    HG   LEU  87           HG       LEU  87  13.947  -1.523   7.082
  697   HD11  LEU  87          HD11      LEU  87  12.144  -3.159   7.057
  698   HD12  LEU  87          HD12      LEU  87  12.518  -3.563   5.385
  699   HD13  LEU  87          HD13      LEU  87  11.916  -1.955   5.790
  700   HD21  LEU  87          HD21      LEU  87  14.381  -3.835   7.739
  701   HD22  LEU  87          HD22      LEU  87  15.813  -3.077   7.038
  702   HD23  LEU  87          HD23      LEU  87  14.852  -4.209   6.087
  703    H    ASP  88           HN       ASP  88  11.611   0.466   4.590
  704    HA   ASP  88           HA       ASP  88  10.533   1.997   6.017
  705    HB2  ASP  88           HB2      ASP  88  12.525   0.737   7.829
  706    HB3  ASP  88           HB1      ASP  88  11.718   2.190   8.391
  707    H    GLU  89           HN       GLU  89  13.061   2.905   4.488
  708    HA   GLU  89           HA       GLU  89  13.836   5.272   6.072
  709    HB2  GLU  89           HB2      GLU  89  15.496   3.660   5.045
  710    HB3  GLU  89           HB1      GLU  89  14.960   4.208   3.470
  711    HG2  GLU  89           HG2      GLU  89  15.704   6.507   4.125
  712    HG3  GLU  89           HG1      GLU  89  16.412   5.791   5.574
  713    H    GLU  90           HN       GLU  90  14.285   7.282   4.495
  714    HA   GLU  90           HA       GLU  90  11.759   8.221   3.632
  715    HB2  GLU  90           HB2      GLU  90  14.463   9.459   3.150
  716    HB3  GLU  90           HB1      GLU  90  12.912  10.282   3.161
  717    HG2  GLU  90           HG2      GLU  90  14.255   8.974   5.520
  718    HG3  GLU  90           HG1      GLU  90  14.115  10.703   5.222
  719    H    THR  91           HN       THR  91  14.114   6.630   2.097
  720    HA   THR  91           HA       THR  91  13.581   7.233  -0.748
  721    HB   THR  91           HB       THR  91  15.006   4.810   0.308
  722    HG1  THR  91           HG1      THR  91  16.579   6.082   1.174
  723   HG21  THR  91          HG21      THR  91  15.559   6.794  -1.924
  724   HG22  THR  91          HG22      THR  91  14.807   5.213  -2.140
  725   HG23  THR  91          HG23      THR  91  16.483   5.330  -1.599
  726    H    GLN  92           HN       GLN  92  11.573   6.156   1.318
  727    HA   GLN  92           HA       GLN  92  10.847   3.933  -0.034
  728    HB2  GLN  92           HB2      GLN  92  10.678   4.016   2.856
  729    HB3  GLN  92           HB1      GLN  92   9.499   3.022   1.995
  730    HG2  GLN  92           HG2      GLN  92  12.471   2.915   1.525
  731    HG3  GLN  92           HG1      GLN  92  11.585   1.804   2.571
  732   HE21  GLN  92          HE21      GLN  92  11.972   2.870  -0.801
  733   HE22  GLN  92          HE22      GLN  92  11.226   1.493  -1.488
  734    H    LEU  93           HN       LEU  93   9.987   5.934  -1.220
  735    HA   LEU  93           HA       LEU  93   7.072   5.820  -0.826
  736    HB2  LEU  93           HB2      LEU  93   8.604   7.376  -2.935
  737    HB3  LEU  93           HB1      LEU  93   6.868   7.441  -2.728
  738    HG   LEU  93           HG       LEU  93   7.404   8.359  -0.369
  739   HD11  LEU  93          HD11      LEU  93   9.493   9.573  -0.159
  740   HD12  LEU  93          HD12      LEU  93  10.053   8.863  -1.673
  741   HD13  LEU  93          HD13      LEU  93   9.740   7.830  -0.277
  742   HD21  LEU  93          HD21      LEU  93   6.428   9.696  -2.171
  743   HD22  LEU  93          HD22      LEU  93   8.052  10.042  -2.781
  744   HD23  LEU  93          HD23      LEU  93   7.563  10.628  -1.196
  745    H    GLU  94           HN       GLU  94   7.272   3.678  -1.090
  746    HA   GLU  94           HA       GLU  94   7.337   1.532  -1.990
  747    HB2  GLU  94           HB2      GLU  94   5.479   2.962  -3.540
  748    HB3  GLU  94           HB1      GLU  94   6.568   2.251  -4.720
  749    HG2  GLU  94           HG2      GLU  94   4.796   0.885  -2.734
  750    HG3  GLU  94           HG1      GLU  94   4.809   0.691  -4.473
  751    H    HIS  95           HN       HIS  95   8.228   3.398  -4.736
  752    HA   HIS  95           HA       HIS  95  10.008   1.293  -5.238
  753    HB2  HIS  95           HB2      HIS  95   9.184   3.619  -6.764
  754    HB3  HIS  95           HB1      HIS  95  10.472   2.611  -7.433
  755    HD1  HIS  95           HD1      HIS  95   8.613   2.168  -9.480
  756    HD2  HIS  95           HD2      HIS  95   7.665   0.410  -5.809
  757    HE1  HIS  95           HE1      HIS  95   6.815   0.481  -9.937
  758    HE2  HIS  95           HE2      HIS  95   6.298  -0.579  -7.726
  759    H    HIS  96           HN       HIS  96  12.141   1.619  -6.098
  760    HA   HIS  96           HA       HIS  96  14.140   2.149  -4.392
  761    HB2  HIS  96           HB2      HIS  96  14.276   0.880  -6.450
  762    HB3  HIS  96           HB1      HIS  96  14.230   2.356  -7.393
  763    HD1  HIS  96           HD1      HIS  96  16.477   3.141  -8.138
  764    HD2  HIS  96           HD2      HIS  96  16.727   0.771  -4.754
  765    HE1  HIS  96           HE1      HIS  96  18.924   2.830  -7.708
  766    HE2  HIS  96           HE2      HIS  96  19.044   1.548  -5.572
  767    H    HIS  97           HN       HIS  97  12.412   4.767  -5.328
  768    HA   HIS  97           HA       HIS  97  14.163   6.728  -4.419
  769    HB2  HIS  97           HB2      HIS  97  15.320   6.361  -6.603
  770    HB3  HIS  97           HB1      HIS  97  13.811   6.712  -7.435
  771    HD1  HIS  97           HD1      HIS  97  13.772   9.024  -8.366
  772    HD2  HIS  97           HD2      HIS  97  16.139   8.770  -4.959
  773    HE1  HIS  97           HE1      HIS  97  14.734  11.289  -8.052
  774    HE2  HIS  97           HE2      HIS  97  16.440  10.968  -6.266
  775    H    HIS  98           HN       HIS  98  11.952   6.685  -7.162
  776    HA   HIS  98           HA       HIS  98  10.051   7.684  -7.643
  777    HB2  HIS  98           HB2      HIS  98   9.132   6.102  -5.969
  778    HB3  HIS  98           HB1      HIS  98   9.390   7.303  -4.714
  779    HD1  HIS  98           HD1      HIS  98   7.081   6.393  -7.500
  780    HD2  HIS  98           HD2      HIS  98   7.449   9.404  -4.678
  781    HE1  HIS  98           HE1      HIS  98   4.904   7.610  -7.528
  782    HE2  HIS  98           HE2      HIS  98   5.237   9.547  -5.970
  783    H    HIS  99           HN       HIS  99  10.390   9.073  -4.387
  784    HA   HIS  99           HA       HIS  99  10.315  11.168  -3.605
  785    HB2  HIS  99           HB2      HIS  99  12.497  11.353  -4.756
  786    HB3  HIS  99           HB1      HIS  99  11.677  11.881  -6.217
  787    HD1  HIS  99           HD1      HIS  99  10.692  14.335  -6.200
  788    HD2  HIS  99           HD2      HIS  99  12.881  13.301  -2.821
  789    HE1  HIS  99           HE1      HIS  99  11.169  16.476  -5.028
  790    HE2  HIS  99           HE2      HIS  99  12.811  15.834  -3.280
  791    H    HIS 100           HN       HIS 100   8.429  12.143  -3.327
  792    HA   HIS 100           HA       HIS 100   6.912  12.910  -5.696
  793    HB2  HIS 100           HB2      HIS 100   5.704  11.583  -3.997
  794    HB3  HIS 100           HB1      HIS 100   6.074  12.790  -2.776
  795    HD1  HIS 100           HD1      HIS 100   4.905  15.143  -3.112
  796    HD2  HIS 100           HD2      HIS 100   3.412  12.093  -5.479
  797    HE1  HIS 100           HE1      HIS 100   2.722  15.981  -3.973
  798    HE2  HIS 100           HE2      HIS 100   1.697  13.983  -5.027
  Start of MODEL   10
    1    H1   GLY   2           HT1      GLY   2   6.926   5.650   5.615
    2    H2   GLY   2           HT2      GLY   2   6.165   5.614   4.111
    3    H3   GLY   2           HT3      GLY   2   6.756   4.207   4.719
    4    HA2  GLY   2           HA1      GLY   2   4.328   4.316   5.011
    5    HA3  GLY   2           HA2      GLY   2   4.990   4.484   6.630
    6    H    ILE   3           HN       ILE   3   2.458   5.337   5.905
    7    HA   ILE   3           HA       ILE   3   2.631   8.057   5.274
    8    HB   ILE   3           HB       ILE   3   0.211   8.164   5.413
    9   HG12  ILE   3          HG12      ILE   3   0.337   5.290   6.371
   10   HG13  ILE   3          HG11      ILE   3  -0.420   6.674   7.166
   11   HG21  ILE   3          HG21      ILE   3   1.295   7.372   3.369
   12   HG22  ILE   3          HG22      ILE   3  -0.240   6.511   3.639
   13   HG23  ILE   3          HG23      ILE   3   1.298   5.772   4.127
   14   HD11  ILE   3          HD11      ILE   3  -1.264   5.444   4.593
   15   HD12  ILE   3          HD12      ILE   3  -2.034   6.817   5.366
   16   HD13  ILE   3          HD13      ILE   3  -2.073   5.218   6.151
   17    H    LYS   4           HN       LYS   4   3.763   7.266   7.794
   18    HA   LYS   4           HA       LYS   4   1.986   7.945   9.925
   19    HB2  LYS   4           HB2      LYS   4   3.826   6.228   9.983
   20    HB3  LYS   4           HB1      LYS   4   4.969   7.557   9.966
   21    HG2  LYS   4           HG2      LYS   4   4.254   8.288  12.120
   22    HG3  LYS   4           HG1      LYS   4   2.897   7.154  12.102
   23    HD2  LYS   4           HD2      LYS   4   4.493   5.280  12.003
   24    HD3  LYS   4           HD1      LYS   4   5.821   6.432  12.102
   25    HE2  LYS   4           HE2      LYS   4   5.110   7.134  14.287
   26    HE3  LYS   4           HE1      LYS   4   3.664   6.130  14.178
   27    HZ1  LYS   4           HZ1      LYS   4   5.104   4.177  14.096
   28    HZ2  LYS   4           HZ2      LYS   4   5.394   5.055  15.502
   29    HZ3  LYS   4           HZ3      LYS   4   6.464   5.141  14.226
   30    H    GLN   5           HN       GLN   5   3.768   9.691   7.728
   31    HA   GLN   5           HA       GLN   5   3.675  12.090   9.424
   32    HB2  GLN   5           HB2      GLN   5   5.559  12.960   8.163
   33    HB3  GLN   5           HB1      GLN   5   5.975  11.408   8.871
   34    HG2  GLN   5           HG2      GLN   5   5.598  10.322   6.709
   35    HG3  GLN   5           HG1      GLN   5   5.188  11.885   6.002
   36   HE21  GLN   5          HE21      GLN   5   7.699   9.827   7.137
   37   HE22  GLN   5          HE22      GLN   5   9.010  10.820   6.627
   38    H    TYR   6           HN       TYR   6   1.949  10.634   7.154
   39    HA   TYR   6           HA       TYR   6   1.779  12.886   5.311
   40    HB2  TYR   6           HB2      TYR   6   1.068  10.033   5.066
   41    HB3  TYR   6           HB1      TYR   6   0.051  11.173   4.207
   42    HD1  TYR   6           HD1      TYR   6   1.818  13.122   3.124
   43    HD2  TYR   6           HD2      TYR   6   2.477   8.955   3.590
   44    HE1  TYR   6           HE1      TYR   6   3.349  13.168   1.217
   4