*HEADER    TRANSFERASE                             07-FEB-13   2M4K              
*TITLE     SOLUTION STRUCTURE OF THE DELTA SUBUNIT OF RNA POLYMERASE FROM        
*TITLE    2 BACILLUS SUBTILIS                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA-DIRECTED RNA POLYMERASE SUBUNIT DELTA;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RNAP DELTA FACTOR;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS;              
*SOURCE   3 ORGANISM_TAXID: 224308;                                              
*SOURCE   4 STRAIN: 168;                                                         
*SOURCE   5 GENE: RPOE, BSU37160;                                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: BL21(DE3)                                  
*KEYWDS    DELTA SUBUNIT, RNA POLYMERASE, TRANSFERASE                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    V.PAPOUSKOVA, J.NOVACEK, P.KADERAVEK, L.ZIDEK, A.RABATINOVA,          
*AUTHOR   2 H.SANDEROVA, L.KRASNY, V.SKLENAR                                     
*REVDAT   1   09-OCT-13 2M4K    0                                                


! 1. K 4 Phi -76.76 +/- 34.20 (-110.96 to -42.56)

assign (resid   3 and name  C) (resid   4 and name  N) 
       (resid   4 and name CA) (resid   4 and name  C) 1.0   -76.76    34.20 2

! 2. S 7 Phi -91.06 +/- 56.90 (-147.96 to -34.16)

assign (resid   6 and name  C) (resid   7 and name  N) 
       (resid   7 and name CA) (resid   7 and name  C) 1.0   -91.06    56.90 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 -62.11 +/- 11.52 (-73.63 to -50.59)

assign (resid   8 and name  C) (resid   9 and name  N) 
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -62.11    11.52 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 -66.43 +/- 19.72 (-86.15 to -46.71)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0   -66.43    19.72 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. 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

! 10. 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

! 11. 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

! 12. E 18 Phi -69.22 +/- 13.94 (-83.16 to -55.28)

assign (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (resid  18 and name  C) 1.0   -69.22    13.94 2

! 13. I 19 Phi -63.70 +/- 8.10 (-71.80 to -55.60)

assign (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (resid  19 and name  C) 1.0   -63.70     8.10 2

! 14. A 20 Phi -61.76 +/- 7.94 (-69.70 to -53.82)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0   -61.76     7.94 2

! 15. H 21 Phi -60.31 +/- 6.14 (-66.45 to -54.17)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -60.31     6.14 2

! 16. E 22 Phi -65.02 +/- 9.42 (-74.44 to -55.60)

assign (resid  21 and name  C) (resid  22 and name  N) 
       (resid  22 and name CA) (resid  22 and name  C) 1.0   -65.02     9.42 2

! 17. 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

! 18. 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

! 19. 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

! 20. E 26 Phi -71.48 +/- 15.68 (-87.16 to -55.80)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0   -71.48    15.68 2

! 21. H 27 Phi -80.80 +/- 45.58 (-126.38 to -35.22)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0   -80.80    45.58 2

! 22. K 29 Phi -124.21 +/- 28.10 (-152.31 to -96.11)

assign (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (resid  29 and name  C) 1.0  -124.21    28.10 2

! 23. P 30 Phi -100.98 +/- 32.28 (-133.26 to -68.70)

assign (resid  29 and name  C) (resid  30 and name  N) 
       (resid  30 and name CA) (resid  30 and name  C) 1.0  -100.98    32.28 2

! 24. V 31 Phi -132.48 +/- 15.30 (-147.78 to -117.18)

assign (resid  30 and name  C) (resid  31 and name  N) 
       (resid  31 and name CA) (resid  31 and name  C) 1.0  -132.48    15.30 2

! 25. P 32 Phi -94.37 +/- 62.14 (-156.51 to -32.23)

assign (resid  31 and name  C) (resid  32 and name  N) 
       (resid  32 and name CA) (resid  32 and name  C) 1.0   -94.37    62.14 2

! 26. F 33 Phi -53.46 +/- 7.60 (-61.06 to -45.86)

assign (resid  32 and name  C) (resid  33 and name  N) 
       (resid  33 and name CA) (resid  33 and name  C) 1.0   -53.46     7.60 2

! 27. 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

! 28. E 35 Phi -66.68 +/- 12.50 (-79.18 to -54.18)

assign (resid  34 and name  C) (resid  35 and name  N) 
       (resid  35 and name CA) (resid  35 and name  C) 1.0   -66.68    12.50 2

! 29. L 36 Phi -61.22 +/- 7.30 (-68.52 to -53.92)

assign (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (resid  36 and name  C) 1.0   -61.22     7.30 2

! 30. L 37 Phi -60.23 +/- 12.26 (-72.49 to -47.97)

assign (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (resid  37 and name  C) 1.0   -60.23    12.26 2

! 31. N 38 Phi -65.42 +/- 12.06 (-77.48 to -53.36)

assign (resid  37 and name  C) (resid  38 and name  N) 
       (resid  38 and name CA) (resid  38 and name  C) 1.0   -65.42    12.06 2

! 32. 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

! 33. I 40 Phi -63.71 +/- 6.56 (-70.27 to -57.15)

assign (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0   -63.71     6.56 2

! 34. 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

! 35. S 42 Phi -63.93 +/- 8.24 (-72.17 to -55.69)

assign (resid  41 and name  C) (resid  42 and name  N) 
       (resid  42 and name CA) (resid  42 and name  C) 1.0   -63.93     8.24 2

! 36. L 43 Phi -62.71 +/- 6.24 (-68.95 to -56.47)

assign (resid  42 and name  C) (resid  43 and name  N) 
       (resid  43 and name CA) (resid  43 and name  C) 1.0   -62.71     6.24 2

! 37. 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

! 38. 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

! 39. 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

! 40. 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

! 41. 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

! 42. L 51 Phi -72.23 +/- 31.20 (-103.43 to -41.03)

assign (resid  50 and name  C) (resid  51 and name  N) 
       (resid  51 and name CA) (resid  51 and name  C) 1.0   -72.23    31.20 2

! 43. G 52 Phi -61.23 +/- 18.48 (-79.71 to -42.75)

assign (resid  51 and name  C) (resid  52 and name  N) 
       (resid  52 and name CA) (resid  52 and name  C) 1.0   -61.23    18.48 2

! 44. D 53 Phi -66.72 +/- 19.26 (-85.98 to -47.46)

assign (resid  52 and name  C) (resid  53 and name  N) 
       (resid  53 and name CA) (resid  53 and name  C) 1.0   -66.72    19.26 2

! 45. 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

! 46. I 55 Phi -63.47 +/- 11.12 (-74.59 to -52.35)

assign (resid  54 and name  C) (resid  55 and name  N) 
       (resid  55 and name CA) (resid  55 and name  C) 1.0   -63.47    11.12 2

! 47. A 56 Phi -62.48 +/- 13.88 (-76.36 to -48.60)

assign (resid  55 and name  C) (resid  56 and name  N) 
       (resid  56 and name CA) (resid  56 and name  C) 1.0   -62.48    13.88 2

! 48. 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

! 49. F 58 Phi -85.04 +/- 44.44 (-129.48 to -40.60)

assign (resid  57 and name  C) (resid  58 and name  N) 
       (resid  58 and name CA) (resid  58 and name  C) 1.0   -85.04    44.44 2

! 50. Y 59 Phi -62.01 +/- 8.34 (-70.35 to -53.67)

assign (resid  58 and name  C) (resid  59 and name  N) 
       (resid  59 and name CA) (resid  59 and name  C) 1.0   -62.01     8.34 2

! 51. 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

! 52. D 61 Phi -63.62 +/- 14.96 (-78.58 to -48.66)

assign (resid  60 and name  C) (resid  61 and name  N) 
       (resid  61 and name CA) (resid  61 and name  C) 1.0   -63.62    14.96 2

! 53. L 62 Phi -64.52 +/- 9.90 (-74.42 to -54.62)

assign (resid  61 and name  C) (resid  62 and name  N) 
       (resid  62 and name CA) (resid  62 and name  C) 1.0   -64.52     9.90 2

! 54. N 63 Phi -79.90 +/- 21.16 (-101.06 to -58.74)

assign (resid  62 and name  C) (resid  63 and name  N) 
       (resid  63 and name CA) (resid  63 and name  C) 1.0   -79.90    21.16 2

! 55. I 64 Phi -91.89 +/- 22.02 (-113.91 to -69.87)

!assign (resid  63 and name  C) (resid  64 and name  N) 
!       (resid  64 and name CA) (resid  64 and name  C) 1.0   -91.89    22.02 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 -87.25 +/- 27.78 (-115.03 to -59.47)

assign (resid  69 and name  C) (resid  70 and name  N) 
       (resid  70 and name CA) (resid  70 and name  C) 1.0   -87.25    27.78 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. D 73 Phi -93.19 +/- 28.18 (-121.37 to -65.01)

assign (resid  72 and name  C) (resid  73 and name  N) 
       (resid  73 and name CA) (resid  73 and name  C) 1.0   -93.19    28.18 2

! 60. W 76 Phi -134.16 +/- 38.06 (-172.22 to -96.10)

assign (resid  75 and name  C) (resid  76 and name  N) 
       (resid  76 and name CA) (resid  76 and name  C) 1.0  -134.16    38.06 2

! 61. R 79 Phi -59.73 +/- 14.86 (-74.59 to -44.87)

assign (resid  78 and name  C) (resid  79 and name  N) 
       (resid  79 and name CA) (resid  79 and name  C) 1.0   -59.73    14.86 2

! 62. S 80 Phi -72.29 +/- 32.52 (-104.81 to -39.77)

assign (resid  79 and name  C) (resid  80 and name  N) 
       (resid  80 and name CA) (resid  80 and name  C) 1.0   -72.29    32.52 2

! 63. Y 82 Phi -125.90 +/- 56.18 (-182.08 to -69.72)

assign (resid  81 and name  C) (resid  82 and name  N) 
       (resid  82 and name CA) (resid  82 and name  C) 1.0  -125.90    56.18 2

! 64. D 109 Phi -67.58 +/- 42.92 (-110.50 to -24.66)

assign (resid 108 and name  C) (resid 109 and name  N) 
       (resid 109 and name CA) (resid 109 and name  C) 1.0   -67.58    42.92 2


! 65. K 4 Psi -12.60 +/- 43.22 (-55.82 to 30.62)

assign (resid   4 and name  N) (resid   4 and name CA) 
       (resid   4 and name  C) (resid   5 and name  N) 1.0   -12.60    43.22 2

! 66. S 7 Psi 162.40 +/- 19.98 (142.42 to 182.38)

assign (resid   7 and name  N) (resid   7 and name CA) 
       (resid   7 and name  C) (resid   8 and name  N) 1.0   162.40    19.98 2

! 67. 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

! 68. E 9 Psi -41.18 +/- 12.50 (-53.68 to -28.68)

assign (resid   9 and name  N) (resid   9 and name CA) 
       (resid   9 and name  C) (resid  10 and name  N) 1.0   -41.18    12.50 2

! 69. 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

! 70. 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

! 71. K 12 Psi -23.14 +/- 19.44 (-42.58 to -3.70)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   -23.14    19.44 2

! 72. 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

! 73. 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

! 74. 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

! 75. 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

! 76. E 18 Psi -36.65 +/- 22.74 (-59.39 to -13.91)

assign (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (resid  19 and name  N) 1.0   -36.65    22.74 2

! 77. I 19 Psi -44.32 +/- 9.70 (-54.02 to -34.62)

assign (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (resid  20 and name  N) 1.0   -44.32     9.70 2

! 78. A 20 Psi -40.43 +/- 21.66 (-62.09 to -18.77)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   -40.43    21.66 2

! 79. H 21 Psi -44.65 +/- 8.94 (-53.59 to -35.71)

assign (resid  21 and name  N) (resid  21 and name CA) 
       (resid  21 and name  C) (resid  22 and name  N) 1.0   -44.65     8.94 2

! 80. E 22 Psi -38.37 +/- 10.52 (-48.89 to -27.85)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   -38.37    10.52 2

! 81. 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

! 82. 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

! 83. 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

! 84. E 26 Psi -35.49 +/- 16.78 (-52.27 to -18.71)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   -35.49    16.78 2

! 85. H 27 Psi -11.41 +/- 34.58 (-45.99 to 23.17)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   -11.41    34.58 2

! 86. K 29 Psi 154.02 +/- 26.36 (127.66 to 180.38)

assign (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (resid  30 and name  N) 1.0   154.02    26.36 2

! 87. P 30 Psi 133.49 +/- 24.58 (108.91 to 158.07)

assign (resid  30 and name  N) (resid  30 and name CA) 
       (resid  30 and name  C) (resid  31 and name  N) 1.0   133.49    24.58 2

! 88. V 31 Psi 159.42 +/- 26.68 (132.74 to 186.10)

assign (resid  31 and name  N) (resid  31 and name CA) 
       (resid  31 and name  C) (resid  32 and name  N) 1.0   159.42    26.68 2

! 89. P 32 Psi 133.38 +/- 20.72 (112.66 to 154.10)

assign (resid  32 and name  N) (resid  32 and name CA) 
       (resid  32 and name  C) (resid  33 and name  N) 1.0   133.38    20.72 2

! 90. F 33 Psi -44.85 +/- 18.12 (-62.97 to -26.73)

assign (resid  33 and name  N) (resid  33 and name CA) 
       (resid  33 and name  C) (resid  34 and name  N) 1.0   -44.85    18.12 2

! 91. 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

! 92. E 35 Psi -42.02 +/- 14.54 (-56.56 to -27.48)

assign (resid  35 and name  N) (resid  35 and name CA) 
       (resid  35 and name  C) (resid  36 and name  N) 1.0   -42.02    14.54 2

! 93. L 36 Psi -44.89 +/- 11.18 (-56.07 to -33.71)

assign (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (resid  37 and name  N) 1.0   -44.89    11.18 2

! 94. L 37 Psi -40.20 +/- 16.56 (-56.76 to -23.64)

assign (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (resid  38 and name  N) 1.0   -40.20    16.56 2

! 95. N 38 Psi -40.37 +/- 14.66 (-55.03 to -25.71)

assign (resid  38 and name  N) (resid  38 and name CA) 
       (resid  38 and name  C) (resid  39 and name  N) 1.0   -40.37    14.66 2

! 96. 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

! 97. I 40 Psi -43.76 +/- 12.88 (-56.64 to -30.88)

assign (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0   -43.76    12.88 2

! 98. 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

! 99. S 42 Psi -42.13 +/- 14.96 (-57.09 to -27.17)

assign (resid  42 and name  N) (resid  42 and name CA) 
       (resid  42 and name  C) (resid  43 and name  N) 1.0   -42.13    14.96 2

! 100. L 43 Psi -31.83 +/- 20.58 (-52.41 to -11.25)

assign (resid  43 and name  N) (resid  43 and name CA) 
       (resid  43 and name  C) (resid  44 and name  N) 1.0   -31.83    20.58 2

! 101. 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

! 102. 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

! 103. K 48 Psi -42.39 +/- 16.14 (-58.53 to -26.25)

assign (resid  48 and name  N) (resid  48 and name CA) 
       (resid  48 and name  C) (resid  49 and name  N) 1.0   -42.39    16.14 2

! 104. 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

! 105. 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

! 106. L 51 Psi -31.36 +/- 27.72 (-59.08 to -3.64)

!assign (resid  51 and name  N) (resid  51 and name CA) 
!       (resid  51 and name  C) (resid  52 and name  N) 1.0   -31.36    27.72 2

! 107. G 52 Psi -40.56 +/- 17.58 (-58.14 to -22.98)

assign (resid  52 and name  N) (resid  52 and name CA) 
       (resid  52 and name  C) (resid  53 and name  N) 1.0   -40.56    17.58 2

! 108. D 53 Psi -40.94 +/- 13.16 (-54.10 to -27.78)

assign (resid  53 and name  N) (resid  53 and name CA) 
       (resid  53 and name  C) (resid  54 and name  N) 1.0   -40.94    13.16 2

! 109. 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

! 110. I 55 Psi -41.31 +/- 12.90 (-54.21 to -28.41)

assign (resid  55 and name  N) (resid  55 and name CA) 
       (resid  55 and name  C) (resid  56 and name  N) 1.0   -41.31    12.90 2

! 111. A 56 Psi -38.30 +/- 13.40 (-51.70 to -24.90)

assign (resid  56 and name  N) (resid  56 and name CA) 
       (resid  56 and name  C) (resid  57 and name  N) 1.0   -38.30    13.40 2

! 112. 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

! 113. F 58 Psi -24.78 +/- 53.10 (-77.88 to 28.32)

assign (resid  58 and name  N) (resid  58 and name CA) 
       (resid  58 and name  C) (resid  59 and name  N) 1.0   -24.78    53.10 2

! 114. Y 59 Psi -42.29 +/- 13.22 (-55.51 to -29.07)

assign (resid  59 and name  N) (resid  59 and name CA) 
       (resid  59 and name  C) (resid  60 and name  N) 1.0   -42.29    13.22 2

! 115. 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

! 116. D 61 Psi -40.81 +/- 23.68 (-64.49 to -17.13)

assign (resid  61 and name  N) (resid  61 and name CA) 
       (resid  61 and name  C) (resid  62 and name  N) 1.0   -40.81    23.68 2

! 117. L 62 Psi -46.28 +/- 12.90 (-59.18 to -33.38)

assign (resid  62 and name  N) (resid  62 and name CA) 
       (resid  62 and name  C) (resid  63 and name  N) 1.0   -46.28    12.90 2

! 118. N 63 Psi -26.86 +/- 24.70 (-51.56 to -2.16)

assign (resid  63 and name  N) (resid  63 and name CA) 
       (resid  63 and name  C) (resid  64 and name  N) 1.0   -26.86    24.70 2

! 119. I 64 Psi -23.12 +/- 28.96 (-52.08 to 5.84)

assign (resid  64 and name  N) (resid  64 and name CA) 
       (resid  64 and name  C) (resid  65 and name  N) 1.0   -23.12    28.96 2

! 120. 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

! 121. A 70 Psi 112.62 +/- 38.32 (74.30 to 150.94)

assign (resid  70 and name  N) (resid  70 and name CA) 
       (resid  70 and name  C) (resid  71 and name  N) 1.0   112.62    38.32 2

! 122. 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

! 123. D 73 Psi 12.79 +/- 27.00 (-14.21 to 39.79)

assign (resid  73 and name  N) (resid  73 and name CA) 
       (resid  73 and name  C) (resid  74 and name  N) 1.0    12.79    27.00 2

! 124. W 76 Psi 156.78 +/- 31.72 (125.06 to 188.50)

assign (resid  76 and name  N) (resid  76 and name CA) 
       (resid  76 and name  C) (resid  77 and name  N) 1.0   156.78    31.72 2

! 125. R 79 Psi -33.80 +/- 26.66 (-60.46 to -7.14)

assign (resid  79 and name  N) (resid  79 and name CA) 
       (resid  79 and name  C) (resid  80 and name  N) 1.0   -33.80    26.66 2

! 126. S 80 Psi -9.58 +/- 30.20 (-39.78 to 20.62)

assign (resid  80 and name  N) (resid  80 and name CA) 
       (resid  80 and name  C) (resid  81 and name  N) 1.0    -9.58    30.20 2

! 127. Y 82 Psi 136.48 +/- 63.00 (73.48 to 199.48)

assign (resid  82 and name  N) (resid  82 and name CA) 
       (resid  82 and name  C) (resid  83 and name  N) 1.0   136.48    63.00 2

! 128. D 109 Psi -18.18 +/- 44.34 (-62.52 to 26.16)

assign (resid 109 and name  N) (resid 109 and name CA) 
       (resid 109 and name  C) (resid 110 and name  N) 1.0   -18.18    44.34 2

do (store1 = 0) (all)
do (store1 = 1) (id 5)
do (store1 = 1) (id 19)
do (store1 = 1) (id 23)
do (store1 = 1) (id 45)
do (store1 = 1) (id 156)
do (store1 = 1) (id 160)
do (store1 = 1) (id 182)
do (store1 = 1) (id 214)
do (store1 = 1) (id 224)
do (store1 = 1) (id 239)
do (store1 = 1) (id 243)
do (store1 = 1) (id 255)
do (store1 = 1) (id 259)
do (store1 = 1) (id 289)
do (store1 = 1) (id 293)
do (store1 = 1) (id 303)
do (store1 = 1) (id 351)
do (store1 = 1) (id 355)
do (store1 = 1) (id 445)
do (store1 = 1) (id 467)
do (store1 = 1) (id 493)
do (store1 = 1) (id 497)
do (store1 = 1) (id 578)
do (store1 = 1) (id 582)
do (store1 = 1) (id 597)
do (store1 = 1) (id 601)
do (store1 = 1) (id 645)
do (store1 = 1) (id 649)
do (store1 = 1) (id 659)
do (store1 = 1) (id 685)
do (store1 = 1) (id 689)
do (store1 = 1) (id 704)
do (store1 = 1) (id 708)
do (store1 = 1) (id 727)
do (store1 = 1) (id 731)
do (store1 = 1) (id 753)
do (store1 = 1) (id 775)
do (store1 = 1) (id 820)
do (store1 = 1) (id 824)
do (store1 = 1) (id 882)
do (store1 = 1) (id 886)
do (store1 = 1) (id 896)
do (store1 = 1) (id 968)
do (store1 = 1) (id 995)
do (store1 = 1) (id 999)
do (store1 = 1) (id 1028)
do (store1 = 1) (id 1032)
do (store1 = 1) (id 1110)
do (store1 = 1) (id 1114)
do (store1 = 1) (id 1124)
do (store1 = 1) (id 1139)
do (store1 = 1) (id 1143)
do (store1 = 1) (id 1197)
do (store1 = 1) (id 1243)
do (store1 = 1) (id 1247)
do (store1 = 1) (id 1406)
do (store1 = 1) (id 1410)
do (store1 = 1) (id 1466)
do (store1 = 1) (id 1511)
do (store1 = 1) (id 1523)
do (store1 = 1) (id 1527)
do (store1 = 1) (id 1549)
do (store1 = 1) (id 1559)
do (store1 = 1) (id 1581)
do (store1 = 1) (id 1603)
do (store1 = 1) (id 1625)
do (store1 = 1) (id 1647)
do (store1 = 1) (id 1657)
do (store1 = 1) (id 1679)
do (store1 = 1) (id 1701)
do (store1 = 1) (id 1711)
do (store1 = 1) (id 1723)
do (store1 = 1) (id 1727)
do (store1 = 1) (id 1784)
do (store1 = 1) (id 1788)
do (store1 = 1) (id 1815)
do (store1 = 1) (id 1819)
do (store1 = 1) (id 1911)
do (store1 = 1) (id 1915)
do (store1 = 1) (id 1981)
do (store1 = 1) (id 1985)
do (store1 = 1) (id 2012)
do (store1 = 1) (id 2016)
do (store1 = 1) (id 2055)
do (store1 = 1) (id 2059)
do (store1 = 1) (id 2119)
do (store1 = 1) (id 2123)
do (store1 = 1) (id 2150)
do (store1 = 1) (id 2154)
do (store1 = 1) (id 2179)
do (store1 = 1) (id 2292)
do (store1 = 1) (id 2296)
do (store1 = 1) (id 2386)
do (store1 = 1) (id 2390)
do (store1 = 1) (id 2420)
do (store1 = 1) (id 2424)
do (store1 = 1) (id 2481)
do (store1 = 1) (id 2485)
do (store1 = 1) (id 2500)
do (store1 = 1) (id 2504)
do (store1 = 1) (id 2702)
do (store1 = 1) (id 2706)
do (store1 = 1) (id 2727)
assign (resid 2 and name HA1) (resid 5 and name HN) 3.121 1.218 2.718 weight 1.000 ! spec=HCH_al, no=115, id=2008, vol=2.560000e+06
assign (resid 3 and name HN) (resid 3 and name HB) 2.769 0.958 2.458 weight 1.000 ! spec=HCH_al, no=127, id=2013, vol=5.250000e+06
assign (resid 119 and name HN) (resid 118 and name HB) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=128, id=2014, vol=1.280000e+07
assign (resid 5 and name HN) (resid 3 and name HB) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=129, id=2015, vol=1.890000e+06
assign (resid 3 and name HB) (resid 2 and name HA2) 3.177 1.262 2.762 weight 1.000 ! spec=HCH_al, no=130, id=2016, vol=2.300000e+06
assign (resid 3 and name HN) (resid 3 and name HG12) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=134, id=2019, vol=1.580000e+06
assign (resid 3 and name HG12) (resid 4 and name HN) 3.242 1.313 2.813 weight 1.000 ! spec=HCH_al, no=135, id=2020, vol=2.040000e+06
assign (resid 79 and name HG1) (resid 79 and name HE) 3.054 1.165 2.665 weight 1.000 ! spec=HCH_al, no=136, id=2021, vol=2.920000e+06
assign (resid 3 and name HG12) (resid 3 and name HA) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=137, id=2022, vol=1.240000e+07
assign (resid 3 and name HG12) (resid 22 and name HB2) 3.494 1.526 3.026 weight 1.000 ! spec=HCH_al, no=138, id=2023, vol=1.300000e+06
    or (resid    3 and name HG12) (resid   22 and name  HB1)
assign (resid 3 and name HG12) (resid 3 and name HB) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=139, id=2024, vol=1.390000e+07
assign (resid 3 and name HG11) (resid 6 and name HD1) 3.688 1.701 3.201 weight 1.000 ! spec=HCH_al, no=141, id=2026, vol=9.400000e+05
    or (resid    3 and name HG11) (resid    6 and name  HD2)
assign (resid 3 and name HG11) (resid 22 and name HB2) 3.129 1.224 2.724 weight 1.000 ! spec=HCH_al, no=142, id=2027, vol=2.520000e+06
    or (resid    3 and name HG11) (resid   22 and name  HB1)
assign (resid 3 and name HB) (resid 3 and name HG11) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=143, id=2028, vol=1.270000e+07
assign (resid 3 and name HG11) (resid 3 and name HG12) 1.982 0.491 1.991 weight 1.000 ! spec=HCH_al, no=144, id=2029, vol=3.910000e+07
assign (resid 4 and name HA) (resid 4 and name HN) 2.235 0.624 2.124 weight 1.000 ! spec=HCH_al, no=147, id=2031, vol=1.900000e+07
assign (resid 5 and name HN) (resid 4 and name HA) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=148, id=2032, vol=1.080000e+07
assign (resid 4 and name HA) (resid 4 and name HB2) 2.233 0.623 2.123 weight 1.000 ! spec=HCH_al, no=149, id=2033, vol=1.910000e+07
assign (resid 4 and name HA) (resid 4 and name HB1) 2.314 0.670 2.17 weight 1.000 ! spec=HCH_al, no=150, id=2034, vol=1.540000e+07
assign (resid 4 and name HA) (resid 4 and name HG2) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=151, id=2035, vol=6.350000e+06
assign (resid 4 and name HB2) (resid 5 and name HN) 2.993 1.120 2.62 weight 1.000 ! spec=HCH_al, no=155, id=2039, vol=3.290000e+06
assign (resid 4 and name HB2) (resid 5 and name HE21) 3.692 1.704 3.204 weight 1.000 ! spec=HCH_al, no=156, id=2040, vol=9.340000e+05
assign (resid 4 and name HB1) (resid 5 and name HN) 2.970 1.102 2.602 weight 1.000 ! spec=HCH_al, no=159, id=2043, vol=3.450000e+06
assign (resid 4 and name HG2) (resid 5 and name HN) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=161, id=2045, vol=3.180000e+06
assign (resid 5 and name HN) (resid 5 and name HG2) 2.508 0.787 2.287 weight 1.000 ! spec=HCH_al, no=165, id=2049, vol=9.500000e+06
assign (resid 5 and name HG2) (resid 6 and name HD1) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=167, id=2051, vol=2.010000e+06
    or (resid    5 and name  HG2) (resid    6 and name  HD2)
assign (resid 5 and name HN) (resid 5 and name HG1) 2.646 0.875 2.375 weight 1.000 ! spec=HCH_al, no=171, id=2054, vol=6.890000e+06
assign (resid 5 and name HE22) (resid 5 and name HG1) 2.970 1.102 2.602 weight 1.000 ! spec=HCH_al, no=173, id=2056, vol=3.450000e+06
assign (resid 5 and name HG1) (resid 5 and name HG2) 1.878 0.441 1.941 weight 1.000 ! spec=HCH_al, no=174, id=2057, vol=5.400000e+07
assign (resid 7 and name HN) (resid 6 and name HB2) 2.901 1.052 2.552 weight 1.000 ! spec=HCH_al, no=176, id=2058, vol=3.970000e+06
assign (resid 6 and name HB2) (resid 11 and name HG) 2.954 1.091 2.591 weight 1.000 ! spec=HCH_al, no=181, id=2062, vol=3.560000e+06
assign (resid 6 and name HN) (resid 6 and name HB1) 2.731 0.933 2.433 weight 1.000 ! spec=HCH_al, no=183, id=2064, vol=5.700000e+06
assign (resid 6 and name HB1) (resid 6 and name HA) 2.801 0.981 2.481 weight 1.000 ! spec=HCH_al, no=185, id=2066, vol=4.900000e+06
assign (resid 6 and name HB1) (resid 6 and name HB2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=186, id=2067, vol=1.260000e+07
assign (resid 6 and name HB1) (resid 10 and name HB1) 3.138 1.231 2.731 weight 1.000 ! spec=HCH_al, no=187, id=2068, vol=2.480000e+06
assign (resid 9 and name HN) (resid 7 and name HA) 2.978 1.109 2.609 weight 1.000 ! spec=HCH_al, no=190, id=2071, vol=3.390000e+06
assign (resid 8 and name HN) (resid 7 and name HB1) 2.864 1.025 2.525 weight 1.000 ! spec=HCH_al, no=192, id=2073, vol=4.290000e+06
assign (resid 9 and name HN) (resid 7 and name HB1) 3.059 1.170 2.67 weight 1.000 ! spec=HCH_al, no=193, id=2074, vol=2.890000e+06
assign (resid 7 and name HB1) (resid 7 and name HB2) 2.253 0.634 2.134 weight 1.000 ! spec=HCH_al, no=196, id=2077, vol=1.810000e+07
assign (resid 8 and name HN) (resid 8 and name HA) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=199, id=2079, vol=7.150000e+06
assign (resid 8 and name HA) (resid 9 and name HN) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=200, id=2080, vol=4.880000e+06
assign (resid 8 and name HA) (resid 11 and name HN) 2.791 0.974 2.474 weight 1.000 ! spec=HCH_al, no=201, id=2081, vol=5.010000e+06
assign (resid 8 and name HA) (resid 11 and name HB2) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=204, id=2083, vol=1.030000e+07
assign (resid 8 and name HA) (resid 11 and name HB1) 2.837 1.006 2.506 weight 1.000 ! spec=HCH_al, no=205, id=2084, vol=4.540000e+06
assign (resid 8 and name HB2) (resid 8 and name HA) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=207, id=2086, vol=1.600000e+07
assign (resid 19 and name HN) (resid 18 and name HB1) 3.182 1.266 2.766 weight 1.000 ! spec=HCH_al, no=208, id=2087, vol=2.280000e+06
assign (resid 8 and name HG2) (resid 8 and name HA) 2.241 0.628 2.128 weight 1.000 ! spec=HCH_al, no=214, id=2092, vol=1.870000e+07
assign (resid 8 and name HG2) (resid 11 and name HD12) 2.737 0.936 2.436 weight 1.000 ! spec=HCH_al, no=215, id=2093, vol=5.630000e+06
    or (resid    8 and name  HG2) (resid   11 and name HD11)
    or (resid    8 and name  HG2) (resid   11 and name HD13)
assign (resid 8 and name HG2) (resid 44 and name HD22) 3.009 1.132 2.632 weight 1.000 ! spec=HCH_al, no=216, id=2094, vol=3.190000e+06
    or (resid    8 and name  HG2) (resid   44 and name HD21)
    or (resid    8 and name  HG2) (resid   44 and name HD23)
    or (resid    8 and name  HG2) (resid   44 and name HD12)
    or (resid    8 and name  HG2) (resid   44 and name HD11)
    or (resid    8 and name  HG2) (resid   44 and name HD13)
assign (resid 74 and name HN) (resid 74 and name HG2) 2.610 0.851 2.351 weight 1.000 ! spec=HCH_al, no=218, id=2096, vol=7.490000e+06
    or (resid   74 and name   HN) (resid   74 and name  HG1)
assign (resid 8 and name HG1) (resid 8 and name HA) 2.188 0.598 2.098 weight 1.000 ! spec=HCH_al, no=221, id=2098, vol=2.160000e+07
assign (resid 8 and name HG1) (resid 12 and name HE2) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=222, id=2099, vol=5.180000e+06
    or (resid    8 and name  HG1) (resid   12 and name  HE1)
assign (resid 8 and name HG1) (resid 44 and name HD22) 3.236 1.309 2.809 weight 1.000 ! spec=HCH_al, no=223, id=2100, vol=2.060000e+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 9 and name HA) (resid 9 and name HG1) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=226, id=2103, vol=1.130000e+07
assign (resid 9 and name HA) (resid 9 and name HB1) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=228, id=2105, vol=1.600000e+07
assign (resid 9 and name HA) (resid 12 and name HG1) 3.146 1.237 2.737 weight 1.000 ! spec=HCH_al, no=230, id=2107, vol=2.440000e+06
assign (resid 49 and name HN) (resid 49 and name HG2) 2.622 0.859 2.359 weight 1.000 ! spec=HCH_al, no=231, id=2108, vol=7.290000e+06
assign (resid 9 and name HN) (resid 9 and name HG2) 2.514 0.790 2.29 weight 1.000 ! spec=HCH_al, no=232, id=2109, vol=9.370000e+06
assign (resid 50 and name HN) (resid 49 and name HG2) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=233, id=2110, vol=2.720000e+06
assign (resid 9 and name HA) (resid 9 and name HG2) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=235, id=2112, vol=1.380000e+07
assign (resid 9 and name HG2) (resid 9 and name HG1) 1.467 0.269 1.769 weight 1.000 ! spec=HCH_al, no=237, id=2114, vol=2.370000e+08
assign (resid 10 and name HA) (resid 11 and name HN) 2.851 1.016 2.516 weight 1.000 ! spec=HCH_al, no=243, id=2120, vol=4.410000e+06
assign (resid 10 and name HN) (resid 10 and name HA) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=244, id=2121, vol=1.040000e+07
assign (resid 10 and name HA) (resid 10 and name HG2) 2.219 0.616 2.116 weight 1.000 ! spec=HCH_al, no=246, id=2123, vol=1.980000e+07
    or (resid   10 and name   HA) (resid   10 and name  HG1)
assign (resid 10 and name HA) (resid 10 and name HB1) 2.369 0.701 2.201 weight 1.000 ! spec=HCH_al, no=247, id=2124, vol=1.340000e+07
assign (resid 10 and name HB2) (resid 6 and name HA) 3.166 1.253 2.753 weight 1.000 ! spec=HCH_al, no=251, id=2128, vol=2.350000e+06
assign (resid 10 and name HB2) (resid 6 and name HB2) 3.134 1.227 2.727 weight 1.000 ! spec=HCH_al, no=253, id=2130, vol=2.500000e+06
assign (resid 10 and name HB2) (resid 6 and name HB1) 3.420 1.462 2.962 weight 1.000 ! spec=HCH_al, no=254, id=2131, vol=1.480000e+06
assign (resid 7 and name HN) (resid 10 and name HB1) 2.934 1.076 2.576 weight 1.000 ! spec=HCH_al, no=255, id=2132, vol=3.710000e+06
assign (resid 10 and name HG2) (resid 6 and name HA) 3.038 1.154 2.654 weight 1.000 ! spec=HCH_al, no=256, id=2133, vol=3.010000e+06
    or (resid   10 and name  HG1) (resid    6 and name   HA)
assign (resid 11 and name HA) (resid 12 and name HN) 2.949 1.087 2.587 weight 1.000 ! spec=HCH_al, no=259, id=2136, vol=3.600000e+06
assign (resid 11 and name HA) (resid 14 and name HN) 3.138 1.231 2.731 weight 1.000 ! spec=HCH_al, no=260, id=2137, vol=2.480000e+06
assign (resid 11 and name HA) (resid 11 and name HB2) 2.618 0.857 2.357 weight 1.000 ! spec=HCH_al, no=264, id=2141, vol=7.350000e+06
assign (resid 11 and name HA) (resid 11 and name HG) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=265, id=2142, vol=3.180000e+06
assign (resid 11 and name HA) (resid 11 and name HB1) 2.498 0.780 2.28 weight 1.000 ! spec=HCH_al, no=266, id=2143, vol=9.730000e+06
assign (resid 11 and name HA) (resid 11 and name HD22) 2.293 0.657 2.157 weight 1.000 ! spec=HCH_al, no=267, id=2144, vol=1.630000e+07
    or (resid   11 and name   HA) (resid   11 and name HD21)
    or (resid   11 and name   HA) (resid   11 and name HD23)
assign (resid 44 and name HG) (resid 44 and name HD22) 2.099 0.551 2.051 weight 1.000 ! spec=HCH_al, no=270, id=2147, vol=2.770000e+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 HD12) (resid 12 and name HN) 2.676 0.895 2.395 weight 1.000 ! spec=HCH_al, no=271, id=2148, vol=6.450000e+06
    or (resid   11 and name HD11) (resid   12 and name   HN)
    or (resid   11 and name HD13) (resid   12 and name   HN)
assign (resid 69 and name HD12) (resid 79 and name HD2) 2.547 0.811 2.311 weight 1.000 ! spec=HCH_al, no=275, id=2152, vol=8.670000e+06
    or (resid   69 and name HD11) (resid   79 and name  HD2)
    or (resid   69 and name HD13) (resid   79 and name  HD2)
assign (resid 12 and name HN) (resid 12 and name HA) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=276, id=2153, vol=1.270000e+07
assign (resid 79 and name HA) (resid 79 and name HB1) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=281, id=2157, vol=1.450000e+07
assign (resid 12 and name HN) (resid 12 and name HG2) 2.492 0.776 2.276 weight 1.000 ! spec=HCH_al, no=289, id=2164, vol=9.880000e+06
assign (resid 12 and name HG2) (resid 12 and name HE2) 2.633 0.866 2.366 weight 1.000 ! spec=HCH_al, no=291, id=2166, vol=7.110000e+06
    or (resid   12 and name  HG2) (resid   12 and name  HE1)
assign (resid 12 and name HG2) (resid 8 and name HG1) 3.086 1.190 2.69 weight 1.000 ! spec=HCH_al, no=292, id=2167, vol=2.740000e+06
assign (resid 12 and name HN) (resid 12 and name HG1) 2.934 1.076 2.576 weight 1.000 ! spec=HCH_al, no=295, id=2169, vol=3.710000e+06
assign (resid 12 and name HG2) (resid 12 and name HG1) 1.686 0.355 1.855 weight 1.000 ! spec=HCH_al, no=296, id=2170, vol=1.030000e+08
assign (resid 49 and name HN) (resid 47 and name HD2) 2.802 0.981 2.481 weight 1.000 ! spec=HCH_al, no=298, id=2172, vol=4.890000e+06
    or (resid   49 and name   HN) (resid   47 and name  HD1)
assign (resid 79 and name HB2) (resid 79 and name HD2) 2.810 0.987 2.487 weight 1.000 ! spec=HCH_al, no=302, id=2176, vol=4.810000e+06
assign (resid 13 and name HN) (resid 13 and name HA) 2.553 0.815 2.315 weight 1.000 ! spec=HCH_al, no=303, id=2177, vol=8.540000e+06
assign (resid 13 and name HA) (resid 13 and name HB2) 1.950 0.475 1.975 weight 1.000 ! spec=HCH_al, no=305, id=2178, vol=4.310000e+07
assign (resid 13 and name HA) (resid 13 and name HB1) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=306, id=2179, vol=1.760000e+07
assign (resid 14 and name HN) (resid 13 and name HB2) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=307, id=2180, vol=2.080000e+06
assign (resid 13 and name HB2) (resid 10 and name HA) 3.261 1.329 2.829 weight 1.000 ! spec=HCH_al, no=310, id=2183, vol=1.970000e+06
assign (resid 13 and name HB1) (resid 14 and name HN) 3.175 1.260 2.76 weight 1.000 ! spec=HCH_al, no=311, id=2184, vol=2.310000e+06
assign (resid 13 and name HG2) (resid 14 and name HN) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=314, id=2187, vol=3.410000e+06
assign (resid 13 and name HN) (resid 13 and name HG2) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=315, id=2188, vol=1.390000e+07
assign (resid 13 and name HN) (resid 13 and name HG1) 2.384 0.710 2.21 weight 1.000 ! spec=HCH_al, no=321, id=2194, vol=1.290000e+07
assign (resid 15 and name HN) (resid 14 and name HA) 2.005 0.503 2.003 weight 1.000 ! spec=HCH_al, no=323, id=2196, vol=3.640000e+07
assign (resid 13 and name HN) (resid 14 and name HA) 3.069 1.178 2.678 weight 1.000 ! spec=HCH_al, no=324, id=2197, vol=2.830000e+06
assign (resid 14 and name HA) (resid 14 and name HG2) 2.518 0.793 2.293 weight 1.000 ! spec=HCH_al, no=325, id=2198, vol=9.280000e+06
assign (resid 15 and name HN) (resid 14 and name HB2) 2.669 0.890 2.39 weight 1.000 ! spec=HCH_al, no=327, id=2200, vol=6.550000e+06
    or (resid   15 and name   HN) (resid   14 and name  HB1)
assign (resid 19 and name HN) (resid 14 and name HB2) 3.365 1.415 2.915 weight 1.000 ! spec=HCH_al, no=328, id=2201, vol=1.630000e+06
    or (resid   19 and name   HN) (resid   14 and name  HB1)
assign (resid 14 and name HB2) (resid 14 and name HA) 2.550 0.813 2.313 weight 1.000 ! spec=HCH_al, no=331, id=2204, vol=8.600000e+06
    or (resid   14 and name  HB1) (resid   14 and name   HA)
assign (resid 14 and name HB2) (resid 19 and name HG12) 2.586 0.836 2.336 weight 1.000 ! spec=HCH_al, no=335, id=2207, vol=7.910000e+06
    or (resid   14 and name  HB1) (resid   19 and name HG12)
assign (resid 14 and name HN) (resid 14 and name HG2) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=339, id=2211, vol=9.060000e+06
assign (resid 13 and name HN) (resid 14 and name HG2) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=340, id=2212, vol=3.160000e+06
assign (resid 11 and name HA) (resid 14 and name HG2) 2.862 1.024 2.524 weight 1.000 ! spec=HCH_al, no=342, id=2214, vol=4.310000e+06
assign (resid 14 and name HB2) (resid 14 and name HG2) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=343, id=2215, vol=1.120000e+07
    or (resid   14 and name  HB1) (resid   14 and name  HG2)
assign (resid 15 and name HN) (resid 14 and name HG1) 2.832 1.002 2.502 weight 1.000 ! spec=HCH_al, no=346, id=2218, vol=4.590000e+06
assign (resid 14 and name HN) (resid 14 and name HG1) 2.674 0.894 2.394 weight 1.000 ! spec=HCH_al, no=347, id=2219, vol=6.470000e+06
assign (resid 14 and name HA) (resid 14 and name HG1) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=348, id=2220, vol=1.070000e+07
assign (resid 11 and name HA) (resid 14 and name HG1) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=349, id=2221, vol=2.760000e+06
assign (resid 14 and name HB2) (resid 14 and name HG1) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=351, id=2223, vol=1.190000e+07
    or (resid   14 and name  HB1) (resid   14 and name  HG1)
assign (resid 14 and name HG1) (resid 19 and name HD12) 2.939 1.080 2.58 weight 1.000 ! spec=HCH_al, no=353, id=2225, vol=3.670000e+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 15 and name HA) (resid 17 and name HN) 3.022 1.141 2.641 weight 1.000 ! spec=HCH_al, no=354, id=2226, vol=3.110000e+06
assign (resid 15 and name HA) (resid 15 and name HN) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=355, id=2227, vol=9.000000e+06
assign (resid 105 and name HA) (resid 108 and name HB1) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_al, no=358, id=2229, vol=3.620000e+06
assign (resid 15 and name HA) (resid 17 and name HG22) 3.304 1.364 2.864 weight 1.000 ! spec=HCH_al, no=361, id=2232, vol=1.820000e+06
    or (resid   15 and name   HA) (resid   17 and name HG21)
    or (resid   15 and name   HA) (resid   17 and name HG23)
    or (resid   15 and name   HA) (resid   17 and name HG12)
    or (resid   15 and name   HA) (resid   17 and name HG11)
    or (resid   15 and name   HA) (resid   17 and name HG13)
assign (resid 15 and name HN) (resid 15 and name HB2) 1.877 0.440 1.94 weight 1.000 ! spec=HCH_al, no=363, id=2234, vol=5.410000e+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 18 and name HN) (resid 15 and name HB2) 2.297 0.660 2.16 weight 1.000 ! spec=HCH_al, no=365, id=2236, vol=1.610000e+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 17 and name HN) (resid 16 and name HA) 3.064 1.174 2.674 weight 1.000 ! spec=HCH_al, no=368, id=2238, vol=2.860000e+06
assign (resid 20 and name HN) (resid 16 and name HA) 3.187 1.269 2.769 weight 1.000 ! spec=HCH_al, no=369, id=2239, vol=2.260000e+06
assign (resid 16 and name HN) (resid 16 and name HA) 2.657 0.882 2.382 weight 1.000 ! spec=HCH_al, no=370, id=2240, vol=6.730000e+06
assign (resid 19 and name HN) (resid 16 and name HA) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=371, id=2241, vol=3.120000e+06
assign (resid 18 and name HN) (resid 16 and name HA) 3.062 1.172 2.672 weight 1.000 ! spec=HCH_al, no=372, id=2242, vol=2.870000e+06
assign (resid 16 and name HA) (resid 19 and name HB) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=374, id=2243, vol=5.420000e+06
assign (resid 16 and name HA) (resid 19 and name HG12) 2.840 1.008 2.508 weight 1.000 ! spec=HCH_al, no=375, id=2244, vol=4.510000e+06
assign (resid 16 and name HA) (resid 16 and name HB2) 2.832 1.002 2.502 weight 1.000 ! spec=HCH_al, no=377, id=2246, vol=4.590000e+06
assign (resid 16 and name HA) (resid 17 and name HG22) 3.427 1.468 2.968 weight 1.000 ! spec=HCH_al, no=378, id=2247, vol=1.460000e+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 HA) (resid 16 and name HB1) 2.574 0.828 2.328 weight 1.000 ! spec=HCH_al, no=381, id=2250, vol=8.140000e+06
assign (resid 16 and name HB2) (resid 16 and name HG) 2.756 0.950 2.45 weight 1.000 ! spec=HCH_al, no=385, id=2254, vol=5.400000e+06
assign (resid 16 and name HB2) (resid 17 and name HG22) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=386, id=2255, vol=1.130000e+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) 3.424 1.465 2.965 weight 1.000 ! spec=HCH_al, no=387, id=2256, vol=1.470000e+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) 2.605 0.848 2.348 weight 1.000 ! spec=HCH_al, no=389, id=2258, vol=7.570000e+06
assign (resid 16 and name HN) (resid 16 and name HB1) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_al, no=390, id=2259, vol=3.030000e+06
assign (resid 16 and name HB1) (resid 17 and name HG22) 3.726 1.735 3.235 weight 1.000 ! spec=HCH_al, no=396, id=2264, vol=8.850000e+05
    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 HG) (resid 16 and name HA) 3.048 1.162 2.662 weight 1.000 ! spec=HCH_al, no=399, id=2267, vol=2.950000e+06
assign (resid 16 and name HB1) (resid 16 and name HG) 2.571 0.826 2.326 weight 1.000 ! spec=HCH_al, no=400, id=2268, vol=8.200000e+06
assign (resid 16 and name HD12) (resid 58 and name HE1) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=402, id=2270, vol=4.750000e+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 54 and name HG1) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=404, id=2272, vol=1.550000e+07
    or (resid   16 and name HD11) (resid   54 and name  HG1)
    or (resid   16 and name HD13) (resid   54 and name  HG1)
assign (resid 16 and name HD12) (resid 16 and name HG) 2.096 0.549 2.049 weight 1.000 ! spec=HCH_al, no=405, id=2273, vol=2.790000e+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 16 and name HB1) (resid 16 and name HD12) 2.072 0.537 2.037 weight 1.000 ! spec=HCH_al, no=406, id=2274, vol=2.990000e+07
    or (resid   16 and name  HB1) (resid   16 and name HD11)
    or (resid   16 and name  HB1) (resid   16 and name HD13)
assign (resid 15 and name HA) (resid 16 and name HD22) 2.654 0.881 2.381 weight 1.000 ! spec=HCH_al, no=407, id=2275, vol=6.770000e+06
    or (resid   15 and name   HA) (resid   16 and name HD21)
    or (resid   15 and name   HA) (resid   16 and name HD23)
assign (resid 16 and name HD22) (resid 54 and name HD1) 2.954 1.091 2.591 weight 1.000 ! spec=HCH_al, no=408, id=2276, vol=3.560000e+06
    or (resid   16 and name HD21) (resid   54 and name  HD1)
    or (resid   16 and name HD23) (resid   54 and name  HD1)
assign (resid 16 and name HD22) (resid 17 and name HB) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=409, id=2277, vol=2.580000e+06
    or (resid   16 and name HD21) (resid   17 and name   HB)
    or (resid   16 and name HD23) (resid   17 and name   HB)
assign (resid 16 and name HD22) (resid 17 and name HG22) 2.648 0.877 2.377 weight 1.000 ! spec=HCH_al, no=411, id=2279, vol=6.860000e+06
    or (resid   16 and name HD22) (resid   17 and name HG21)
    or (resid   16 and name HD22) (resid   17 and name HG23)
    or (resid   16 and name HD22) (resid   17 and name HG12)
    or (resid   16 and name HD22) (resid   17 and name HG11)
    or (resid   16 and name HD22) (resid   17 and name HG13)
    or (resid   16 and name HD21) (resid   17 and name HG22)
    or (resid   16 and name HD21) (resid   17 and name HG21)
    or (resid   16 and name HD21) (resid   17 and name HG23)
    or (resid   16 and name HD21) (resid   17 and name HG12)
    or (resid   16 and name HD21) (resid   17 and name HG11)
    or (resid   16 and name HD21) (resid   17 and name HG13)
    or (resid   16 and name HD23) (resid   17 and name HG22)
    or (resid   16 and name HD23) (resid   17 and name HG21)
    or (resid   16 and name HD23) (resid   17 and name HG23)
    or (resid   16 and name HD23) (resid   17 and name HG12)
    or (resid   16 and name HD23) (resid   17 and name HG11)
    or (resid   16 and name HD23) (resid   17 and name HG13)
assign (resid 17 and name HN) (resid 17 and name HA) 2.842 1.010 2.51 weight 1.000 ! spec=HCH_al, no=412, id=2280, vol=4.490000e+06
assign (resid 17 and name HA) (resid 21 and name HN) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=413, id=2281, vol=1.640000e+06
assign (resid 17 and name HA) (resid 68 and name HZ) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=414, id=2282, vol=1.200000e+06
assign (resid 17 and name HA) (resid 58 and name HE1) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=416, id=2284, vol=1.060000e+07
    or (resid   17 and name   HA) (resid   58 and name  HE2)
assign (resid 17 and name HA) (resid 17 and name HB) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=419, id=2286, vol=8.380000e+06
assign (resid 17 and name HA) (resid 17 and name HG22) 2.243 0.629 2.129 weight 1.000 ! spec=HCH_al, no=421, id=2288, vol=1.860000e+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 HA) (resid 19 and name HG22) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=422, id=2289, vol=2.010000e+06
    or (resid   17 and name   HA) (resid   19 and name HG21)
    or (resid   17 and name   HA) (resid   19 and name HG23)
assign (resid 17 and name HB) (resid 58 and name HE1) 3.155 1.244 2.744 weight 1.000 ! spec=HCH_al, no=428, id=2295, vol=2.400000e+06
    or (resid   17 and name   HB) (resid   58 and name  HE2)
assign (resid 17 and name HB) (resid 61 and name HB2) 3.140 1.232 2.732 weight 1.000 ! spec=HCH_al, no=430, id=2297, vol=2.470000e+06
assign (resid 17 and name HB) (resid 17 and name HG22) 2.105 0.554 2.054 weight 1.000 ! spec=HCH_al, no=432, id=2298, vol=2.720000e+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) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=433, id=2299, vol=1.940000e+06
assign (resid 18 and name HN) (resid 18 and name HA) 2.872 1.031 2.531 weight 1.000 ! spec=HCH_al, no=434, id=2300, vol=4.220000e+06
assign (resid 18 and name HA) (resid 18 and name HB2) 2.733 0.934 2.434 weight 1.000 ! spec=HCH_al, no=435, id=2301, vol=5.680000e+06
assign (resid 18 and name HB1) (resid 18 and name HA) 2.516 0.791 2.291 weight 1.000 ! spec=HCH_al, no=436, id=2302, vol=9.340000e+06
assign (resid 58 and name HN) (resid 57 and name HB2) 2.877 1.035 2.535 weight 1.000 ! spec=HCH_al, no=437, id=2303, vol=4.170000e+06
assign (resid 57 and name HN) (resid 57 and name HB2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=438, id=2304, vol=1.260000e+07
assign (resid 19 and name HN) (resid 18 and name HB2) 3.177 1.262 2.762 weight 1.000 ! spec=HCH_al, no=439, id=2305, vol=2.300000e+06
assign (resid 18 and name HN) (resid 18 and name HB2) 2.743 0.940 2.44 weight 1.000 ! spec=HCH_al, no=440, id=2306, vol=5.560000e+06
assign (resid 57 and name HB2) (resid 54 and name HA) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=441, id=2307, vol=5.220000e+06
assign (resid 57 and name HN) (resid 57 and name HB1) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=443, id=2309, vol=1.020000e+07
assign (resid 18 and name HN) (resid 18 and name HB1) 2.766 0.956 2.456 weight 1.000 ! spec=HCH_al, no=444, id=2310, vol=5.290000e+06
assign (resid 19 and name HN) (resid 18 and name HG2) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=447, id=2313, vol=1.950000e+06
assign (resid 18 and name HN) (resid 18 and name HG2) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=448, id=2314, vol=5.430000e+06
assign (resid 18 and name HG2) (resid 18 and name HA) 2.941 1.081 2.581 weight 1.000 ! spec=HCH_al, no=449, id=2315, vol=3.660000e+06
assign (resid 18 and name HG2) (resid 17 and name HG22) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=451, id=2317, vol=4.180000e+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 20 and name HN) (resid 19 and name HA) 3.177 1.262 2.762 weight 1.000 ! spec=HCH_al, no=452, id=2318, vol=2.300000e+06
assign (resid 19 and name HA) (resid 22 and name HN) 2.998 1.123 2.623 weight 1.000 ! spec=HCH_al, no=454, id=2320, vol=3.260000e+06
assign (resid 19 and name HN) (resid 19 and name HA) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=455, id=2321, vol=5.550000e+06
assign (resid 18 and name HN) (resid 19 and name HA) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=456, id=2322, vol=1.520000e+06
assign (resid 19 and name HA) (resid 22 and name HA) 3.654 1.669 3.169 weight 1.000 ! spec=HCH_al, no=457, id=2323, vol=9.940000e+05
assign (resid 19 and name HA) (resid 22 and name HG1) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=460, id=2325, vol=3.040000e+06
assign (resid 19 and name HA) (resid 19 and name HB) 2.823 0.996 2.496 weight 1.000 ! spec=HCH_al, no=461, id=2326, vol=4.680000e+06
assign (resid 19 and name HA) (resid 19 and name HG12) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=462, id=2327, vol=5.220000e+06
assign (resid 19 and name HN) (resid 19 and name HB) 2.822 0.995 2.495 weight 1.000 ! spec=HCH_al, no=467, id=2332, vol=4.690000e+06
assign (resid 19 and name HB) (resid 40 and name HD12) 3.075 1.182 2.682 weight 1.000 ! spec=HCH_al, no=472, id=2336, vol=2.800000e+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 58 and name HE1) 3.490 1.522 3.022 weight 1.000 ! spec=HCH_al, no=474, id=2338, vol=1.310000e+06
    or (resid   19 and name HG22) (resid   58 and name  HE2)
    or (resid   19 and name HG21) (resid   58 and name  HE1)
    or (resid   19 and name HG21) (resid   58 and name  HE2)
    or (resid   19 and name HG23) (resid   58 and name  HE1)
    or (resid   19 and name HG23) (resid   58 and name  HE2)
assign (resid 19 and name HG22) (resid 16 and name HA) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=478, id=2342, vol=5.580000e+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 HA) (resid 19 and name HG22) 2.135 0.570 2.07 weight 1.000 ! spec=HCH_al, no=479, id=2343, vol=2.500000e+07
    or (resid   19 and name   HA) (resid   19 and name HG21)
    or (resid   19 and name   HA) (resid   19 and name HG23)
assign (resid 19 and name HG22) (resid 22 and name HB2) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=482, id=2346, vol=5.320000e+06
    or (resid   19 and name HG22) (resid   22 and name  HB1)
    or (resid   19 and name HG21) (resid   22 and name  HB2)
    or (resid   19 and name HG21) (resid   22 and name  HB1)
    or (resid   19 and name HG23) (resid   22 and name  HB2)
    or (resid   19 and name HG23) (resid   22 and name  HB1)
assign (resid 19 and name HB) (resid 19 and name HG22) 2.023 0.512 2.012 weight 1.000 ! spec=HCH_al, no=484, id=2348, vol=3.450000e+07
    or (resid   19 and name   HB) (resid   19 and name HG21)
    or (resid   19 and name   HB) (resid   19 and name HG23)
assign (resid 19 and name HG22) (resid 3 and name HG12) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=486, id=2350, vol=1.260000e+07
    or (resid   19 and name HG21) (resid    3 and name HG12)
    or (resid   19 and name HG23) (resid    3 and name HG12)
assign (resid 19 and name HN) (resid 19 and name HG11) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_al, no=488, id=2352, vol=3.680000e+06
assign (resid 19 and name HG11) (resid 19 and name HA) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=489, id=2353, vol=3.640000e+06
assign (resid 19 and name HG11) (resid 19 and name HB) 3.180 1.264 2.764 weight 1.000 ! spec=HCH_al, no=490, id=2354, vol=2.290000e+06
assign (resid 19 and name HG12) (resid 19 and name HG11) 2.578 0.831 2.331 weight 1.000 ! spec=HCH_al, no=491, id=2355, vol=8.070000e+06
assign (resid 24 and name HN) (resid 20 and name HA) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=493, id=2356, vol=1.950000e+06
assign (resid 20 and name HN) (resid 20 and name HA) 2.600 0.845 2.345 weight 1.000 ! spec=HCH_al, no=494, id=2357, vol=7.660000e+06
assign (resid 20 and name HA) (resid 58 and name HE1) 3.490 1.522 3.022 weight 1.000 ! spec=HCH_al, no=496, id=2359, vol=1.310000e+06
    or (resid   20 and name   HA) (resid   58 and name  HE2)
assign (resid 20 and name HA) (resid 23 and name HB2) 2.771 0.960 2.46 weight 1.000 ! spec=HCH_al, no=498, id=2360, vol=5.230000e+06
assign (resid 20 and name HA) (resid 23 and name HG) 2.916 1.063 2.563 weight 1.000 ! spec=HCH_al, no=499, id=2361, vol=3.850000e+06
assign (resid 20 and name HN) (resid 20 and name HB2) 2.089 0.545 2.045 weight 1.000 ! spec=HCH_al, no=504, id=2366, vol=2.850000e+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) 2.181 0.595 2.095 weight 1.000 ! spec=HCH_al, no=505, id=2367, vol=2.200000e+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) 2.396 0.718 2.218 weight 1.000 ! spec=HCH_al, no=506, id=2368, vol=1.250000e+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 68 and name HE1) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=508, id=2370, vol=1.210000e+07
    or (resid   20 and name  HB2) (resid   68 and name  HE2)
    or (resid   20 and name  HB1) (resid   68 and name  HE1)
    or (resid   20 and name  HB1) (resid   68 and name  HE2)
    or (resid   20 and name  HB3) (resid   68 and name  HE1)
    or (resid   20 and name  HB3) (resid   68 and name  HE2)
assign (resid 20 and name HB2) (resid 58 and name HE1) 2.121 0.562 2.062 weight 1.000 ! spec=HCH_al, no=509, id=2371, vol=2.600000e+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) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=510, id=2372, vol=1.550000e+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) 2.078 0.540 2.04 weight 1.000 ! spec=HCH_al, no=511, id=2373, vol=2.940000e+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 17 and name HG22) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=513, id=2375, vol=1.270000e+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 23 and name HD22) 1.982 0.491 1.991 weight 1.000 ! spec=HCH_al, no=514, id=2376, vol=3.900000e+07
    or (resid   20 and name  HB2) (resid   23 and name HD21)
    or (resid   20 and name  HB2) (resid   23 and name HD23)
    or (resid   20 and name  HB1) (resid   23 and name HD22)
    or (resid   20 and name  HB1) (resid   23 and name HD21)
    or (resid   20 and name  HB1) (resid   23 and name HD23)
    or (resid   20 and name  HB3) (resid   23 and name HD22)
    or (resid   20 and name  HB3) (resid   23 and name HD21)
    or (resid   20 and name  HB3) (resid   23 and name HD23)
assign (resid 24 and name HN) (resid 21 and name HA) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=517, id=2379, vol=1.640000e+06
assign (resid 21 and name HA) (resid 24 and name HD1) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=518, id=2380, vol=5.030000e+06
    or (resid   21 and name   HA) (resid   24 and name  HD2)
assign (resid 21 and name HA) (resid 21 and name HD2) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=520, id=2382, vol=3.640000e+06
assign (resid 21 and name HA) (resid 21 and name HB1) 2.839 1.008 2.508 weight 1.000 ! spec=HCH_al, no=521, id=2383, vol=4.520000e+06
assign (resid 21 and name HA) (resid 17 and name HG22) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=522, id=2384, vol=1.550000e+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) 3.292 1.355 2.855 weight 1.000 ! spec=HCH_al, no=523, id=2385, vol=1.860000e+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 HN) (resid 21 and name HB2) 2.764 0.955 2.455 weight 1.000 ! spec=HCH_al, no=525, id=2387, vol=5.310000e+06
assign (resid 21 and name HB2) (resid 18 and name HA) 3.310 1.369 2.869 weight 1.000 ! spec=HCH_al, no=528, id=2390, vol=1.800000e+06
assign (resid 21 and name HB1) (resid 21 and name HD2) 3.376 1.424 2.924 weight 1.000 ! spec=HCH_al, no=532, id=2394, vol=1.600000e+06
assign (resid 21 and name HB1) (resid 18 and name HA) 3.168 1.255 2.755 weight 1.000 ! spec=HCH_al, no=533, id=2395, vol=2.340000e+06
assign (resid 22 and name HN) (resid 22 and name HA) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=536, id=2398, vol=6.840000e+06
assign (resid 22 and name HA) (resid 22 and name HG2) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=537, id=2399, vol=7.420000e+06
assign (resid 22 and name HA) (resid 22 and name HB2) 2.157 0.582 2.082 weight 1.000 ! spec=HCH_al, no=538, id=2400, vol=2.350000e+07
    or (resid   22 and name   HA) (resid   22 and name  HB1)
assign (resid 22 and name HN) (resid 22 and name HB2) 2.564 0.821 2.321 weight 1.000 ! spec=HCH_al, no=539, id=2401, vol=8.340000e+06
    or (resid   22 and name   HN) (resid   22 and name  HB1)
assign (resid 22 and name HB2) (resid 19 and name HA) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=542, id=2404, vol=2.580000e+06
    or (resid   22 and name  HB1) (resid   19 and name   HA)
assign (resid 23 and name HN) (resid 22 and name HG2) 2.987 1.116 2.616 weight 1.000 ! spec=HCH_al, no=544, id=2406, vol=3.330000e+06
assign (resid 22 and name HN) (resid 22 and name HG2) 2.499 0.781 2.281 weight 1.000 ! spec=HCH_al, no=545, id=2407, vol=9.720000e+06
assign (resid 22 and name HG2) (resid 19 and name HA) 3.166 1.253 2.753 weight 1.000 ! spec=HCH_al, no=548, id=2410, vol=2.350000e+06
assign (resid 23 and name HA) (resid 23 and name HB1) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=553, id=2415, vol=7.450000e+06
assign (resid 23 and name HN) (resid 23 and name HD12) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=554, id=2416, vol=1.420000e+07
    or (resid   23 and name   HN) (resid   23 and name HD11)
    or (resid   23 and name   HN) (resid   23 and name HD13)
assign (resid 24 and name HN) (resid 23 and name HD22) 2.996 1.122 2.622 weight 1.000 ! spec=HCH_al, no=555, id=2417, vol=3.270000e+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 23 and name HD22) (resid 39 and name HG2) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=557, id=2419, vol=1.980000e+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 25 and name HN) (resid 24 and name HB2) 3.316 1.375 2.875 weight 1.000 ! spec=HCH_al, no=559, id=2421, vol=1.780000e+06
assign (resid 24 and name HB2) (resid 21 and name HA) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=561, id=2423, vol=1.560000e+06
assign (resid 24 and name HB2) (resid 24 and name HB1) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=563, id=2424, vol=1.130000e+07
assign (resid 24 and name HB2) (resid 78 and name HB2) 3.760 1.768 3.268 weight 1.000 ! spec=HCH_al, no=564, id=2425, vol=8.370000e+05
assign (resid 24 and name HB2) (resid 78 and name HG) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=566, id=2427, vol=2.080000e+06
assign (resid 24 and name HB1) (resid 24 and name HA) 3.142 1.234 2.734 weight 1.000 ! spec=HCH_al, no=572, id=2433, vol=2.460000e+06
assign (resid 24 and name HB1) (resid 78 and name HG) 3.431 1.472 2.972 weight 1.000 ! spec=HCH_al, no=574, id=2435, vol=1.450000e+06
assign (resid 25 and name HN) (resid 25 and name HA) 2.579 0.832 2.332 weight 1.000 ! spec=HCH_al, no=576, id=2437, vol=8.040000e+06
assign (resid 26 and name HN) (resid 25 and name HA) 3.031 1.149 2.649 weight 1.000 ! spec=HCH_al, no=577, id=2438, vol=3.050000e+06
assign (resid 25 and name HA) (resid 25 and name HB2) 2.131 0.567 2.067 weight 1.000 ! spec=HCH_al, no=581, id=2441, vol=2.530000e+07
    or (resid   25 and name   HA) (resid   25 and name  HB1)
assign (resid 25 and name HA) (resid 28 and name HG2) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=582, id=2442, vol=1.550000e+06
    or (resid   25 and name   HA) (resid   28 and name  HG1)
assign (resid 25 and name HA) (resid 78 and name HD12) 2.934 1.076 2.576 weight 1.000 ! spec=HCH_al, no=583, id=2443, vol=3.710000e+06
    or (resid   25 and name   HA) (resid   78 and name HD11)
    or (resid   25 and name   HA) (resid   78 and name HD13)
assign (resid 35 and name HN) (resid 35 and name HB2) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=584, id=2444, vol=1.210000e+07
    or (resid   35 and name   HN) (resid   35 and name  HB1)
assign (resid 25 and name HA) (resid 25 and name HG2) 2.532 0.801 2.301 weight 1.000 ! spec=HCH_al, no=587, id=2447, vol=8.990000e+06
    or (resid   25 and name   HA) (resid   25 and name  HG1)
assign (resid 27 and name HN) (resid 26 and name HA) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=589, id=2449, vol=5.740000e+06
assign (resid 26 and name HA) (resid 26 and name HB1) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_al, no=590, id=2450, vol=1.400000e+07
assign (resid 27 and name HN) (resid 26 and name HB2) 2.596 0.842 2.342 weight 1.000 ! spec=HCH_al, no=593, id=2453, vol=7.740000e+06
assign (resid 26 and name HN) (resid 26 and name HB1) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=594, id=2454, vol=1.170000e+07
assign (resid 27 and name HN) (resid 27 and name HB2) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=596, id=2456, vol=5.360000e+06
assign (resid 29 and name HN) (resid 27 and name HB2) 3.038 1.154 2.654 weight 1.000 ! spec=HCH_al, no=597, id=2457, vol=3.010000e+06
assign (resid 27 and name HB2) (resid 24 and name HA) 3.358 1.410 2.91 weight 1.000 ! spec=HCH_al, no=599, id=2459, vol=1.650000e+06
assign (resid 27 and name HB2) (resid 31 and name HG22) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=602, id=2461, vol=1.170000e+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 28 and name HN) (resid 27 and name HB1) 3.277 1.343 2.843 weight 1.000 ! spec=HCH_al, no=603, id=2462, vol=1.910000e+06
assign (resid 27 and name HN) (resid 27 and name HB1) 2.809 0.986 2.486 weight 1.000 ! spec=HCH_al, no=604, id=2463, vol=4.820000e+06
assign (resid 27 and name HB1) (resid 24 and name HA) 3.683 1.695 3.195 weight 1.000 ! spec=HCH_al, no=605, id=2464, vol=9.490000e+05
assign (resid 27 and name HB1) (resid 27 and name HA) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=606, id=2465, vol=6.020000e+06
assign (resid 27 and name HB1) (resid 29 and name HB1) 3.338 1.393 2.893 weight 1.000 ! spec=HCH_al, no=607, id=2466, vol=1.710000e+06
assign (resid 27 and name HB1) (resid 31 and name HG22) 3.711 1.722 3.222 weight 1.000 ! spec=HCH_al, no=609, id=2468, vol=9.060000e+05
    or (resid   27 and name  HB1) (resid   31 and name HG21)
    or (resid   27 and name  HB1) (resid   31 and name HG23)
assign (resid 28 and name HA) (resid 81 and name HE1) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=610, id=2469, vol=1.230000e+06
assign (resid 28 and name HA) (resid 28 and name HN) 2.467 0.761 2.261 weight 1.000 ! spec=HCH_al, no=611, id=2470, vol=1.050000e+07
assign (resid 27 and name HN) (resid 28 and name HA) 3.092 1.195 2.695 weight 1.000 ! spec=HCH_al, no=612, id=2471, vol=2.710000e+06
assign (resid 28 and name HA) (resid 29 and name HN) 2.706 0.915 2.415 weight 1.000 ! spec=HCH_al, no=613, id=2472, vol=6.030000e+06
assign (resid 28 and name HA) (resid 81 and name HH2) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=614, id=2473, vol=1.920000e+06
assign (resid 28 and name HA) (resid 27 and name HB1) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=615, id=2474, vol=1.130000e+06
assign (resid 28 and name HA) (resid 28 and name HB2) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=616, id=2475, vol=5.640000e+06
assign (resid 28 and name HA) (resid 28 and name HB1) 2.714 0.921 2.421 weight 1.000 ! spec=HCH_al, no=617, id=2476, vol=5.920000e+06
assign (resid 28 and name HA) (resid 28 and name HG2) 2.610 0.852 2.352 weight 1.000 ! spec=HCH_al, no=618, id=2477, vol=7.480000e+06
    or (resid   28 and name   HA) (resid   28 and name  HG1)
assign (resid 28 and name HB2) (resid 28 and name HN) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=619, id=2478, vol=2.080000e+06
assign (resid 40 and name HG12) (resid 20 and name HA) 2.727 0.930 2.43 weight 1.000 ! spec=HCH_al, no=621, id=2480, vol=5.750000e+06
assign (resid 28 and name HB1) (resid 28 and name HB2) 2.165 0.586 2.086 weight 1.000 ! spec=HCH_al, no=624, id=2483, vol=2.300000e+07
assign (resid 28 and name HB1) (resid 28 and name HG2) 2.570 0.825 2.325 weight 1.000 ! spec=HCH_al, no=625, id=2484, vol=8.220000e+06
    or (resid   28 and name  HB1) (resid   28 and name  HG1)
assign (resid 28 and name HG2) (resid 81 and name HE1) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=626, id=2485, vol=1.850000e+06
    or (resid   28 and name  HG1) (resid   81 and name  HE1)
assign (resid 28 and name HN) (resid 28 and name HG2) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=627, id=2486, vol=5.360000e+06
    or (resid   28 and name   HN) (resid   28 and name  HG1)
assign (resid 27 and name HN) (resid 28 and name HG2) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=628, id=2487, vol=1.400000e+06
    or (resid   27 and name   HN) (resid   28 and name  HG1)
assign (resid 28 and name HB2) (resid 28 and name HG2) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=633, id=2492, vol=1.220000e+07
    or (resid   28 and name  HB2) (resid   28 and name  HG1)
assign (resid 28 and name HG2) (resid 28 and name HD2) 2.340 0.685 2.185 weight 1.000 ! spec=HCH_al, no=634, id=2493, vol=1.440000e+07
    or (resid   28 and name  HG1) (resid   28 and name  HD2)
assign (resid 28 and name HD1) (resid 28 and name HN) 3.329 1.385 2.885 weight 1.000 ! spec=HCH_al, no=637, id=2495, vol=1.740000e+06
assign (resid 28 and name HG2) (resid 28 and name HD1) 2.088 0.545 2.045 weight 1.000 ! spec=HCH_al, no=639, id=2496, vol=2.860000e+07
    or (resid   28 and name  HG1) (resid   28 and name  HD1)
assign (resid 29 and name HN) (resid 29 and name HB2) 2.986 1.114 2.614 weight 1.000 ! spec=HCH_al, no=642, id=2499, vol=3.340000e+06
assign (resid 29 and name HB2) (resid 30 and name HD2) 2.738 0.937 2.437 weight 1.000 ! spec=HCH_al, no=643, id=2500, vol=5.620000e+06
assign (resid 29 and name HB2) (resid 30 and name HD1) 2.594 0.841 2.341 weight 1.000 ! spec=HCH_al, no=644, id=2501, vol=7.760000e+06
assign (resid 29 and name HB2) (resid 29 and name HE2) 3.372 1.421 2.921 weight 1.000 ! spec=HCH_al, no=645, id=2502, vol=1.610000e+06
    or (resid   29 and name  HB2) (resid   29 and name  HE1)
assign (resid 29 and name HA) (resid 29 and name HB1) 2.746 0.943 2.443 weight 1.000 ! spec=HCH_al, no=649, id=2506, vol=5.520000e+06
assign (resid 29 and name HB1) (resid 31 and name HG22) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=651, id=2508, vol=1.170000e+06
    or (resid   29 and name  HB1) (resid   31 and name HG21)
    or (resid   29 and name  HB1) (resid   31 and name HG23)
assign (resid 29 and name HN) (resid 29 and name HG2) 2.874 1.032 2.532 weight 1.000 ! spec=HCH_al, no=652, id=2509, vol=4.200000e+06
    or (resid   29 and name   HN) (resid   29 and name  HG1)
assign (resid 29 and name HG2) (resid 30 and name HD2) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_al, no=653, id=2510, vol=3.030000e+06
    or (resid   29 and name  HG1) (resid   30 and name  HD2)
assign (resid 29 and name HG2) (resid 30 and name HD1) 2.956 1.092 2.592 weight 1.000 ! spec=HCH_al, no=654, id=2511, vol=3.550000e+06
    or (resid   29 and name  HG1) (resid   30 and name  HD1)
assign (resid 29 and name HG2) (resid 27 and name HB2) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=655, id=2512, vol=1.200000e+06
    or (resid   29 and name  HG1) (resid   27 and name  HB2)
assign (resid 27 and name HB1) (resid 29 and name HG2) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_al, no=656, id=2513, vol=2.380000e+06
    or (resid   27 and name  HB1) (resid   29 and name  HG1)
assign (resid 29 and name HG2) (resid 29 and name HE2) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=657, id=2514, vol=1.190000e+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 HG2) (resid 29 and name HB2) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=658, id=2515, vol=1.600000e+07
    or (resid   29 and name  HG1) (resid   29 and name  HB2)
assign (resid 31 and name HN) (resid 30 and name HA) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_al, no=663, id=2518, vol=1.400000e+07
assign (resid 76 and name HN) (resid 30 and name HA) 3.464 1.500 3 weight 1.000 ! spec=HCH_al, no=664, id=2519, vol=1.370000e+06
assign (resid 30 and name HA) (resid 81 and name HH2) 3.096 1.198 2.698 weight 1.000 ! spec=HCH_al, no=666, id=2521, vol=2.690000e+06
assign (resid 30 and name HA) (resid 81 and name HZ3) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=667, id=2522, vol=3.410000e+06
assign (resid 30 and name HA) (resid 29 and name HA) 3.639 1.655 3.155 weight 1.000 ! spec=HCH_al, no=668, id=2523, vol=1.020000e+06
assign (resid 30 and name HA) (resid 30 and name HD2) 2.836 1.005 2.505 weight 1.000 ! spec=HCH_al, no=669, id=2524, vol=4.550000e+06
assign (resid 30 and name HA) (resid 77 and name HA2) 3.335 1.390 2.89 weight 1.000 ! spec=HCH_al, no=671, id=2526, vol=1.720000e+06
assign (resid 30 and name HA) (resid 30 and name HB2) 2.593 0.841 2.341 weight 1.000 ! spec=HCH_al, no=672, id=2527, vol=7.780000e+06
assign (resid 30 and name HA) (resid 30 and name HG1) 2.660 0.885 2.385 weight 1.000 ! spec=HCH_al, no=673, id=2528, vol=6.680000e+06
assign (resid 30 and name HA) (resid 30 and name HB1) 2.820 0.994 2.494 weight 1.000 ! spec=HCH_al, no=674, id=2529, vol=4.710000e+06
assign (resid 31 and name HN) (resid 30 and name HB2) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=677, id=2532, vol=3.950000e+06
assign (resid 30 and name HB2) (resid 75 and name HB) 2.766 0.957 2.457 weight 1.000 ! spec=HCH_al, no=679, id=2534, vol=5.280000e+06
assign (resid 30 and name HB2) (resid 77 and name HA2) 3.593 1.614 3.114 weight 1.000 ! spec=HCH_al, no=680, id=2535, vol=1.100000e+06
assign (resid 31 and name HN) (resid 30 and name HB1) 3.015 1.136 2.636 weight 1.000 ! spec=HCH_al, no=683, id=2538, vol=3.150000e+06
assign (resid 30 and name HB1) (resid 81 and name HZ3) 3.456 1.493 2.993 weight 1.000 ! spec=HCH_al, no=684, id=2539, vol=1.390000e+06
assign (resid 30 and name HB1) (resid 31 and name HA) 3.757 1.765 3.265 weight 1.000 ! spec=HCH_al, no=686, id=2541, vol=8.410000e+05
assign (resid 30 and name HG1) (resid 81 and name HE3) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=693, id=2548, vol=1.200000e+06
assign (resid 32 and name HG2) (resid 35 and name HN) 3.125 1.221 2.721 weight 1.000 ! spec=HCH_al, no=695, id=2550, vol=2.540000e+06
assign (resid 30 and name HG1) (resid 81 and name HZ3) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=696, id=2551, vol=3.040000e+06
assign (resid 32 and name HG2) (resid 32 and name HA) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=698, id=2553, vol=5.320000e+06
assign (resid 32 and name HG2) (resid 32 and name HB2) 2.558 0.818 2.318 weight 1.000 ! spec=HCH_al, no=701, id=2556, vol=8.450000e+06
assign (resid 30 and name HG2) (resid 71 and name HD22) 3.180 1.264 2.764 weight 1.000 ! spec=HCH_al, no=704, id=2559, vol=2.290000e+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 31 and name HN) (resid 30 and name HG1) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=705, id=2560, vol=1.400000e+06
assign (resid 30 and name HG1) (resid 29 and name HA) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=710, id=2565, vol=2.150000e+06
assign (resid 30 and name HG1) (resid 71 and name HD12) 2.554 0.816 2.316 weight 1.000 ! spec=HCH_al, no=711, id=2566, vol=8.520000e+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 HD2) (resid 29 and name HN) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=713, id=2568, vol=1.930000e+06
assign (resid 30 and name HD2) (resid 81 and name HZ3) 3.376 1.424 2.924 weight 1.000 ! spec=HCH_al, no=714, id=2569, vol=1.600000e+06
assign (resid 30 and name HD2) (resid 29 and name HA) 2.563 0.821 2.321 weight 1.000 ! spec=HCH_al, no=716, id=2571, vol=8.350000e+06
assign (resid 30 and name HD2) (resid 30 and name HD1) 2.145 0.575 2.075 weight 1.000 ! spec=HCH_al, no=718, id=2572, vol=2.430000e+07
assign (resid 30 and name HG2) (resid 30 and name HD2) 2.562 0.821 2.321 weight 1.000 ! spec=HCH_al, no=719, id=2573, vol=8.360000e+06
assign (resid 30 and name HD2) (resid 29 and name HD2) 2.845 1.012 2.512 weight 1.000 ! spec=HCH_al, no=721, id=2575, vol=4.460000e+06
    or (resid   30 and name  HD2) (resid   29 and name  HD1)
assign (resid 29 and name HN) (resid 30 and name HD1) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=723, id=2577, vol=1.560000e+06
assign (resid 30 and name HD1) (resid 81 and name HZ3) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=724, id=2578, vol=1.400000e+06
assign (resid 30 and name HD1) (resid 30 and name HG2) 2.539 0.806 2.306 weight 1.000 ! spec=HCH_al, no=726, id=2580, vol=8.840000e+06
assign (resid 30 and name HD1) (resid 29 and name HD2) 2.739 0.938 2.438 weight 1.000 ! spec=HCH_al, no=727, id=2581, vol=5.600000e+06
    or (resid   30 and name  HD1) (resid   29 and name  HD1)
assign (resid 30 and name HD1) (resid 71 and name HD12) 3.593 1.614 3.114 weight 1.000 ! spec=HCH_al, no=729, id=2583, vol=1.100000e+06
    or (resid   30 and name  HD1) (resid   71 and name HD11)
    or (resid   30 and name  HD1) (resid   71 and name HD13)
assign (resid 31 and name HN) (resid 31 and name HA) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=730, id=2584, vol=5.030000e+06
assign (resid 31 and name HA) (resid 32 and name HD2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=732, id=2585, vol=1.310000e+07
assign (resid 31 and name HA) (resid 32 and name HD1) 2.495 0.778 2.278 weight 1.000 ! spec=HCH_al, no=733, id=2586, vol=9.810000e+06
assign (resid 31 and name HA) (resid 31 and name HB) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=734, id=2587, vol=1.220000e+07
assign (resid 31 and name HB) (resid 68 and name HZ) 4.440 2.464 3.964 weight 1.000 ! spec=HCH_al, no=738, id=2590, vol=3.090000e+05
assign (resid 33 and name HN) (resid 32 and name HA) 2.620 0.858 2.358 weight 1.000 ! spec=HCH_al, no=740, id=2592, vol=7.320000e+06
assign (resid 76 and name HN) (resid 32 and name HA) 2.950 1.088 2.588 weight 1.000 ! spec=HCH_al, no=741, id=2593, vol=3.590000e+06
assign (resid 32 and name HA) (resid 32 and name HB1) 2.648 0.876 2.376 weight 1.000 ! spec=HCH_al, no=748, id=2600, vol=6.870000e+06
assign (resid 33 and name HN) (resid 32 and name HB2) 2.993 1.120 2.62 weight 1.000 ! spec=HCH_al, no=750, id=2602, vol=3.290000e+06
assign (resid 34 and name HN) (resid 32 and name HB2) 3.196 1.277 2.777 weight 1.000 ! spec=HCH_al, no=751, id=2603, vol=2.220000e+06
assign (resid 35 and name HN) (resid 32 and name HB2) 2.896 1.049 2.549 weight 1.000 ! spec=HCH_al, no=752, id=2604, vol=4.010000e+06
assign (resid 32 and name HA) (resid 32 and name HB2) 2.611 0.852 2.352 weight 1.000 ! spec=HCH_al, no=753, id=2605, vol=7.470000e+06
assign (resid 32 and name HB2) (resid 75 and name HA) 3.247 1.318 2.818 weight 1.000 ! spec=HCH_al, no=754, id=2606, vol=2.020000e+06
assign (resid 32 and name HB2) (resid 32 and name HD1) 3.155 1.244 2.744 weight 1.000 ! spec=HCH_al, no=756, id=2608, vol=2.400000e+06
assign (resid 32 and name HB2) (resid 32 and name HB1) 2.066 0.534 2.034 weight 1.000 ! spec=HCH_al, no=759, id=2610, vol=3.040000e+07
assign (resid 106 and name HB) (resid 106 and name HA) 2.293 0.657 2.157 weight 1.000 ! spec=HCH_al, no=763, id=2614, vol=1.630000e+07
assign (resid 35 and name HN) (resid 34 and name HB2) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=767, id=2618, vol=8.560000e+06
    or (resid   35 and name   HN) (resid   34 and name  HB1)
assign (resid 32 and name HB2) (resid 32 and name HG1) 2.535 0.804 2.304 weight 1.000 ! spec=HCH_al, no=772, id=2623, vol=8.910000e+06
assign (resid 32 and name HG1) (resid 75 and name HG21) 2.630 0.864 2.364 weight 1.000 ! spec=HCH_al, no=773, id=2624, vol=7.160000e+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 32 and name HD2) (resid 35 and name HG1) 3.157 1.246 2.746 weight 1.000 ! spec=HCH_al, no=776, id=2627, vol=2.390000e+06
assign (resid 32 and name HD2) (resid 31 and name HB) 2.626 0.862 2.362 weight 1.000 ! spec=HCH_al, no=777, id=2628, vol=7.210000e+06
assign (resid 32 and name HG1) (resid 32 and name HD2) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=778, id=2629, vol=7.420000e+06
assign (resid 32 and name HD2) (resid 75 and name HG21) 2.550 0.813 2.313 weight 1.000 ! spec=HCH_al, no=779, id=2630, vol=8.600000e+06
    or (resid   32 and name  HD2) (resid   75 and name HG22)
    or (resid   32 and name  HD2) (resid   75 and name HG23)
assign (resid 32 and name HD2) (resid 32 and name HD1) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=781, id=2632, vol=1.260000e+07
assign (resid 32 and name HD1) (resid 31 and name HB) 2.697 0.909 2.409 weight 1.000 ! spec=HCH_al, no=783, id=2634, vol=6.150000e+06
assign (resid 32 and name HD1) (resid 32 and name HG1) 2.645 0.874 2.374 weight 1.000 ! spec=HCH_al, no=784, id=2635, vol=6.920000e+06
assign (resid 32 and name HD1) (resid 31 and name HG12) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_al, no=785, id=2636, vol=5.760000e+06
    or (resid   32 and name  HD1) (resid   31 and name HG11)
    or (resid   32 and name  HD1) (resid   31 and name HG13)
assign (resid 76 and name HE1) (resid 33 and name HA) 3.096 1.198 2.698 weight 1.000 ! spec=HCH_al, no=786, id=2637, vol=2.690000e+06
assign (resid 33 and name HN) (resid 33 and name HA) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=787, id=2638, vol=5.580000e+06
assign (resid 34 and name HN) (resid 33 and name HA) 3.047 1.160 2.66 weight 1.000 ! spec=HCH_al, no=788, id=2639, vol=2.960000e+06
assign (resid 33 and name HA) (resid 33 and name HD1) 2.678 0.896 2.396 weight 1.000 ! spec=HCH_al, no=789, id=2640, vol=6.420000e+06
    or (resid   33 and name   HA) (resid   33 and name  HD2)
assign (resid 33 and name HA) (resid 32 and name HA) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=790, id=2641, vol=2.120000e+06
assign (resid 33 and name HA) (resid 33 and name HB2) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=791, id=2642, vol=8.380000e+06
assign (resid 33 and name HA) (resid 33 and name HB1) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=792, id=2643, vol=5.980000e+06
assign (resid 33 and name HA) (resid 36 and name HB2) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=793, id=2644, vol=3.430000e+06
assign (resid 21 and name HA) (resid 20 and name HB2) 2.884 1.040 2.54 weight 1.000 ! spec=HCH_al, no=794, id=2645, vol=4.110000e+06
    or (resid   21 and name   HA) (resid   20 and name  HB1)
    or (resid   21 and name   HA) (resid   20 and name  HB3)
assign (resid 34 and name HN) (resid 34 and name HA) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=796, id=2647, vol=1.020000e+07
assign (resid 37 and name HN) (resid 34 and name HA) 2.873 1.032 2.532 weight 1.000 ! spec=HCH_al, no=797, id=2648, vol=4.210000e+06
assign (resid 38 and name HN) (resid 34 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HCH_al, no=798, id=2649, vol=2.420000e+06
assign (resid 35 and name HN) (resid 34 and name HA) 2.805 0.983 2.483 weight 1.000 ! spec=HCH_al, no=799, id=2650, vol=4.860000e+06
assign (resid 34 and name HA) (resid 33 and name HD1) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=800, id=2651, vol=1.930000e+06
    or (resid   34 and name   HA) (resid   33 and name  HD2)
assign (resid 34 and name HB2) (resid 34 and name HA) 2.277 0.648 2.148 weight 1.000 ! spec=HCH_al, no=802, id=2653, vol=1.700000e+07
    or (resid   34 and name  HB1) (resid   34 and name   HA)
assign (resid 34 and name HA) (resid 37 and name HB2) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=803, id=2654, vol=6.100000e+06
assign (resid 34 and name HA) (resid 37 and name HB1) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_al, no=804, id=2655, vol=7.720000e+06
assign (resid 34 and name HA) (resid 37 and name HD22) 2.523 0.796 2.296 weight 1.000 ! spec=HCH_al, no=805, id=2656, vol=9.180000e+06
    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) 4.309 2.320 3.82 weight 1.000 ! spec=HCH_al, no=806, id=2657, vol=3.700000e+05
    or (resid   34 and name  HB1) (resid   35 and name   HA)
assign (resid 34 and name HB2) (resid 38 and name HB2) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=807, id=2658, vol=1.260000e+06
    or (resid   34 and name  HB1) (resid   38 and name  HB2)
assign (resid 34 and name HN) (resid 34 and name HG2) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=808, id=2659, vol=7.420000e+06
assign (resid 34 and name HG2) (resid 34 and name HE21) 2.586 0.836 2.336 weight 1.000 ! spec=HCH_al, no=809, id=2660, vol=7.920000e+06
assign (resid 34 and name HG2) (resid 34 and name HA) 2.562 0.821 2.321 weight 1.000 ! spec=HCH_al, no=811, id=2662, vol=8.360000e+06
assign (resid 34 and name HG2) (resid 34 and name HB2) 2.154 0.580 2.08 weight 1.000 ! spec=HCH_al, no=812, id=2663, vol=2.370000e+07
    or (resid   34 and name  HG2) (resid   34 and name  HB1)
assign (resid 34 and name HE21) (resid 34 and name HG1) 2.535 0.803 2.303 weight 1.000 ! spec=HCH_al, no=814, id=2665, vol=8.920000e+06
assign (resid 34 and name HA) (resid 34 and name HG1) 2.510 0.787 2.287 weight 1.000 ! spec=HCH_al, no=816, id=2667, vol=9.470000e+06
assign (resid 34 and name HG1) (resid 33 and name HB1) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=817, id=2668, vol=1.550000e+06
assign (resid 34 and name HG1) (resid 34 and name HB2) 1.964 0.482 1.982 weight 1.000 ! spec=HCH_al, no=818, id=2669, vol=4.120000e+07
    or (resid   34 and name  HG1) (resid   34 and name  HB1)
assign (resid 35 and name HA) (resid 38 and name HB2) 2.533 0.802 2.302 weight 1.000 ! spec=HCH_al, no=820, id=2671, vol=8.960000e+06
assign (resid 57 and name HN) (resid 57 and name HA) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=824, id=2675, vol=1.110000e+07
assign (resid 35 and name HN) (resid 36 and name HA) 3.408 1.452 2.952 weight 1.000 ! spec=HCH_al, no=825, id=2676, vol=1.510000e+06
assign (resid 57 and name HA) (resid 60 and name HB) 2.535 0.804 2.304 weight 1.000 ! spec=HCH_al, no=826, id=2677, vol=8.910000e+06
assign (resid 57 and name HA) (resid 57 and name HB1) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=828, id=2679, vol=1.600000e+07
assign (resid 36 and name HA) (resid 31 and name HG12) 2.686 0.902 2.402 weight 1.000 ! spec=HCH_al, no=831, id=2682, vol=6.300000e+06
    or (resid   36 and name   HA) (resid   31 and name HG11)
    or (resid   36 and name   HA) (resid   31 and name HG13)
assign (resid 36 and name HA) (resid 36 and name HD22) 2.169 0.588 2.088 weight 1.000 ! spec=HCH_al, no=832, id=2683, vol=2.270000e+07
    or (resid   36 and name   HA) (resid   36 and name HD21)
    or (resid   36 and name   HA) (resid   36 and name HD23)
    or (resid   36 and name   HA) (resid   36 and name HD12)
    or (resid   36 and name   HA) (resid   36 and name HD11)
    or (resid   36 and name   HA) (resid   36 and name HD13)
assign (resid 36 and name HN) (resid 36 and name HG) 2.996 1.122 2.622 weight 1.000 ! spec=HCH_al, no=834, id=2685, vol=3.270000e+06
assign (resid 36 and name HG) (resid 58 and name HE1) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=835, id=2686, vol=2.120000e+06
    or (resid   36 and name   HG) (resid   58 and name  HE2)
assign (resid 36 and name HG) (resid 36 and name HA) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=836, id=2687, vol=2.080000e+06
assign (resid 36 and name HG) (resid 36 and name HD22) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=837, id=2688, vol=1.550000e+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) 2.881 1.037 2.537 weight 1.000 ! spec=HCH_al, no=838, id=2689, vol=4.140000e+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) 2.942 1.082 2.582 weight 1.000 ! spec=HCH_al, no=839, id=2690, vol=3.650000e+06
assign (resid 37 and name HN) (resid 37 and name HA) 2.601 0.845 2.345 weight 1.000 ! spec=HCH_al, no=840, id=2691, vol=7.650000e+06
assign (resid 38 and name HN) (resid 37 and name HA) 2.968 1.101 2.601 weight 1.000 ! spec=HCH_al, no=841, id=2692, vol=3.460000e+06
assign (resid 37 and name HA) (resid 58 and name HE1) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_al, no=842, id=2693, vol=2.160000e+06
    or (resid   37 and name   HA) (resid   58 and name  HE2)
assign (resid 37 and name HA) (resid 40 and name HA) 3.567 1.590 3.09 weight 1.000 ! spec=HCH_al, no=844, id=2695, vol=1.150000e+06
assign (resid 37 and name HA) (resid 37 and name HB2) 2.532 0.801 2.301 weight 1.000 ! spec=HCH_al, no=846, id=2697, vol=8.990000e+06
assign (resid 37 and name HA) (resid 37 and name HB1) 2.467 0.761 2.261 weight 1.000 ! spec=HCH_al, no=847, id=2698, vol=1.050000e+07
assign (resid 37 and name HA) (resid 37 and name HD22) 2.200 0.605 2.105 weight 1.000 ! spec=HCH_al, no=848, id=2699, vol=2.090000e+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 38 and name HN) (resid 38 and name HA) 2.340 0.685 2.185 weight 1.000 ! spec=HCH_al, no=851, id=2701, vol=1.440000e+07
assign (resid 38 and name HA) (resid 38 and name HB1) 2.302 0.662 2.162 weight 1.000 ! spec=HCH_al, no=853, id=2703, vol=1.590000e+07
assign (resid 38 and name HB2) (resid 35 and name HB2) 3.131 1.226 2.726 weight 1.000 ! spec=HCH_al, no=855, id=2705, vol=2.510000e+06
    or (resid   38 and name  HB2) (resid   35 and name  HB1)
assign (resid 39 and name HA) (resid 41 and name HN) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=857, id=2707, vol=1.580000e+06
assign (resid 39 and name HA) (resid 40 and name HN) 2.953 1.090 2.59 weight 1.000 ! spec=HCH_al, no=858, id=2708, vol=3.570000e+06
assign (resid 39 and name HA) (resid 39 and name HN) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=859, id=2709, vol=1.020000e+07
assign (resid 39 and name HA) (resid 42 and name HN) 2.639 0.870 2.37 weight 1.000 ! spec=HCH_al, no=860, id=2710, vol=7.010000e+06
assign (resid 39 and name HB2) (resid 23 and name HD12) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=864, id=2714, vol=5.980000e+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) 2.562 0.820 2.32 weight 1.000 ! spec=HCH_al, no=865, id=2715, vol=8.370000e+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 39 and name HG2) (resid 36 and name HA) 2.516 0.792 2.292 weight 1.000 ! spec=HCH_al, no=866, id=2716, vol=9.320000e+06
assign (resid 39 and name HG2) (resid 23 and name HD12) 2.863 1.024 2.524 weight 1.000 ! spec=HCH_al, no=867, id=2717, vol=4.300000e+06
    or (resid   39 and name  HG2) (resid   23 and name HD11)
    or (resid   39 and name  HG2) (resid   23 and name HD13)
assign (resid 41 and name HN) (resid 40 and name HA) 3.050 1.163 2.663 weight 1.000 ! spec=HCH_al, no=870, id=2720, vol=2.940000e+06
assign (resid 40 and name HN) (resid 40 and name HA) 2.722 0.926 2.426 weight 1.000 ! spec=HCH_al, no=871, id=2721, vol=5.820000e+06
assign (resid 43 and name HN) (resid 40 and name HA) 2.795 0.977 2.477 weight 1.000 ! spec=HCH_al, no=872, id=2722, vol=4.960000e+06
assign (resid 42 and name HN) (resid 40 and name HA) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=873, id=2723, vol=1.850000e+06
assign (resid 40 and name HA) (resid 42 and name HB2) 3.424 1.465 2.965 weight 1.000 ! spec=HCH_al, no=874, id=2724, vol=1.470000e+06
    or (resid   40 and name   HA) (resid   42 and name  HB1)
assign (resid 40 and name HA) (resid 43 and name HB2) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=877, id=2726, vol=4.610000e+06
assign (resid 40 and name HA) (resid 40 and name HG12) 2.599 0.844 2.344 weight 1.000 ! spec=HCH_al, no=878, id=2727, vol=7.680000e+06
assign (resid 40 and name HA) (resid 43 and name HB1) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=879, id=2728, vol=4.610000e+06
assign (resid 40 and name HA) (resid 41 and name HB2) 3.342 1.396 2.896 weight 1.000 ! spec=HCH_al, no=880, id=2729, vol=1.700000e+06
    or (resid   40 and name   HA) (resid   41 and name  HB1)
    or (resid   40 and name   HA) (resid   41 and name  HB3)
assign (resid 40 and name HA) (resid 43 and name HD22) 2.514 0.790 2.29 weight 1.000 ! spec=HCH_al, no=881, id=2730, vol=9.370000e+06
    or (resid   40 and name   HA) (resid   43 and name HD21)
    or (resid   40 and name   HA) (resid   43 and name HD23)
    or (resid   40 and name   HA) (resid   43 and name HD12)
    or (resid   40 and name   HA) (resid   43 and name HD11)
    or (resid   40 and name   HA) (resid   43 and name HD13)
assign (resid 23 and name HD22) (resid 40 and name HA) 2.448 0.749 2.249 weight 1.000 ! spec=HCH_al, no=882, id=2731, vol=1.100000e+07
    or (resid   23 and name HD21) (resid   40 and name   HA)
    or (resid   23 and name HD23) (resid   40 and name   HA)
assign (resid 40 and name HB) (resid 40 and name HG12) 2.718 0.923 2.423 weight 1.000 ! spec=HCH_al, no=890, id=2739, vol=5.870000e+06
assign (resid 40 and name HB) (resid 41 and name HB2) 3.129 1.224 2.724 weight 1.000 ! spec=HCH_al, no=891, id=2740, vol=2.520000e+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) 2.369 0.701 2.201 weight 1.000 ! spec=HCH_al, no=894, id=2743, vol=1.340000e+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) 1.967 0.483 1.983 weight 1.000 ! spec=HCH_al, no=896, id=2745, vol=4.090000e+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) 1.820 0.414 1.914 weight 1.000 ! spec=HCH_al, no=897, id=2746, vol=6.510000e+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 HG12) (resid 40 and name HG11) 2.501 0.782 2.282 weight 1.000 ! spec=HCH_al, no=899, id=2748, vol=9.670000e+06
assign (resid 40 and name HG11) (resid 37 and name HA) 3.929 1.930 3.43 weight 1.000 ! spec=HCH_al, no=902, id=2751, vol=6.430000e+05
assign (resid 40 and name HA) (resid 40 and name HG11) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=903, id=2752, vol=3.070000e+06
assign (resid 40 and name HG11) (resid 20 and name HB2) 3.812 1.817 3.317 weight 1.000 ! spec=HCH_al, no=905, id=2754, vol=7.710000e+05
    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 23 and name HD22) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=906, id=2755, vol=5.030000e+06
    or (resid   40 and name HG11) (resid   23 and name HD21)
    or (resid   40 and name HG11) (resid   23 and name HD23)
assign (resid 40 and name HG11) (resid 40 and name HD12) 2.582 0.834 2.334 weight 1.000 ! spec=HCH_al, no=908, id=2756, vol=7.980000e+06
    or (resid   40 and name HG11) (resid   40 and name HD11)
    or (resid   40 and name HG11) (resid   40 and name HD13)
assign (resid 41 and name HN) (resid 41 and name HA) 2.503 0.783 2.283 weight 1.000 ! spec=HCH_al, no=910, id=2757, vol=9.630000e+06
assign (resid 41 and name HA) (resid 40 and name HN) 3.522 1.551 3.051 weight 1.000 ! spec=HCH_al, no=911, id=2758, vol=1.240000e+06
assign (resid 41 and name HA) (resid 46 and name HB) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=915, id=2761, vol=1.170000e+06
assign (resid 41 and name HA) (resid 44 and name HB2) 2.753 0.947 2.447 weight 1.000 ! spec=HCH_al, no=916, id=2762, vol=5.440000e+06
assign (resid 49 and name HN) (resid 41 and name HB2) 3.182 1.266 2.766 weight 1.000 ! spec=HCH_al, no=919, id=2765, vol=2.280000e+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) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=920, id=2766, vol=1.150000e+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) 1.881 0.442 1.942 weight 1.000 ! spec=HCH_al, no=921, id=2767, vol=5.340000e+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) 2.030 0.515 2.015 weight 1.000 ! spec=HCH_al, no=924, id=2770, vol=3.380000e+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) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=926, id=2771, vol=1.150000e+07
    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) 2.193 0.601 2.101 weight 1.000 ! spec=HCH_al, no=927, id=2772, vol=2.130000e+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 HA) (resid 41 and name HB2) 1.934 0.468 1.968 weight 1.000 ! spec=HCH_al, no=929, id=2774, vol=4.520000e+07
    or (resid   41 and name   HA) (resid   41 and name  HB1)
    or (resid   41 and name   HA) (resid   41 and name  HB3)
assign (resid 41 and name HB2) (resid 48 and name HA) 2.082 0.542 2.042 weight 1.000 ! spec=HCH_al, no=930, id=2775, vol=2.910000e+07
    or (resid   41 and name  HB1) (resid   48 and name   HA)
    or (resid   41 and name  HB3) (resid   48 and name   HA)
assign (resid 41 and name HB2) (resid 48 and name HE2) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=931, id=2776, vol=5.980000e+06
    or (resid   41 and name  HB2) (resid   48 and name  HE1)
    or (resid   41 and name  HB1) (resid   48 and name  HE2)
    or (resid   41 and name  HB1) (resid   48 and name  HE1)
    or (resid   41 and name  HB3) (resid   48 and name  HE2)
    or (resid   41 and name  HB3) (resid   48 and name  HE1)
assign (resid 41 and name HB2) (resid 48 and name HB2) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=934, id=2779, vol=1.390000e+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 42 and name HA) (resid 41 and name HB2) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_al, no=939, id=2783, vol=2.160000e+06
    or (resid   42 and name   HA) (resid   41 and name  HB1)
    or (resid   42 and name   HA) (resid   41 and name  HB3)
assign (resid 41 and name HN) (resid 42 and name HB2) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_al, no=940, id=2784, vol=2.550000e+06
    or (resid   41 and name   HN) (resid   42 and name  HB1)
assign (resid 42 and name HB2) (resid 42 and name HA) 2.066 0.534 2.034 weight 1.000 ! spec=HCH_al, no=942, id=2786, vol=3.040000e+07
    or (resid   42 and name  HB1) (resid   42 and name   HA)
assign (resid 41 and name HB2) (resid 42 and name HB2) 2.879 1.036 2.536 weight 1.000 ! spec=HCH_al, no=944, id=2788, vol=4.160000e+06
    or (resid   41 and name  HB2) (resid   42 and name  HB1)
    or (resid   41 and name  HB1) (resid   42 and name  HB2)
    or (resid   41 and name  HB1) (resid   42 and name  HB1)
    or (resid   41 and name  HB3) (resid   42 and name  HB2)
    or (resid   41 and name  HB3) (resid   42 and name  HB1)
assign (resid 42 and name HB2) (resid 43 and name HD22) 2.980 1.110 2.61 weight 1.000 ! spec=HCH_al, no=945, id=2789, vol=3.380000e+06
    or (resid   42 and name  HB2) (resid   43 and name HD21)
    or (resid   42 and name  HB2) (resid   43 and name HD23)
    or (resid   42 and name  HB2) (resid   43 and name HD12)
    or (resid   42 and name  HB2) (resid   43 and name HD11)
    or (resid   42 and name  HB2) (resid   43 and name HD13)
    or (resid   42 and name  HB1) (resid   43 and name HD22)
    or (resid   42 and name  HB1) (resid   43 and name HD21)
    or (resid   42 and name  HB1) (resid   43 and name HD23)
    or (resid   42 and name  HB1) (resid   43 and name HD12)
    or (resid   42 and name  HB1) (resid   43 and name HD11)
    or (resid   42 and name  HB1) (resid   43 and name HD13)
assign (resid 43 and name HN) (resid 43 and name HA) 2.196 0.603 2.103 weight 1.000 ! spec=HCH_al, no=947, id=2791, vol=2.110000e+07
assign (resid 43 and name HA) (resid 43 and name HB2) 2.396 0.718 2.218 weight 1.000 ! spec=HCH_al, no=951, id=2795, vol=1.250000e+07
assign (resid 43 and name HA) (resid 43 and name HG) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=952, id=2796, vol=1.170000e+07
assign (resid 43 and name HA) (resid 43 and name HB1) 2.235 0.624 2.124 weight 1.000 ! spec=HCH_al, no=953, id=2797, vol=1.900000e+07
assign (resid 43 and name HA) (resid 43 and name HD22) 2.017 0.509 2.009 weight 1.000 ! spec=HCH_al, no=955, id=2799, vol=3.510000e+07
    or (resid   43 and name   HA) (resid   43 and name HD21)
    or (resid   43 and name   HA) (resid   43 and name HD23)
    or (resid   43 and name   HA) (resid   43 and name HD12)
    or (resid   43 and name   HA) (resid   43 and name HD11)
    or (resid   43 and name   HA) (resid   43 and name HD13)
assign (resid 43 and name HN) (resid 43 and name HG) 2.567 0.824 2.324 weight 1.000 ! spec=HCH_al, no=957, id=2800, vol=8.270000e+06
assign (resid 44 and name HA) (resid 11 and name HB1) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=961, id=2804, vol=1.560000e+06
assign (resid 45 and name HN) (resid 45 and name HA1) 2.297 0.660 2.16 weight 1.000 ! spec=HCH_al, no=972, id=2809, vol=1.610000e+07
assign (resid 46 and name HN) (resid 45 and name HA1) 2.740 0.939 2.439 weight 1.000 ! spec=HCH_al, no=973, id=2810, vol=5.590000e+06
assign (resid 45 and name HA1) (resid 46 and name HA) 3.151 1.241 2.741 weight 1.000 ! spec=HCH_al, no=975, id=2812, vol=2.420000e+06
assign (resid 45 and name HA1) (resid 45 and name HA2) 2.050 0.525 2.025 weight 1.000 ! spec=HCH_al, no=976, id=2813, vol=3.190000e+07
assign (resid 45 and name HA1) (resid 46 and name HG12) 3.397 1.443 2.943 weight 1.000 ! spec=HCH_al, no=978, id=2815, vol=1.540000e+06
    or (resid   45 and name  HA1) (resid   46 and name HG11)
    or (resid   45 and name  HA1) (resid   46 and name HG13)
assign (resid 45 and name HN) (resid 45 and name HA2) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=980, id=2816, vol=1.550000e+07
assign (resid 46 and name HN) (resid 45 and name HA2) 2.730 0.931 2.431 weight 1.000 ! spec=HCH_al, no=981, id=2817, vol=5.720000e+06
assign (resid 45 and name HA2) (resid 46 and name HA) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=983, id=2819, vol=1.840000e+06
assign (resid 45 and name HA2) (resid 46 and name HG12) 3.335 1.390 2.89 weight 1.000 ! spec=HCH_al, no=986, id=2821, vol=1.720000e+06
    or (resid   45 and name  HA2) (resid   46 and name HG11)
    or (resid   45 and name  HA2) (resid   46 and name HG13)
assign (resid 45 and name HA2) (resid 46 and name HG22) 3.730 1.739 3.239 weight 1.000 ! spec=HCH_al, no=987, id=2822, vol=8.790000e+05
    or (resid   45 and name  HA2) (resid   46 and name HG21)
    or (resid   45 and name  HA2) (resid   46 and name HG23)
assign (resid 46 and name HB) (resid 50 and name HN) 2.882 1.038 2.538 weight 1.000 ! spec=HCH_al, no=989, id=2824, vol=4.130000e+06
assign (resid 46 and name HB) (resid 46 and name HA) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=990, id=2825, vol=1.040000e+07
assign (resid 48 and name HN) (resid 47 and name HA) 2.133 0.569 2.069 weight 1.000 ! spec=HCH_al, no=993, id=2828, vol=2.510000e+07
assign (resid 47 and name HN) (resid 47 and name HA) 2.614 0.854 2.354 weight 1.000 ! spec=HCH_al, no=994, id=2829, vol=7.420000e+06
assign (resid 47 and name HA) (resid 47 and name HB2) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=995, id=2830, vol=1.070000e+07
assign (resid 47 and name HN) (resid 47 and name HB2) 2.426 0.736 2.236 weight 1.000 ! spec=HCH_al, no=999, id=2834, vol=1.160000e+07
assign (resid 47 and name HB2) (resid 47 and name HE2) 3.443 1.482 2.982 weight 1.000 ! spec=HCH_al, no=1002, id=2836, vol=1.420000e+06
    or (resid   47 and name  HB2) (resid   47 and name  HE1)
assign (resid 47 and name HB2) (resid 47 and name HD2) 2.070 0.536 2.036 weight 1.000 ! spec=HCH_al, no=1003, id=2837, vol=3.010000e+07
    or (resid   47 and name  HB2) (resid   47 and name  HD1)
assign (resid 49 and name HN) (resid 47 and name HB1) 2.929 1.072 2.572 weight 1.000 ! spec=HCH_al, no=1004, id=2838, vol=3.750000e+06
assign (resid 47 and name HB1) (resid 48 and name HN) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_al, no=1005, id=2839, vol=4.000000e+06
assign (resid 47 and name HB1) (resid 47 and name HN) 2.583 0.834 2.334 weight 1.000 ! spec=HCH_al, no=1006, id=2840, vol=7.970000e+06
assign (resid 47 and name HB1) (resid 47 and name HA) 2.835 1.005 2.505 weight 1.000 ! spec=HCH_al, no=1009, id=2842, vol=4.560000e+06
assign (resid 47 and name HB1) (resid 50 and name HG2) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=1010, id=2843, vol=1.930000e+06
assign (resid 47 and name HB1) (resid 47 and name HB2) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=1011, id=2844, vol=1.090000e+07
assign (resid 46 and name HG22) (resid 47 and name HB1) 3.593 1.614 3.114 weight 1.000 ! spec=HCH_al, no=1013, id=2846, vol=1.100000e+06
    or (resid   46 and name HG21) (resid   47 and name  HB1)
    or (resid   46 and name HG23) (resid   47 and name  HB1)
assign (resid 47 and name HG2) (resid 47 and name HN) 2.530 0.800 2.3 weight 1.000 ! spec=HCH_al, no=1015, id=2848, vol=9.020000e+06
assign (resid 47 and name HG2) (resid 50 and name HN) 3.397 1.443 2.943 weight 1.000 ! spec=HCH_al, no=1016, id=2849, vol=1.540000e+06
assign (resid 47 and name HG2) (resid 46 and name HA) 3.113 1.211 2.711 weight 1.000 ! spec=HCH_al, no=1017, id=2850, vol=2.600000e+06
assign (resid 47 and name HG2) (resid 47 and name HE2) 2.646 0.875 2.375 weight 1.000 ! spec=HCH_al, no=1019, id=2852, vol=6.900000e+06
    or (resid   47 and name  HG2) (resid   47 and name  HE1)
assign (resid 47 and name HG2) (resid 50 and name HG2) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=1020, id=2853, vol=3.180000e+06
assign (resid 47 and name HG1) (resid 49 and name HN) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=1022, id=2855, vol=1.690000e+06
assign (resid 48 and name HN) (resid 47 and name HG1) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_al, no=1023, id=2856, vol=3.090000e+06
assign (resid 47 and name HG1) (resid 50 and name HN) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=1024, id=2857, vol=1.840000e+06
assign (resid 47 and name HG1) (resid 46 and name HA) 3.749 1.757 3.257 weight 1.000 ! spec=HCH_al, no=1025, id=2858, vol=8.520000e+05
assign (resid 47 and name HG1) (resid 47 and name HE2) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=1027, id=2860, vol=9.070000e+06
    or (resid   47 and name  HG1) (resid   47 and name  HE1)
assign (resid 47 and name HG1) (resid 50 and name HG2) 3.096 1.198 2.698 weight 1.000 ! spec=HCH_al, no=1028, id=2861, vol=2.690000e+06
assign (resid 47 and name HG1) (resid 47 and name HB2) 2.560 0.819 2.319 weight 1.000 ! spec=HCH_al, no=1029, id=2862, vol=8.410000e+06
assign (resid 49 and name HN) (resid 48 and name HA) 2.889 1.043 2.543 weight 1.000 ! spec=HCH_al, no=1030, id=2863, vol=4.070000e+06
assign (resid 48 and name HN) (resid 48 and name HA) 2.490 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1031, id=2864, vol=9.940000e+06
assign (resid 50 and name HN) (resid 48 and name HA) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=1032, id=2865, vol=3.360000e+06
assign (resid 51 and name HN) (resid 48 and name HA) 3.020 1.140 2.64 weight 1.000 ! spec=HCH_al, no=1033, id=2866, vol=3.120000e+06
assign (resid 48 and name HA) (resid 47 and name HA) 2.986 1.114 2.614 weight 1.000 ! spec=HCH_al, no=1034, id=2867, vol=3.340000e+06
assign (resid 48 and name HA) (resid 48 and name HE2) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=1036, id=2868, vol=1.980000e+06
    or (resid   48 and name   HA) (resid   48 and name  HE1)
assign (resid 48 and name HA) (resid 48 and name HB2) 2.426 0.736 2.236 weight 1.000 ! spec=HCH_al, no=1037, id=2869, vol=1.160000e+07
assign (resid 48 and name HA) (resid 55 and name HD12) 3.142 1.234 2.734 weight 1.000 ! spec=HCH_al, no=1040, id=2872, vol=2.460000e+06
    or (resid   48 and name   HA) (resid   55 and name HD11)
    or (resid   48 and name   HA) (resid   55 and name HD13)
assign (resid 48 and name HA) (resid 46 and name HG22) 2.700 0.911 2.411 weight 1.000 ! spec=HCH_al, no=1042, id=2874, vol=6.110000e+06
    or (resid   48 and name   HA) (resid   46 and name HG21)
    or (resid   48 and name   HA) (resid   46 and name HG23)
assign (resid 48 and name HN) (resid 48 and name HB2) 2.516 0.791 2.291 weight 1.000 ! spec=HCH_al, no=1044, id=2876, vol=9.340000e+06
assign (resid 49 and name HN) (resid 48 and name HG2) 2.708 0.917 2.417 weight 1.000 ! spec=HCH_al, no=1046, id=2878, vol=6.000000e+06
    or (resid   49 and name   HN) (resid   48 and name  HG1)
assign (resid 99 and name HA) (resid 99 and name HG2) 2.592 0.840 2.34 weight 1.000 ! spec=HCH_al, no=1048, id=2880, vol=7.800000e+06
    or (resid   99 and name   HA) (resid   99 and name  HG1)
assign (resid 48 and name HA) (resid 48 and name HG2) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=1050, id=2882, vol=5.480000e+06
    or (resid   48 and name   HA) (resid   48 and name  HG1)
assign (resid 48 and name HG2) (resid 50 and name HG2) 3.335 1.390 2.89 weight 1.000 ! spec=HCH_al, no=1052, id=2884, vol=1.720000e+06
    or (resid   48 and name  HG1) (resid   50 and name  HG2)
assign (resid 38 and name HN) (resid 48 and name HD2) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=1053, id=2885, vol=6.350000e+06
    or (resid   38 and name   HN) (resid   48 and name  HD1)
assign (resid 51 and name HN) (resid 49 and name HA) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=1054, id=2886, vol=3.160000e+06
assign (resid 49 and name HA) (resid 52 and name HN) 3.055 1.167 2.667 weight 1.000 ! spec=HCH_al, no=1055, id=2887, vol=2.910000e+06
assign (resid 50 and name HN) (resid 50 and name HA) 2.168 0.587 2.087 weight 1.000 ! spec=HCH_al, no=1057, id=2889, vol=2.280000e+07
assign (resid 52 and name HN) (resid 50 and name HA) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=1058, id=2890, vol=5.550000e+06
assign (resid 51 and name HA) (resid 51 and name HN) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=1063, id=2895, vol=1.420000e+07
assign (resid 112 and name HN) (resid 112 and name HG) 2.060 0.530 2.03 weight 1.000 ! spec=HCH_al, no=1064, id=2896, vol=3.100000e+07
assign (resid 53 and name HN) (resid 52 and name HA1) 2.631 0.866 2.366 weight 1.000 ! spec=HCH_al, no=1067, id=2899, vol=7.130000e+06
assign (resid 54 and name HN) (resid 52 and name HA1) 2.964 1.098 2.598 weight 1.000 ! spec=HCH_al, no=1068, id=2900, vol=3.490000e+06
assign (resid 52 and name HN) (resid 52 and name HA1) 2.229 0.621 2.121 weight 1.000 ! spec=HCH_al, no=1069, id=2901, vol=1.930000e+07
assign (resid 52 and name HA1) (resid 53 and name HB1) 3.310 1.369 2.869 weight 1.000 ! spec=HCH_al, no=1073, id=2905, vol=1.800000e+06
assign (resid 52 and name HA1) (resid 55 and name HB) 3.277 1.343 2.843 weight 1.000 ! spec=HCH_al, no=1074, id=2906, vol=1.910000e+06
assign (resid 52 and name HA1) (resid 55 and name HG12) 3.332 1.388 2.888 weight 1.000 ! spec=HCH_al, no=1075, id=2907, vol=1.730000e+06
assign (resid 53 and name HN) (resid 52 and name HA2) 2.857 1.020 2.52 weight 1.000 ! spec=HCH_al, no=1077, id=2909, vol=4.350000e+06
assign (resid 54 and name HN) (resid 52 and name HA2) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1078, id=2910, vol=2.270000e+06
assign (resid 52 and name HN) (resid 52 and name HA2) 2.173 0.590 2.09 weight 1.000 ! spec=HCH_al, no=1079, id=2911, vol=2.250000e+07
assign (resid 52 and name HA2) (resid 53 and name HA) 3.791 1.797 3.297 weight 1.000 ! spec=HCH_al, no=1081, id=2913, vol=7.970000e+05
assign (resid 52 and name HA1) (resid 52 and name HA2) 1.892 0.447 1.947 weight 1.000 ! spec=HCH_al, no=1082, id=2914, vol=5.160000e+07
assign (resid 52 and name HA2) (resid 55 and name HB) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=1084, id=2915, vol=3.640000e+06
assign (resid 52 and name HA2) (resid 55 and name HG12) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=1085, id=2916, vol=3.070000e+06
assign (resid 52 and name HA2) (resid 55 and name HD12) 2.448 0.749 2.249 weight 1.000 ! spec=HCH_al, no=1086, id=2917, vol=1.100000e+07
    or (resid   52 and name  HA2) (resid   55 and name HD11)
    or (resid   52 and name  HA2) (resid   55 and name HD13)
assign (resid 54 and name HN) (resid 53 and name HA) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=1087, id=2918, vol=5.970000e+06
assign (resid 53 and name HA) (resid 56 and name HB2) 2.715 0.921 2.421 weight 1.000 ! spec=HCH_al, no=1089, id=2919, vol=5.910000e+06
    or (resid   53 and name   HA) (resid   56 and name  HB1)
    or (resid   53 and name   HA) (resid   56 and name  HB3)
assign (resid 61 and name HN) (resid 61 and name HA) 2.509 0.787 2.287 weight 1.000 ! spec=HCH_al, no=1095, id=2920, vol=9.480000e+06
assign (resid 54 and name HN) (resid 54 and name HA) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=1096, id=2921, vol=1.270000e+07
assign (resid 61 and name HA) (resid 62 and name HN) 2.952 1.089 2.589 weight 1.000 ! spec=HCH_al, no=1097, id=2922, vol=3.580000e+06
assign (resid 57 and name HN) (resid 54 and name HA) 2.899 1.050 2.55 weight 1.000 ! spec=HCH_al, no=1099, id=2924, vol=3.990000e+06
assign (resid 61 and name HA) (resid 61 and name HB2) 2.587 0.836 2.336 weight 1.000 ! spec=HCH_al, no=1101, id=2926, vol=7.900000e+06
assign (resid 61 and name HA) (resid 61 and name HB1) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=1102, id=2927, vol=8.860000e+06
assign (resid 54 and name HA) (resid 54 and name HG1) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=1105, id=2930, vol=1.370000e+07
assign (resid 61 and name HA) (resid 64 and name HG12) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=1106, id=2931, vol=1.140000e+07
assign (resid 54 and name HB1) (resid 54 and name HN) 2.533 0.802 2.302 weight 1.000 ! spec=HCH_al, no=1109, id=2934, vol=8.960000e+06
assign (resid 54 and name HB1) (resid 55 and name HN) 3.242 1.313 2.813 weight 1.000 ! spec=HCH_al, no=1110, id=2935, vol=2.040000e+06
assign (resid 59 and name HN) (resid 55 and name HA) 3.223 1.299 2.799 weight 1.000 ! spec=HCH_al, no=1116, id=2940, vol=2.110000e+06
assign (resid 56 and name HN) (resid 55 and name HA) 3.099 1.201 2.701 weight 1.000 ! spec=HCH_al, no=1117, id=2941, vol=2.670000e+06
assign (resid 58 and name HN) (resid 55 and name HA) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_al, no=1118, id=2942, vol=3.630000e+06
assign (resid 55 and name HN) (resid 55 and name HA) 2.731 0.932 2.432 weight 1.000 ! spec=HCH_al, no=1119, id=2943, vol=5.710000e+06
assign (resid 55 and name HA) (resid 58 and name HA) 3.092 1.195 2.695 weight 1.000 ! spec=HCH_al, no=1121, id=2945, vol=2.710000e+06
assign (resid 55 and name HA) (resid 58 and name HB2) 2.706 0.915 2.415 weight 1.000 ! spec=HCH_al, no=1123, id=2946, vol=6.030000e+06
assign (resid 55 and name HA) (resid 55 and name HB) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=1124, id=2947, vol=5.420000e+06
assign (resid 55 and name HA) (resid 55 and name HG12) 2.800 0.980 2.48 weight 1.000 ! spec=HCH_al, no=1125, id=2948, vol=4.910000e+06
assign (resid 55 and name HA) (resid 56 and name HB2) 3.536 1.563 3.063 weight 1.000 ! spec=HCH_al, no=1126, id=2949, vol=1.210000e+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 37 and name HD22) 2.814 0.990 2.49 weight 1.000 ! spec=HCH_al, no=1129, id=2952, vol=4.770000e+06
    or (resid   55 and name   HA) (resid   37 and name HD21)
    or (resid   55 and name   HA) (resid   37 and name HD23)
    or (resid   55 and name   HA) (resid   37 and name HD12)
    or (resid   55 and name   HA) (resid   37 and name HD11)
    or (resid   55 and name   HA) (resid   37 and name HD13)
assign (resid 55 and name HA) (resid 16 and name HD12) 2.958 1.094 2.594 weight 1.000 ! spec=HCH_al, no=1130, id=2953, vol=3.530000e+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 56 and name HA) 3.627 1.644 3.144 weight 1.000 ! spec=HCH_al, no=1134, id=2957, vol=1.040000e+06
assign (resid 55 and name HB) (resid 55 and name HG12) 2.890 1.044 2.544 weight 1.000 ! spec=HCH_al, no=1136, id=2959, vol=4.060000e+06
assign (resid 55 and name HB) (resid 56 and name HB2) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1137, id=2960, vol=2.270000e+06
    or (resid   55 and name   HB) (resid   56 and name  HB1)
    or (resid   55 and name   HB) (resid   56 and name  HB3)
assign (resid 55 and name HB) (resid 37 and name HD22) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=1140, id=2963, vol=2.580000e+06
    or (resid   55 and name   HB) (resid   37 and name HD21)
    or (resid   55 and name   HB) (resid   37 and name HD23)
    or (resid   55 and name   HB) (resid   37 and name HD12)
    or (resid   55 and name   HB) (resid   37 and name HD11)
    or (resid   55 and name   HB) (resid   37 and name HD13)
assign (resid 55 and name HG22) (resid 56 and name HA) 2.651 0.878 2.378 weight 1.000 ! spec=HCH_al, no=1142, id=2965, vol=6.820000e+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 56 and name HB2) 2.735 0.935 2.435 weight 1.000 ! spec=HCH_al, no=1144, id=2967, vol=5.650000e+06
    or (resid   55 and name HG22) (resid   56 and name  HB1)
    or (resid   55 and name HG22) (resid   56 and name  HB3)
    or (resid   55 and name HG21) (resid   56 and name  HB2)
    or (resid   55 and name HG21) (resid   56 and name  HB1)
    or (resid   55 and name HG21) (resid   56 and name  HB3)
    or (resid   55 and name HG23) (resid   56 and name  HB2)
    or (resid   55 and name HG23) (resid   56 and name  HB1)
    or (resid   55 and name HG23) (resid   56 and name  HB3)
assign (resid 55 and name HN) (resid 55 and name HG12) 2.669 0.890 2.39 weight 1.000 ! spec=HCH_al, no=1145, id=2968, vol=6.550000e+06
assign (resid 55 and name HG12) (resid 55 and name HG22) 2.555 0.816 2.316 weight 1.000 ! spec=HCH_al, no=1148, id=2971, vol=8.500000e+06
    or (resid   55 and name HG12) (resid   55 and name HG21)
    or (resid   55 and name HG12) (resid   55 and name HG23)
assign (resid 55 and name HG12) (resid 55 and name HG11) 2.065 0.533 2.033 weight 1.000 ! spec=HCH_al, no=1149, id=2972, vol=3.050000e+07
assign (resid 55 and name HB) (resid 55 and name HG11) 2.699 0.911 2.411 weight 1.000 ! spec=HCH_al, no=1150, id=2973, vol=6.120000e+06
assign (resid 55 and name HG11) (resid 37 and name HD22) 2.537 0.805 2.305 weight 1.000 ! spec=HCH_al, no=1152, id=2975, vol=8.870000e+06
    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 59 and name HN) (resid 56 and name HA) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=1153, id=2976, vol=4.030000e+06
assign (resid 56 and name HA) (resid 59 and name HB2) 2.713 0.920 2.42 weight 1.000 ! spec=HCH_al, no=1155, id=2978, vol=5.930000e+06
assign (resid 56 and name HB2) (resid 57 and name HA) 2.654 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1157, id=2980, vol=6.770000e+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 74 and name HA) (resid 74 and name HB2) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=1159, id=2982, vol=1.420000e+07
    or (resid   74 and name   HA) (resid   74 and name  HB1)
assign (resid 57 and name HG2) (resid 61 and name HN) 3.365 1.415 2.915 weight 1.000 ! spec=HCH_al, no=1163, id=2986, vol=1.630000e+06
assign (resid 57 and name HE21) (resid 57 and name HG2) 2.375 0.705 2.205 weight 1.000 ! spec=HCH_al, no=1164, id=2987, vol=1.320000e+07
assign (resid 57 and name HG2) (resid 57 and name HA) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=1166, id=2989, vol=4.360000e+06
assign (resid 57 and name HG2) (resid 56 and name HB2) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=1167, id=2990, vol=1.850000e+06
    or (resid   57 and name  HG2) (resid   56 and name  HB1)
    or (resid   57 and name  HG2) (resid   56 and name  HB3)
assign (resid 57 and name HE21) (resid 57 and name HG1) 2.277 0.648 2.148 weight 1.000 ! spec=HCH_al, no=1169, id=2992, vol=1.700000e+07
assign (resid 57 and name HG1) (resid 57 and name HA) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=1173, id=2996, vol=6.850000e+06
assign (resid 57 and name HG1) (resid 57 and name HB2) 2.227 0.620 2.12 weight 1.000 ! spec=HCH_al, no=1174, id=2997, vol=1.940000e+07
assign (resid 57 and name HG1) (resid 57 and name HB1) 2.191 0.600 2.1 weight 1.000 ! spec=HCH_al, no=1175, id=2998, vol=2.140000e+07
assign (resid 57 and name HG1) (resid 60 and name HG21) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1177, id=3000, vol=1.260000e+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 HN) (resid 58 and name HA) 2.711 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1178, id=3001, vol=5.960000e+06
assign (resid 58 and name HA) (resid 58 and name HB1) 2.735 0.935 2.435 weight 1.000 ! spec=HCH_al, no=1180, id=3003, vol=5.650000e+06
assign (resid 58 and name HA) (resid 61 and name HB1) 3.028 1.146 2.646 weight 1.000 ! spec=HCH_al, no=1181, id=3004, vol=3.070000e+06
assign (resid 58 and name HB1) (resid 16 and name HB1) 3.798 1.803 3.303 weight 1.000 ! spec=HCH_al, no=1192, id=3015, vol=7.890000e+05
assign (resid 58 and name HB1) (resid 59 and name HN) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=1193, id=3016, vol=2.720000e+06
assign (resid 58 and name HB1) (resid 58 and name HD1) 2.752 0.947 2.447 weight 1.000 ! spec=HCH_al, no=1195, id=3018, vol=5.450000e+06
    or (resid   58 and name  HB1) (resid   58 and name  HD2)
assign (resid 58 and name HB1) (resid 55 and name HG22) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=1199, id=3022, vol=1.360000e+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) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=1200, id=3023, vol=1.590000e+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) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1203, id=3026, vol=7.150000e+06
assign (resid 62 and name HN) (resid 59 and name HA) 3.226 1.301 2.801 weight 1.000 ! spec=HCH_al, no=1204, id=3027, vol=2.100000e+06
assign (resid 60 and name HN) (resid 59 and name HA) 3.121 1.218 2.718 weight 1.000 ! spec=HCH_al, no=1205, id=3028, vol=2.560000e+06
assign (resid 63 and name HN) (resid 59 and name HA) 3.393 1.439 2.939 weight 1.000 ! spec=HCH_al, no=1207, id=3030, vol=1.550000e+06
assign (resid 59 and name HA) (resid 33 and name HE1) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=1208, id=3031, vol=3.440000e+06
    or (resid   59 and name   HA) (resid   33 and name  HE2)
assign (resid 59 and name HA) (resid 60 and name HA) 3.494 1.526 3.026 weight 1.000 ! spec=HCH_al, no=1211, id=3034, vol=1.300000e+06
assign (resid 59 and name HA) (resid 59 and name HB2) 2.663 0.886 2.386 weight 1.000 ! spec=HCH_al, no=1213, id=3035, vol=6.640000e+06
assign (resid 59 and name HA) (resid 59 and name HB1) 2.590 0.839 2.339 weight 1.000 ! spec=HCH_al, no=1214, id=3036, vol=7.840000e+06
assign (resid 59 and name HA) (resid 55 and name HG22) 3.910 1.911 3.411 weight 1.000 ! spec=HCH_al, no=1215, id=3037, vol=6.620000e+05
    or (resid   59 and name   HA) (resid   55 and name HG21)
    or (resid   59 and name   HA) (resid   55 and name HG23)
assign (resid 59 and name HA) (resid 62 and name HG) 3.329 1.385 2.885 weight 1.000 ! spec=HCH_al, no=1217, id=3039, vol=1.740000e+06
assign (resid 59 and name HA) (resid 62 and name HB1) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=1218, id=3040, vol=2.120000e+06
assign (resid 59 and name HN) (resid 59 and name HB2) 2.633 0.867 2.367 weight 1.000 ! spec=HCH_al, no=1220, id=3042, vol=7.100000e+06
assign (resid 60 and name HN) (resid 59 and name HB2) 2.889 1.043 2.543 weight 1.000 ! spec=HCH_al, no=1221, id=3043, vol=4.070000e+06
assign (resid 59 and name HB2) (resid 59 and name HE1) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=1222, id=3044, vol=1.360000e+06
    or (resid   59 and name  HB2) (resid   59 and name  HE2)
assign (resid 59 and name HB2) (resid 59 and name HB1) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=1225, id=3047, vol=1.120000e+07
assign (resid 59 and name HN) (resid 59 and name HB1) 2.665 0.888 2.388 weight 1.000 ! spec=HCH_al, no=1227, id=3049, vol=6.610000e+06
assign (resid 60 and name HN) (resid 59 and name HB1) 3.047 1.160 2.66 weight 1.000 ! spec=HCH_al, no=1228, id=3050, vol=2.960000e+06
assign (resid 59 and name HB1) (resid 59 and name HE1) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=1230, id=3052, vol=1.690000e+06
    or (resid   59 and name  HB1) (resid   59 and name  HE2)
assign (resid 59 and name HB1) (resid 56 and name HB2) 3.358 1.410 2.91 weight 1.000 ! spec=HCH_al, no=1235, id=3057, vol=1.650000e+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 55 and name HG22) (resid 59 and name HB1) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1236, id=3058, vol=1.260000e+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 59 and name HB1) (resid 62 and name HD22) 3.684 1.696 3.196 weight 1.000 ! spec=HCH_al, no=1237, id=3059, vol=9.470000e+05
    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) 3.057 1.168 2.668 weight 1.000 ! spec=HCH_al, no=1238, id=3060, vol=2.900000e+06
assign (resid 60 and name HN) (resid 60 and name HA) 2.598 0.844 2.344 weight 1.000 ! spec=HCH_al, no=1239, id=3061, vol=7.690000e+06
assign (resid 63 and name HN) (resid 60 and name HA) 3.127 1.223 2.723 weight 1.000 ! spec=HCH_al, no=1241, id=3063, vol=2.530000e+06
assign (resid 55 and name HA) (resid 59 and name HE1) 3.748 1.756 3.256 weight 1.000 ! spec=HCH_al, no=1242, id=3064, vol=8.540000e+05
    or (resid   55 and name   HA) (resid   59 and name  HE2)
assign (resid 60 and name HA) (resid 60 and name HB) 2.863 1.024 2.524 weight 1.000 ! spec=HCH_al, no=1244, id=3066, vol=4.300000e+06
assign (resid 60 and name HA) (resid 63 and name HB2) 2.861 1.023 2.523 weight 1.000 ! spec=HCH_al, no=1246, id=3067, vol=4.320000e+06
assign (resid 60 and name HA) (resid 63 and name HB1) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=1247, id=3068, vol=3.210000e+06
assign (resid 61 and name HN) (resid 60 and name HB) 2.648 0.877 2.377 weight 1.000 ! spec=HCH_al, no=1249, id=3070, vol=6.860000e+06
assign (resid 60 and name HN) (resid 60 and name HB) 2.558 0.818 2.318 weight 1.000 ! spec=HCH_al, no=1250, id=3071, vol=8.440000e+06
assign (resid 61 and name HA) (resid 60 and name HG21) 2.825 0.997 2.497 weight 1.000 ! spec=HCH_al, no=1253, id=3074, vol=4.660000e+06
    or (resid   61 and name   HA) (resid   60 and name HG22)
    or (resid   61 and name   HA) (resid   60 and name HG23)
assign (resid 62 and name HN) (resid 62 and name HA) 2.636 0.869 2.369 weight 1.000 ! spec=HCH_al, no=1256, id=3076, vol=7.050000e+06
assign (resid 62 and name HA) (resid 68 and name HD1) 2.872 1.031 2.531 weight 1.000 ! spec=HCH_al, no=1257, id=3077, vol=4.220000e+06
    or (resid   62 and name   HA) (resid   68 and name  HD2)
assign (resid 63 and name HN) (resid 62 and name HA) 2.990 1.118 2.618 weight 1.000 ! spec=HCH_al, no=1258, id=3078, vol=3.310000e+06
assign (resid 62 and name HA) (resid 61 and name HB2) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=1260, id=3079, vol=1.920000e+06
assign (resid 62 and name HA) (resid 17 and name HG22) 2.684 0.901 2.401 weight 1.000 ! spec=HCH_al, no=1261, id=3080, vol=6.330000e+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) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=1262, id=3081, vol=5.790000e+06
assign (resid 62 and name HA) (resid 62 and name HG) 2.925 1.069 2.569 weight 1.000 ! spec=HCH_al, no=1263, id=3082, vol=3.780000e+06
assign (resid 62 and name HA) (resid 62 and name HB1) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=1264, id=3083, vol=6.010000e+06
assign (resid 63 and name HN) (resid 62 and name HG) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1268, id=3087, vol=1.070000e+06
assign (resid 62 and name HG) (resid 58 and name HE1) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=1269, id=3088, vol=1.130000e+06
    or (resid   62 and name   HG) (resid   58 and name  HE2)
assign (resid 62 and name HG) (resid 17 and name HG22) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1272, id=3091, vol=2.270000e+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 HD12) (resid 62 and name HB2) 2.343 0.686 2.186 weight 1.000 ! spec=HCH_al, no=1275, id=3094, vol=1.430000e+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) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=1276, id=3095, vol=1.760000e+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) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=1277, id=3096, vol=1.350000e+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 63 and name HN) (resid 63 and name HA) 2.505 0.785 2.285 weight 1.000 ! spec=HCH_al, no=1278, id=3097, vol=9.570000e+06
assign (resid 63 and name HA) (resid 76 and name HH2) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_al, no=1279, id=3098, vol=1.000000e+07
assign (resid 63 and name HA) (resid 63 and name HB2) 2.545 0.810 2.31 weight 1.000 ! spec=HCH_al, no=1280, id=3099, vol=8.710000e+06
assign (resid 63 and name HA) (resid 63 and name HB1) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=1281, id=3100, vol=1.110000e+07
assign (resid 64 and name HN) (resid 64 and name HA) 2.600 0.845 2.345 weight 1.000 ! spec=HCH_al, no=1284, id=3102, vol=7.660000e+06
assign (resid 64 and name HA) (resid 63 and name HB1) 3.435 1.475 2.975 weight 1.000 ! spec=HCH_al, no=1286, id=3104, vol=1.440000e+06
assign (resid 64 and name HA) (resid 64 and name HB) 2.300 0.661 2.161 weight 1.000 ! spec=HCH_al, no=1287, id=3105, vol=1.600000e+07
assign (resid 64 and name HA) (resid 64 and name HG11) 2.813 0.989 2.489 weight 1.000 ! spec=HCH_al, no=1288, id=3106, vol=4.780000e+06
assign (resid 64 and name HA) (resid 64 and name HD12) 2.831 1.002 2.502 weight 1.000 ! spec=HCH_al, no=1290, id=3108, vol=4.600000e+06
    or (resid   64 and name   HA) (resid   64 and name HD11)
    or (resid   64 and name   HA) (resid   64 and name HD13)
assign (resid 64 and name HN) (resid 64 and name HB) 2.814 0.990 2.49 weight 1.000 ! spec=HCH_al, no=1292, id=3110, vol=4.770000e+06
assign (resid 64 and name HB) (resid 63 and name HB2) 4.218 2.224 3.724 weight 1.000 ! spec=HCH_al, no=1294, id=3112, vol=4.200000e+05
assign (resid 64 and name HB) (resid 64 and name HG12) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=1295, id=3113, vol=1.030000e+07
assign (resid 64 and name HB) (resid 60 and name HG21) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1296, id=3114, vol=1.760000e+06
    or (resid   64 and name   HB) (resid   60 and name HG22)
    or (resid   64 and name   HB) (resid   60 and name HG23)
assign (resid 64 and name HG22) (resid 64 and name HG11) 1.969 0.485 1.985 weight 1.000 ! spec=HCH_al, no=1299, id=3117, vol=4.060000e+07
    or (resid   64 and name HG21) (resid   64 and name HG11)
    or (resid   64 and name HG23) (resid   64 and name HG11)
assign (resid 64 and name HG22) (resid 60 and name HG21) 2.021 0.511 2.011 weight 1.000 ! spec=HCH_al, no=1300, id=3118, vol=3.470000e+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 65 and name HN) (resid 65 and name HA) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_al, no=1301, id=3119, vol=3.090000e+06
assign (resid 63 and name HA) (resid 64 and name HN) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_al, no=1302, id=3120, vol=3.680000e+06
assign (resid 66 and name HA1) (resid 66 and name HN) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1303, id=3121, vol=2.270000e+06
assign (resid 67 and name HN) (resid 66 and name HA2) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1304, id=3122, vol=1.260000e+06
assign (resid 66 and name HA2) (resid 66 and name HN) 2.782 0.967 2.467 weight 1.000 ! spec=HCH_al, no=1305, id=3123, vol=5.110000e+06
assign (resid 66 and name HA2) (resid 66 and name HA1) 2.873 1.032 2.532 weight 1.000 ! spec=HCH_al, no=1306, id=3124, vol=4.210000e+06
assign (resid 69 and name HN) (resid 68 and name HA) 2.519 0.793 2.293 weight 1.000 ! spec=HCH_al, no=1311, id=3126, vol=9.260000e+06
assign (resid 68 and name HN) (resid 68 and name HA) 2.956 1.092 2.592 weight 1.000 ! spec=HCH_al, no=1312, id=3127, vol=3.550000e+06
assign (resid 79 and name HN) (resid 68 and name HA) 2.786 0.970 2.47 weight 1.000 ! spec=HCH_al, no=1313, id=3128, vol=5.060000e+06
assign (resid 68 and name HA) (resid 68 and name HB1) 2.824 0.997 2.497 weight 1.000 ! spec=HCH_al, no=1318, id=3131, vol=4.670000e+06
assign (resid 68 and name HA) (resid 79 and name HB1) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=1319, id=3132, vol=2.970000e+06
assign (resid 68 and name HA) (resid 69 and name HB2) 3.239 1.311 2.811 weight 1.000 ! spec=HCH_al, no=1320, id=3133, vol=2.050000e+06
assign (resid 68 and name HA) (resid 78 and name HB2) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=1321, id=3134, vol=1.410000e+06
assign (resid 68 and name HA) (resid 62 and name HD12) 3.136 1.229 2.729 weight 1.000 ! spec=HCH_al, no=1323, id=3136, vol=2.490000e+06
    or (resid   68 and name   HA) (resid   62 and name HD11)
    or (resid   68 and name   HA) (resid   62 and name HD13)
assign (resid 69 and name HA) (resid 69 and name HB2) 2.553 0.815 2.315 weight 1.000 ! spec=HCH_al, no=1327, id=3139, vol=8.550000e+06
assign (resid 69 and name HB2) (resid 69 and name HN) 2.830 1.001 2.501 weight 1.000 ! spec=HCH_al, no=1330, id=3142, vol=4.610000e+06
assign (resid 69 and name HB2) (resid 77 and name HN) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=1331, id=3143, vol=1.260000e+06
assign (resid 69 and name HB2) (resid 82 and name HD1) 3.599 1.619 3.119 weight 1.000 ! spec=HCH_al, no=1332, id=3144, vol=1.090000e+06
    or (resid   69 and name  HB2) (resid   82 and name  HD2)
assign (resid 69 and name HB2) (resid 82 and name HE1) 3.499 1.530 3.03 weight 1.000 ! spec=HCH_al, no=1333, id=3145, vol=1.290000e+06
    or (resid   69 and name  HB2) (resid   82 and name  HE2)
assign (resid 69 and name HB2) (resid 79 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HCH_al, no=1336, id=3148, vol=2.740000e+06
assign (resid 69 and name HB2) (resid 79 and name HG2) 3.301 1.362 2.862 weight 1.000 ! spec=HCH_al, no=1338, id=3150, vol=1.830000e+06
assign (resid 69 and name HB2) (resid 69 and name HB1) 2.272 0.645 2.145 weight 1.000 ! spec=HCH_al, no=1339, id=3151, vol=1.720000e+07
assign (resid 69 and name HB2) (resid 69 and name HD12) 2.841 1.009 2.509 weight 1.000 ! spec=HCH_al, no=1340, id=3152, vol=4.500000e+06
    or (resid   69 and name  HB2) (resid   69 and name HD11)
    or (resid   69 and name  HB2) (resid   69 and name HD13)
assign (resid 69 and name HB1) (resid 79 and name HN) 3.026 1.145 2.645 weight 1.000 ! spec=HCH_al, no=1343, id=3155, vol=3.080000e+06
assign (resid 69 and name HB1) (resid 68 and name HA) 4.134 2.137 3.637 weight 1.000 ! spec=HCH_al, no=1345, id=3157, vol=4.740000e+05
assign (resid 69 and name HB1) (resid 69 and name HA) 2.902 1.053 2.553 weight 1.000 ! spec=HCH_al, no=1346, id=3158, vol=3.960000e+06
assign (resid 69 and name HB1) (resid 79 and name HG2) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=1350, id=3162, vol=1.590000e+06
assign (resid 69 and name HB1) (resid 69 and name HD12) 2.636 0.868 2.368 weight 1.000 ! spec=HCH_al, no=1353, id=3164, vol=7.060000e+06
    or (resid   69 and name  HB1) (resid   69 and name HD11)
    or (resid   69 and name  HB1) (resid   69 and name HD13)
assign (resid 69 and name HB1) (resid 69 and name HD22) 2.602 0.846 2.346 weight 1.000 ! spec=HCH_al, no=1354, id=3165, vol=7.630000e+06
    or (resid   69 and name  HB1) (resid   69 and name HD21)
    or (resid   69 and name  HB1) (resid   69 and name HD23)
assign (resid 69 and name HG) (resid 69 and name HN) 3.692 1.704 3.204 weight 1.000 ! spec=HCH_al, no=1355, id=3166, vol=9.350000e+05
assign (resid 69 and name HG) (resid 69 and name HA) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=1356, id=3167, vol=3.440000e+06
assign (resid 69 and name HD22) (resid 82 and name HN) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=1357, id=3168, vol=3.160000e+06
    or (resid   69 and name HD21) (resid   82 and name   HN)
    or (resid   69 and name HD23) (resid   82 and name   HN)
assign (resid 70 and name HA) (resid 77 and name HN) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=1359, id=3170, vol=2.150000e+06
assign (resid 71 and name HN) (resid 70 and name HA) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=1360, id=3171, vol=1.190000e+07
assign (resid 70 and name HA) (resid 76 and name HE3) 3.567 1.590 3.09 weight 1.000 ! spec=HCH_al, no=1361, id=3172, vol=1.150000e+06
assign (resid 70 and name HA) (resid 76 and name HD1) 3.746 1.754 3.254 weight 1.000 ! spec=HCH_al, no=1362, id=3173, vol=8.560000e+05
assign (resid 70 and name HA) (resid 71 and name HG) 3.136 1.229 2.729 weight 1.000 ! spec=HCH_al, no=1367, id=3177, vol=2.490000e+06
assign (resid 70 and name HA) (resid 71 and name HD12) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=1369, id=3179, vol=1.920000e+06
    or (resid   70 and name   HA) (resid   71 and name HD11)
    or (resid   70 and name   HA) (resid   71 and name HD13)
assign (resid 76 and name HE1) (resid 70 and name HB2) 2.852 1.017 2.517 weight 1.000 ! spec=HCH_al, no=1371, id=3181, vol=4.400000e+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 HB2) (resid 70 and name HN) 1.996 0.498 1.998 weight 1.000 ! spec=HCH_al, no=1373, id=3183, vol=3.740000e+07
    or (resid   70 and name  HB1) (resid   70 and name   HN)
    or (resid   70 and name  HB3) (resid   70 and name   HN)
assign (resid 70 and name HB2) (resid 76 and name HE3) 2.981 1.111 2.611 weight 1.000 ! spec=HCH_al, no=1374, id=3184, vol=3.370000e+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) 2.587 0.837 2.337 weight 1.000 ! spec=HCH_al, no=1376, id=3186, vol=7.890000e+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) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=1378, id=3188, vol=4.750000e+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 74 and name HA) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1381, id=3191, 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 HA) (resid 70 and name HB2) 2.063 0.532 2.032 weight 1.000 ! spec=HCH_al, no=1382, id=3192, vol=3.070000e+07
    or (resid   70 and name   HA) (resid   70 and name  HB1)
    or (resid   70 and name   HA) (resid   70 and name  HB3)
assign (resid 71 and name HA) (resid 72 and name HN) 2.902 1.053 2.553 weight 1.000 ! spec=HCH_al, no=1387, id=3197, vol=3.960000e+06
assign (resid 71 and name HA) (resid 71 and name HN) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=1388, id=3198, vol=4.180000e+06
assign (resid 71 and name HA) (resid 71 and name HB1) 2.956 1.092 2.592 weight 1.000 ! spec=HCH_al, no=1390, id=3200, vol=3.550000e+06
assign (resid 71 and name HA) (resid 69 and name HG) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=1392, id=3202, vol=1.110000e+06
assign (resid 71 and name HN) (resid 71 and name HG) 2.710 0.918 2.418 weight 1.000 ! spec=HCH_al, no=1395, id=3205, vol=5.980000e+06
assign (resid 71 and name HG) (resid 76 and name HA) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=1396, id=3206, vol=1.980000e+06
assign (resid 71 and name HA) (resid 71 and name HG) 2.617 0.856 2.356 weight 1.000 ! spec=HCH_al, no=1397, id=3207, vol=7.370000e+06
assign (resid 71 and name HG) (resid 70 and name HB2) 3.486 1.519 3.019 weight 1.000 ! spec=HCH_al, no=1399, id=3209, vol=1.320000e+06
    or (resid   71 and name   HG) (resid   70 and name  HB1)
    or (resid   71 and name   HG) (resid   70 and name  HB3)
assign (resid 71 and name HD12) (resid 71 and name HB2) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1401, id=3211, vol=1.200000e+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 80 and name HN) (resid 80 and name HA) 2.307 0.665 2.165 weight 1.000 ! spec=HCH_al, no=1402, id=3212, vol=1.570000e+07
assign (resid 82 and name HN) (resid 80 and name HA) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_al, no=1403, id=3213, vol=2.210000e+06
assign (resid 72 and name HB2) (resid 72 and name HA) 2.121 0.562 2.062 weight 1.000 ! spec=HCH_al, no=1406, id=3216, vol=2.600000e+07
assign (resid 72 and name HB1) (resid 72 and name HN) 3.054 1.165 2.665 weight 1.000 ! spec=HCH_al, no=1407, id=3217, vol=2.920000e+06
assign (resid 73 and name HA) (resid 73 and name HN) 2.577 0.830 2.33 weight 1.000 ! spec=HCH_al, no=1411, id=3221, vol=8.090000e+06
assign (resid 73 and name HA) (resid 73 and name HB2) 2.330 0.678 2.178 weight 1.000 ! spec=HCH_al, no=1412, id=3222, vol=1.480000e+07
assign (resid 73 and name HA) (resid 73 and name HB1) 2.577 0.830 2.33 weight 1.000 ! spec=HCH_al, no=1413, id=3223, vol=8.090000e+06
assign (resid 73 and name HB2) (resid 73 and name HB1) 2.034 0.517 2.017 weight 1.000 ! spec=HCH_al, no=1419, id=3229, vol=3.340000e+07
assign (resid 75 and name HN) (resid 74 and name HG2) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=1424, id=3234, vol=1.690000e+06
    or (resid   75 and name   HN) (resid   74 and name  HG1)
assign (resid 32 and name HA) (resid 75 and name HA) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1426, id=3236, vol=7.150000e+06
assign (resid 75 and name HA) (resid 32 and name HB1) 3.386 1.433 2.933 weight 1.000 ! spec=HCH_al, no=1427, id=3237, vol=1.570000e+06
assign (resid 74 and name HN) (resid 75 and name HG21) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=1448, id=3241, vol=3.500000e+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 32 and name HA) (resid 75 and name HG21) 2.090 0.546 2.046 weight 1.000 ! spec=HCH_al, no=1450, id=3243, vol=2.840000e+07
    or (resid   32 and name   HA) (resid   75 and name HG22)
    or (resid   32 and name   HA) (resid   75 and name HG23)
assign (resid 75 and name HG21) (resid 75 and name HB) 1.992 0.496 1.996 weight 1.000 ! spec=HCH_al, no=1452, id=3245, vol=3.790000e+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 75 and name HG21) (resid 32 and name HB1) 2.084 0.543 2.043 weight 1.000 ! spec=HCH_al, no=1453, id=3246, vol=2.890000e+07
    or (resid   75 and name HG22) (resid   32 and name  HB1)
    or (resid   75 and name HG23) (resid   32 and name  HB1)
assign (resid 76 and name HA) (resid 77 and name HN) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=1457, id=3249, vol=1.270000e+07
assign (resid 71 and name HN) (resid 76 and name HA) 2.865 1.026 2.526 weight 1.000 ! spec=HCH_al, no=1458, id=3250, vol=4.280000e+06
assign (resid 70 and name HA) (resid 76 and name HA) 2.712 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1461, id=3252, vol=5.950000e+06
assign (resid 76 and name HA) (resid 76 and name HB2) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1462, id=3253, vol=6.760000e+06
    or (resid   76 and name   HA) (resid   76 and name  HB1)
assign (resid 76 and name HB2) (resid 68 and name HZ) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=1466, id=3257, vol=1.560000e+06
    or (resid   76 and name  HB1) (resid   68 and name   HZ)
assign (resid 76 and name HB2) (resid 68 and name HD1) 3.136 1.229 2.729 weight 1.000 ! spec=HCH_al, no=1468, id=3259, vol=2.490000e+06
    or (resid   76 and name  HB2) (resid   68 and name  HD2)
    or (resid   76 and name  HB1) (resid   68 and name  HD1)
    or (resid   76 and name  HB1) (resid   68 and name  HD2)
assign (resid 76 and name HB2) (resid 36 and name HD22) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=1472, id=3262, vol=2.970000e+06
    or (resid   76 and name  HB2) (resid   36 and name HD21)
    or (resid   76 and name  HB2) (resid   36 and name HD23)
    or (resid   76 and name  HB2) (resid   36 and name HD12)
    or (resid   76 and name  HB2) (resid   36 and name HD11)
    or (resid   76 and name  HB2) (resid   36 and name HD13)
    or (resid   76 and name  HB1) (resid   36 and name HD22)
    or (resid   76 and name  HB1) (resid   36 and name HD21)
    or (resid   76 and name  HB1) (resid   36 and name HD23)
    or (resid   76 and name  HB1) (resid   36 and name HD12)
    or (resid   76 and name  HB1) (resid   36 and name HD11)
    or (resid   76 and name  HB1) (resid   36 and name HD13)
assign (resid 76 and name HB2) (resid 70 and name HB2) 4.322 2.335 3.835 weight 1.000 ! spec=HCH_al, no=1473, id=3263, vol=3.630000e+05
    or (resid   76 and name  HB2) (resid   70 and name  HB1)
    or (resid   76 and name  HB2) (resid   70 and name  HB3)
    or (resid   76 and name  HB1) (resid   70 and name  HB2)
    or (resid   76 and name  HB1) (resid   70 and name  HB1)
    or (resid   76 and name  HB1) (resid   70 and name  HB3)
assign (resid 79 and name HN) (resid 78 and name HA) 2.593 0.841 2.341 weight 1.000 ! spec=HCH_al, no=1474, id=3264, vol=7.780000e+06
assign (resid 78 and name HA) (resid 68 and name HA) 2.777 0.964 2.464 weight 1.000 ! spec=HCH_al, no=1476, id=3266, vol=5.160000e+06
assign (resid 78 and name HN) (resid 78 and name HA) 3.047 1.160 2.66 weight 1.000 ! spec=HCH_al, no=1477, id=3267, vol=2.960000e+06
assign (resid 78 and name HA) (resid 79 and name HA) 3.313 1.372 2.872 weight 1.000 ! spec=HCH_al, no=1478, id=3268, vol=1.790000e+06
assign (resid 78 and name HA) (resid 79 and name HB2) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1479, id=3269, vol=1.760000e+06
assign (resid 78 and name HA) (resid 78 and name HD12) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=1482, id=3272, vol=2.720000e+06
    or (resid   78 and name   HA) (resid   78 and name HD11)
    or (resid   78 and name   HA) (resid   78 and name HD13)
assign (resid 78 and name HA) (resid 78 and name HG) 3.369 1.418 2.918 weight 1.000 ! spec=HCH_al, no=1483, id=3273, vol=1.620000e+06
assign (resid 78 and name HA) (resid 78 and name HB1) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=1485, id=3275, vol=2.080000e+06
assign (resid 25 and name HN) (resid 78 and name HD12) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=1490, id=3280, vol=1.140000e+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 81 and name HZ2) 2.505 0.785 2.285 weight 1.000 ! spec=HCH_al, no=1491, id=3281, vol=9.570000e+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 78 and name HD12) (resid 21 and name HD2) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=1492, id=3282, vol=3.500000e+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 78 and name HD12) (resid 68 and name HA) 3.499 1.530 3.03 weight 1.000 ! spec=HCH_al, no=1493, id=3283, vol=1.290000e+06
    or (resid   78 and name HD11) (resid   68 and name   HA)
    or (resid   78 and name HD13) (resid   68 and name   HA)
assign (resid 24 and name HB2) (resid 78 and name HD12) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=1495, id=3285, vol=1.040000e+07
    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 HB1) (resid 78 and name HD12) 2.491 0.776 2.276 weight 1.000 ! spec=HCH_al, no=1496, id=3286, vol=9.910000e+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 25 and name HG2) (resid 78 and name HD12) 2.692 0.906 2.406 weight 1.000 ! spec=HCH_al, no=1497, id=3287, vol=6.220000e+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) 2.312 0.668 2.168 weight 1.000 ! spec=HCH_al, no=1498, id=3288, vol=1.550000e+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 21 and name HN) (resid 78 and name HD22) 3.189 1.271 2.771 weight 1.000 ! spec=HCH_al, no=1500, id=3289, vol=2.250000e+06
    or (resid   21 and name   HN) (resid   78 and name HD21)
    or (resid   21 and name   HN) (resid   78 and name HD23)
assign (resid 79 and name HN) (resid 78 and name HD22) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1501, id=3290, vol=1.200000e+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) 2.501 0.782 2.282 weight 1.000 ! spec=HCH_al, no=1502, id=3291, vol=9.660000e+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) 2.471 0.763 2.263 weight 1.000 ! spec=HCH_al, no=1503, id=3292, vol=1.040000e+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) 2.657 0.883 2.383 weight 1.000 ! spec=HCH_al, no=1504, id=3293, vol=6.720000e+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) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=1505, id=3294, vol=1.080000e+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 68 and name HA) (resid 78 and name HD22) 2.687 0.902 2.402 weight 1.000 ! spec=HCH_al, no=1506, id=3295, vol=6.290000e+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 78 and name HA) (resid 78 and name HD22) 2.305 0.664 2.164 weight 1.000 ! spec=HCH_al, no=1508, id=3297, vol=1.580000e+07
    or (resid   78 and name   HA) (resid   78 and name HD21)
    or (resid   78 and name   HA) (resid   78 and name HD23)
assign (resid 21 and name HA) (resid 78 and name HD22) 2.490 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1509, id=3298, vol=9.940000e+06
    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) 2.583 0.834 2.334 weight 1.000 ! spec=HCH_al, no=1512, id=3301, vol=7.970000e+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) 2.663 0.886 2.386 weight 1.000 ! spec=HCH_al, no=1513, id=3302, vol=6.640000e+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) 3.319 1.377 2.877 weight 1.000 ! spec=HCH_al, no=1514, id=3303, vol=1.770000e+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) 3.173 1.258 2.758 weight 1.000 ! spec=HCH_al, no=1515, id=3304, vol=2.320000e+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) 3.045 1.159 2.659 weight 1.000 ! spec=HCH_al, no=1516, id=3305, vol=2.970000e+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) 2.723 0.927 2.427 weight 1.000 ! spec=HCH_al, no=1518, id=3307, vol=5.810000e+06
    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) 2.554 0.816 2.316 weight 1.000 ! spec=HCH_al, no=1521, id=3309, vol=8.520000e+06
    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) 2.686 0.902 2.402 weight 1.000 ! spec=HCH_al, no=1522, id=3310, vol=6.300000e+06
assign (resid 79 and name HA) (resid 79 and name HB2) 2.610 0.852 2.352 weight 1.000 ! spec=HCH_al, no=1524, id=3312, vol=7.480000e+06
assign (resid 69 and name HB1) (resid 79 and name HA) 2.846 1.013 2.513 weight 1.000 ! spec=HCH_al, no=1526, id=3314, vol=4.450000e+06
assign (resid 79 and name HA) (resid 69 and name HD12) 2.817 0.992 2.492 weight 1.000 ! spec=HCH_al, no=1527, id=3315, vol=4.740000e+06
    or (resid   79 and name   HA) (resid   69 and name HD11)
    or (resid   79 and name   HA) (resid   69 and name HD13)
assign (resid 79 and name HB2) (resid 79 and name HN) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=1529, id=3317, vol=1.030000e+07
assign (resid 79 and name HN) (resid 79 and name HB1) 2.763 0.954 2.454 weight 1.000 ! spec=HCH_al, no=1530, id=3318, vol=5.320000e+06
assign (resid 79 and name HB1) (resid 78 and name HA) 3.673 1.686 3.186 weight 1.000 ! spec=HCH_al, no=1531, id=3319, vol=9.640000e+05
assign (resid 79 and name HG2) (resid 79 and name HA) 2.821 0.994 2.494 weight 1.000 ! spec=HCH_al, no=1534, id=3322, vol=4.700000e+06
assign (resid 79 and name HA) (resid 79 and name HG1) 2.812 0.988 2.488 weight 1.000 ! spec=HCH_al, no=1537, id=3325, vol=4.790000e+06
assign (resid 79 and name HG1) (resid 79 and name HD1) 2.862 1.024 2.524 weight 1.000 ! spec=HCH_al, no=1538, id=3326, vol=4.310000e+06
assign (resid 80 and name HN) (resid 80 and name HB2) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=1539, id=3327, vol=4.030000e+06
assign (resid 80 and name HB2) (resid 81 and name HN) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=1540, id=3328, vol=1.180000e+06
assign (resid 80 and name HB2) (resid 80 and name HB1) 2.257 0.637 2.137 weight 1.000 ! spec=HCH_al, no=1541, id=3329, vol=1.790000e+07
assign (resid 80 and name HB1) (resid 80 and name HN) 2.762 0.954 2.454 weight 1.000 ! spec=HCH_al, no=1542, id=3330, vol=5.330000e+06
assign (resid 82 and name HN) (resid 81 and name HA) 3.148 1.239 2.739 weight 1.000 ! spec=HCH_al, no=1546, id=3334, vol=2.430000e+06
assign (resid 81 and name HN) (resid 81 and name HA) 2.653 0.880 2.38 weight 1.000 ! spec=HCH_al, no=1547, id=3335, vol=6.790000e+06
assign (resid 81 and name HB1) (resid 81 and name HE3) 3.244 1.316 2.816 weight 1.000 ! spec=HCH_al, no=1553, id=3341, vol=2.030000e+06
assign (resid 81 and name HB1) (resid 81 and name HZ3) 3.277 1.343 2.843 weight 1.000 ! spec=HCH_al, no=1556, id=3344, vol=1.910000e+06
assign (resid 81 and name HB1) (resid 81 and name HA) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=1557, id=3345, vol=5.420000e+06
assign (resid 81 and name HB1) (resid 81 and name HB2) 2.609 0.851 2.351 weight 1.000 ! spec=HCH_al, no=1558, id=3346, vol=7.500000e+06
assign (resid 82 and name HN) (resid 82 and name HA) 2.534 0.803 2.303 weight 1.000 ! spec=HCH_al, no=1559, id=3347, vol=8.930000e+06
assign (resid 82 and name HA) (resid 82 and name HB2) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=1562, id=3350, vol=7.450000e+06
assign (resid 82 and name HB2) (resid 82 and name HD1) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=1564, id=3352, vol=1.380000e+07
    or (resid   82 and name  HB2) (resid   82 and name  HD2)
assign (resid 82 and name HB2) (resid 84 and name HE1) 3.090 1.193 2.693 weight 1.000 ! spec=HCH_al, no=1565, id=3353, vol=2.720000e+06
    or (resid   82 and name  HB2) (resid   84 and name  HE2)
assign (resid 82 and name HB1) (resid 82 and name HB2) 2.539 0.806 2.306 weight 1.000 ! spec=HCH_al, no=1573, id=3361, vol=8.840000e+06
assign (resid 82 and name HB1) (resid 69 and name HD22) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1574, id=3362, vol=1.760000e+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 83 and name HD1) (resid 84 and name HN) 2.800 0.980 2.48 weight 1.000 ! spec=HCH_al, no=1592, id=3369, vol=4.910000e+06
assign (resid 82 and name HB2) (resid 83 and name HD1) 2.698 0.910 2.41 weight 1.000 ! spec=HCH_al, no=1598, id=3374, vol=6.130000e+06
assign (resid 83 and name HD1) (resid 82 and name HB1) 2.871 1.030 2.53 weight 1.000 ! spec=HCH_al, no=1599, id=3375, vol=4.230000e+06
assign (resid 93 and name HG2) (resid 83 and name HD1) 1.875 0.439 1.939 weight 1.000 ! spec=HCH_al, no=1601, id=3377, vol=5.450000e+07
    or (resid   93 and name  HG1) (resid   83 and name  HD1)
assign (resid 83 and name HD1) (resid 93 and name HB1) 2.013 0.506 2.006 weight 1.000 ! spec=HCH_al, no=1602, id=3378, vol=3.560000e+07
assign (resid 24 and name HB1) (resid 78 and name HB2) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1610, id=3385, vol=1.070000e+06
assign (resid 87 and name HN) (resid 86 and name HG1) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=1629, id=3394, vol=6.100000e+06
assign (resid 86 and name HN) (resid 86 and name HG1) 2.327 0.677 2.177 weight 1.000 ! spec=HCH_al, no=1630, id=3395, vol=1.490000e+07
assign (resid 86 and name HE22) (resid 86 and name HG1) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=1631, id=3396, vol=5.480000e+06
assign (resid 3 and name HG22) (resid 3 and name HG11) 2.060 0.530 2.03 weight 1.000 ! spec=HCH_al, no=1640, id=3403, vol=3.100000e+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) 1.759 0.387 1.887 weight 1.000 ! spec=HCH_al, no=1642, id=3405, vol=7.990000e+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 2 and name HA2) 2.490 0.775 2.275 weight 1.000 ! spec=HCH_al, no=1644, id=3407, vol=9.930000e+06
    or (resid    3 and name HG21) (resid    2 and name  HA2)
    or (resid    3 and name HG23) (resid    2 and name  HA2)
assign (resid 3 and name HG22) (resid 23 and name HN) 2.924 1.068 2.568 weight 1.000 ! spec=HCH_al, no=1649, id=3412, vol=3.790000e+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) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_al, no=1650, id=3413, vol=7.720000e+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 HA) (resid 3 and name HG11) 2.749 0.944 2.444 weight 1.000 ! spec=HCH_al, no=1652, id=3415, vol=5.490000e+06
assign (resid 54 and name HB1) (resid 54 and name HD1) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_al, no=1653, id=3416, vol=2.160000e+06
assign (resid 48 and name HB1) (resid 48 and name HE2) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=1656, id=3419, vol=7.460000e+06
    or (resid   48 and name  HB1) (resid   48 and name  HE1)
assign (resid 48 and name HB1) (resid 48 and name HN) 2.548 0.812 2.312 weight 1.000 ! spec=HCH_al, no=1657, id=3420, vol=8.650000e+06
assign (resid 12 and name HA) (resid 12 and name HG1) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=1660, id=3423, vol=9.010000e+06
assign (resid 4 and name HN) (resid 4 and name HG2) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=1661, id=3424, vol=1.060000e+07
assign (resid 56 and name HN) (resid 56 and name HA) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=1665, id=3428, vol=1.220000e+07
assign (resid 5 and name HA) (resid 5 and name HB2) 2.225 0.619 2.119 weight 1.000 ! spec=HCH_al, no=1672, id=3435, vol=1.950000e+07
    or (resid    5 and name   HA) (resid    5 and name  HB1)
assign (resid 6 and name HB2) (resid 6 and name HA) 2.761 0.953 2.453 weight 1.000 ! spec=HCH_al, no=1673, id=3436, vol=5.340000e+06
assign (resid 8 and name HN) (resid 7 and name HA) 2.203 0.607 2.107 weight 1.000 ! spec=HCH_al, no=1674, id=3437, vol=2.070000e+07
assign (resid 10 and name HA) (resid 13 and name HG2) 2.603 0.847 2.347 weight 1.000 ! spec=HCH_al, no=1676, id=3439, vol=7.610000e+06
assign (resid 8 and name HG1) (resid 7 and name HA) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_al, no=1681, id=3443, vol=1.930000e+06
assign (resid 8 and name HN) (resid 8 and name HG1) 2.725 0.928 2.428 weight 1.000 ! spec=HCH_al, no=1683, id=3445, vol=5.780000e+06
assign (resid 49 and name HN) (resid 49 and name HB2) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=1686, id=3448, vol=1.110000e+07
    or (resid   49 and name   HN) (resid   49 and name  HB1)
assign (resid 9 and name HB2) (resid 10 and name HN) 2.943 1.083 2.583 weight 1.000 ! spec=HCH_al, no=1688, id=3450, vol=3.640000e+06
assign (resid 9 and name HB1) (resid 10 and name HN) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_al, no=1689, id=3451, vol=3.620000e+06
assign (resid 10 and name HN) (resid 9 and name HG1) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1693, id=3455, vol=1.200000e+07
assign (resid 74 and name HN) (resid 74 and name HA) 2.330 0.678 2.178 weight 1.000 ! spec=HCH_al, no=1700, id=3462, vol=1.480000e+07
assign (resid 8 and name HA) (resid 11 and name HD12) 2.188 0.598 2.098 weight 1.000 ! spec=HCH_al, no=1702, id=3463, vol=2.160000e+07
    or (resid    8 and name   HA) (resid   11 and name HD11)
    or (resid    8 and name   HA) (resid   11 and name HD13)
assign (resid 11 and name HN) (resid 11 and name HD12) 2.513 0.789 2.289 weight 1.000 ! spec=HCH_al, no=1703, id=3464, vol=9.400000e+06
    or (resid   11 and name   HN) (resid   11 and name HD11)
    or (resid   11 and name   HN) (resid   11 and name HD13)
assign (resid 11 and name HD12) (resid 11 and name HG) 2.090 0.546 2.046 weight 1.000 ! spec=HCH_al, no=1706, id=3467, vol=2.840000e+07
    or (resid   11 and name HD11) (resid   11 and name   HG)
    or (resid   11 and name HD13) (resid   11 and name   HG)
assign (resid 6 and name HB1) (resid 11 and name HD22) 2.444 0.747 2.247 weight 1.000 ! spec=HCH_al, no=1707, id=3468, vol=1.110000e+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 HD12) (resid 6 and name HB1) 3.201 1.281 2.781 weight 1.000 ! spec=HCH_al, no=1708, id=3469, vol=2.200000e+06
    or (resid   11 and name HD11) (resid    6 and name  HB1)
    or (resid   11 and name HD13) (resid    6 and name  HB1)
assign (resid 6 and name HB2) (resid 11 and name HD22) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1709, id=3470, vol=1.200000e+07
    or (resid    6 and name  HB2) (resid   11 and name HD21)
    or (resid    6 and name  HB2) (resid   11 and name HD23)
assign (resid 71 and name HD12) (resid 75 and name HB) 1.996 0.498 1.998 weight 1.000 ! spec=HCH_al, no=1711, id=3472, vol=3.740000e+07
    or (resid   71 and name HD11) (resid   75 and name   HB)
    or (resid   71 and name HD13) (resid   75 and name   HB)
assign (resid 69 and name HA) (resid 69 and name HD12) 2.105 0.554 2.054 weight 1.000 ! spec=HCH_al, no=1713, id=3474, vol=2.720000e+07
    or (resid   69 and name   HA) (resid   69 and name HD11)
    or (resid   69 and name   HA) (resid   69 and name HD13)
assign (resid 6 and name HN) (resid 11 and name HD22) 2.701 0.912 2.412 weight 1.000 ! spec=HCH_al, no=1714, id=3475, vol=6.090000e+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 69 and name HD12) (resid 70 and name HN) 2.012 0.506 2.006 weight 1.000 ! spec=HCH_al, no=1716, id=3477, vol=3.570000e+07
    or (resid   69 and name HD11) (resid   70 and name   HN)
    or (resid   69 and name HD13) (resid   70 and name   HN)
assign (resid 13 and name HN) (resid 12 and name HA) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_al, no=1718, id=3479, vol=6.750000e+06
assign (resid 12 and name HB1) (resid 12 and name HG1) 2.317 0.671 2.171 weight 1.000 ! spec=HCH_al, no=1719, id=3480, vol=1.530000e+07
assign (resid 12 and name HB1) (resid 12 and name HE2) 3.107 1.207 2.707 weight 1.000 ! spec=HCH_al, no=1721, id=3482, vol=2.630000e+06
    or (resid   12 and name  HB1) (resid   12 and name  HE1)
assign (resid 12 and name HB1) (resid 13 and name HN) 2.938 1.079 2.579 weight 1.000 ! spec=HCH_al, no=1722, id=3483, vol=3.680000e+06
assign (resid 29 and name HA) (resid 29 and name HD2) 2.543 0.808 2.308 weight 1.000 ! spec=HCH_al, no=1727, id=3488, vol=8.750000e+06
    or (resid   29 and name   HA) (resid   29 and name  HD1)
assign (resid 14 and name HG1) (resid 13 and name HN) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=1732, id=3493, vol=2.760000e+06
assign (resid 71 and name HG) (resid 77 and name HN) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=1751, id=3496, vol=1.890000e+06
assign (resid 48 and name HA) (resid 48 and name HB1) 2.550 0.813 2.313 weight 1.000 ! spec=HCH_al, no=1752, id=3497, vol=8.610000e+06
assign (resid 48 and name HN) (resid 47 and name HD2) 2.746 0.943 2.443 weight 1.000 ! spec=HCH_al, no=1753, id=3498, vol=5.520000e+06
    or (resid   48 and name   HN) (resid   47 and name  HD1)
assign (resid 8 and name HG2) (resid 12 and name HN) 3.536 1.563 3.063 weight 1.000 ! spec=HCH_al, no=1757, id=3502, vol=1.210000e+06
assign (resid 49 and name HG2) (resid 48 and name HG2) 3.390 1.436 2.936 weight 1.000 ! spec=HCH_al, no=1761, id=3506, vol=1.560000e+06
    or (resid   49 and name  HG2) (resid   48 and name  HG1)
assign (resid 49 and name HG1) (resid 48 and name HG2) 3.050 1.163 2.663 weight 1.000 ! spec=HCH_al, no=1762, id=3507, vol=2.940000e+06
    or (resid   49 and name  HG1) (resid   48 and name  HG1)
assign (resid 49 and name HA) (resid 49 and name HG2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=1763, id=3508, vol=1.310000e+07
assign (resid 10 and name HB2) (resid 10 and name HA) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=1764, id=3509, vol=1.090000e+07
assign (resid 10 and name HB2) (resid 10 and name HG2) 2.737 0.936 2.436 weight 1.000 ! spec=HCH_al, no=1765, id=3510, vol=5.630000e+06
    or (resid   10 and name  HB2) (resid   10 and name  HG1)
assign (resid 7 and name HN) (resid 10 and name HG2) 3.015 1.136 2.636 weight 1.000 ! spec=HCH_al, no=1766, id=3511, vol=3.150000e+06
    or (resid    7 and name   HN) (resid   10 and name  HG1)
assign (resid 14 and name HN) (resid 13 and name HA) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=1769, id=3514, vol=1.030000e+07
assign (resid 14 and name HG1) (resid 14 and name HG2) 1.846 0.426 1.926 weight 1.000 ! spec=HCH_al, no=1770, id=3515, vol=5.990000e+07
assign (resid 15 and name HA) (resid 16 and name HB1) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=1772, id=3516, vol=1.640000e+06
assign (resid 15 and name HB2) (resid 17 and name HG22) 1.944 0.472 1.972 weight 1.000 ! spec=HCH_al, no=1774, id=3518, vol=4.390000e+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 14 and name HB2) 2.820 0.994 2.494 weight 1.000 ! spec=HCH_al, no=1775, id=3519, vol=4.710000e+06
    or (resid   15 and name  HB2) (resid   14 and name  HB1)
    or (resid   15 and name  HB1) (resid   14 and name  HB2)
    or (resid   15 and name  HB1) (resid   14 and name  HB1)
    or (resid   15 and name  HB3) (resid   14 and name  HB2)
    or (resid   15 and name  HB3) (resid   14 and name  HB1)
assign (resid 15 and name HB2) (resid 18 and name HG1) 2.279 0.649 2.149 weight 1.000 ! spec=HCH_al, no=1777, id=3521, vol=1.690000e+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) 2.297 0.660 2.16 weight 1.000 ! spec=HCH_al, no=1778, id=3522, vol=1.610000e+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 HA) (resid 15 and name HB2) 1.862 0.433 1.933 weight 1.000 ! spec=HCH_al, no=1779, id=3523, vol=5.680000e+07
    or (resid   15 and name   HA) (resid   15 and name  HB1)
    or (resid   15 and name   HA) (resid   15 and name  HB3)
assign (resid 19 and name HN) (resid 15 and name HB2) 2.848 1.014 2.514 weight 1.000 ! spec=HCH_al, no=1780, id=3524, vol=4.440000e+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) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=1781, id=3525, vol=1.210000e+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 58 and name HB1) (resid 16 and name HB2) 3.645 1.660 3.16 weight 1.000 ! spec=HCH_al, no=1782, id=3526, vol=1.010000e+06
assign (resid 16 and name HB1) (resid 58 and name HE1) 3.651 1.666 3.166 weight 1.000 ! spec=HCH_al, no=1785, id=3529, vol=1.000000e+06
    or (resid   16 and name  HB1) (resid   58 and name  HE2)
assign (resid 16 and name HB2) (resid 16 and name HD12) 2.309 0.667 2.167 weight 1.000 ! spec=HCH_al, no=1787, id=3531, vol=1.560000e+07
    or (resid   16 and name  HB2) (resid   16 and name HD11)
    or (resid   16 and name  HB2) (resid   16 and name HD13)
assign (resid 16 and name HD12) (resid 54 and name HB2) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=1789, id=3533, vol=1.240000e+07
    or (resid   16 and name HD11) (resid   54 and name  HB2)
    or (resid   16 and name HD13) (resid   54 and name  HB2)
assign (resid 16 and name HD12) (resid 54 and name HD1) 2.711 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1790, id=3534, vol=5.960000e+06
    or (resid   16 and name HD11) (resid   54 and name  HD1)
    or (resid   16 and name HD13) (resid   54 and name  HD1)
assign (resid 58 and name HB1) (resid 16 and name HD12) 2.409 0.726 2.226 weight 1.000 ! spec=HCH_al, no=1791, id=3535, vol=1.210000e+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) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_al, no=1792, id=3536, vol=3.630000e+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 55 and name HN) (resid 16 and name HD12) 3.184 1.268 2.768 weight 1.000 ! spec=HCH_al, no=1794, id=3538, vol=2.270000e+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) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=1795, id=3539, vol=5.540000e+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) 2.808 0.985 2.485 weight 1.000 ! spec=HCH_al, no=1796, id=3540, vol=4.830000e+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) 3.261 1.329 2.829 weight 1.000 ! spec=HCH_al, no=1797, id=3541, vol=1.970000e+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 16 and name HD22) (resid 16 and name HG) 1.953 0.477 1.977 weight 1.000 ! spec=HCH_al, no=1799, id=3542, vol=4.260000e+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 HD22) (resid 54 and name HG1) 2.346 0.688 2.188 weight 1.000 ! spec=HCH_al, no=1800, id=3543, vol=1.420000e+07
    or (resid   16 and name HD21) (resid   54 and name  HG1)
    or (resid   16 and name HD23) (resid   54 and name  HG1)
assign (resid 16 and name HD22) (resid 58 and name HA) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=1803, id=3545, vol=1.660000e+06
    or (resid   16 and name HD21) (resid   58 and name   HA)
    or (resid   16 and name HD23) (resid   58 and name   HA)
assign (resid 16 and name HD22) (resid 16 and name HN) 2.293 0.657 2.157 weight 1.000 ! spec=HCH_al, no=1808, id=3550, vol=1.630000e+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 17 and name HN) (resid 16 and name HD22) 2.812 0.988 2.488 weight 1.000 ! spec=HCH_al, no=1809, id=3551, vol=4.790000e+06
    or (resid   17 and name   HN) (resid   16 and name HD21)
    or (resid   17 and name   HN) (resid   16 and name HD23)
assign (resid 20 and name HN) (resid 17 and name HA) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=1810, id=3552, vol=2.760000e+06
assign (resid 17 and name HB) (resid 62 and name HD22) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=1811, id=3553, vol=1.360000e+06
    or (resid   17 and name   HB) (resid   62 and name HD21)
    or (resid   17 and name   HB) (resid   62 and name HD23)
assign (resid 17 and name HB) (resid 20 and name HN) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1813, id=3555, vol=1.760000e+06
assign (resid 8 and name HN) (resid 8 and name HB1) 2.483 0.771 2.271 weight 1.000 ! spec=HCH_al, no=1814, id=3556, vol=1.010000e+07
assign (resid 13 and name HG2) (resid 13 and name HB1) 2.039 0.520 2.02 weight 1.000 ! spec=HCH_al, no=1815, id=3557, vol=3.290000e+07
assign (resid 19 and name HG22) (resid 20 and name HA) 2.648 0.876 2.376 weight 1.000 ! spec=HCH_al, no=1817, id=3559, vol=6.870000e+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 19 and name HG22) (resid 19 and name HN) 2.504 0.784 2.284 weight 1.000 ! spec=HCH_al, no=1818, id=3560, vol=9.600000e+06
    or (resid   19 and name HG21) (resid   19 and name   HN)
    or (resid   19 and name HG23) (resid   19 and name   HN)
assign (resid 22 and name HN) (resid 19 and name HG22) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=1819, id=3561, vol=2.580000e+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 20 and name HN) (resid 19 and name HG22) 2.459 0.756 2.256 weight 1.000 ! spec=HCH_al, no=1822, id=3564, vol=1.070000e+07
    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 HB2) (resid 21 and name HB1) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_al, no=1826, id=3568, vol=3.620000e+06
    or (resid   20 and name  HB1) (resid   21 and name  HB1)
    or (resid   20 and name  HB3) (resid   21 and name  HB1)
assign (resid 56 and name HB2) (resid 56 and name HA) 1.828 0.418 1.918 weight 1.000 ! spec=HCH_al, no=1827, id=3569, vol=6.340000e+07
    or (resid   56 and name  HB1) (resid   56 and name   HA)
    or (resid   56 and name  HB3) (resid   56 and name   HA)
assign (resid 57 and name HN) (resid 56 and name HB2) 2.086 0.544 2.044 weight 1.000 ! spec=HCH_al, no=1828, id=3570, vol=2.870000e+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) 3.316 1.375 2.875 weight 1.000 ! spec=HCH_al, no=1829, id=3571, vol=1.780000e+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 21 and name HA) 3.372 1.421 2.921 weight 1.000 ! spec=HCH_al, no=1830, id=3572, vol=1.610000e+06
assign (resid 21 and name HN) (resid 21 and name HB1) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=1831, id=3573, vol=5.180000e+06
assign (resid 25 and name HN) (resid 25 and name HB2) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=1832, id=3574, vol=1.820000e+07
    or (resid   25 and name   HN) (resid   25 and name  HB1)
assign (resid 22 and name HG1) (resid 22 and name HG2) 1.974 0.487 1.987 weight 1.000 ! spec=HCH_al, no=1833, id=3575, vol=4.000000e+07
assign (resid 23 and name HA) (resid 26 and name HN) 2.902 1.053 2.553 weight 1.000 ! spec=HCH_al, no=1834, id=3576, vol=3.960000e+06
assign (resid 11 and name HG) (resid 6 and name HB1) 3.358 1.410 2.91 weight 1.000 ! spec=HCH_al, no=1837, id=3577, vol=1.650000e+06
assign (resid 23 and name HD12) (resid 23 and name HA) 1.839 0.423 1.923 weight 1.000 ! spec=HCH_al, no=1839, id=3578, vol=6.110000e+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 23 and name HD22) (resid 23 and name HG) 2.083 0.542 2.042 weight 1.000 ! spec=HCH_al, no=1848, id=3581, vol=2.900000e+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) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=1849, id=3582, vol=1.310000e+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 23 and name HD22) (resid 23 and name HA) 2.632 0.866 2.366 weight 1.000 ! spec=HCH_al, no=1851, id=3584, vol=7.120000e+06
    or (resid   23 and name HD21) (resid   23 and name   HA)
    or (resid   23 and name HD23) (resid   23 and name   HA)
assign (resid 23 and name HN) (resid 23 and name HD22) 2.488 0.774 2.274 weight 1.000 ! spec=HCH_al, no=1852, id=3585, vol=9.970000e+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 24 and name HB2) (resid 24 and name HA) 3.171 1.257 2.757 weight 1.000 ! spec=HCH_al, no=1853, id=3586, vol=2.330000e+06
assign (resid 35 and name HB2) (resid 31 and name HA) 2.990 1.118 2.618 weight 1.000 ! spec=HCH_al, no=1855, id=3588, vol=3.310000e+06
    or (resid   35 and name  HB1) (resid   31 and name   HA)
assign (resid 26 and name HN) (resid 26 and name HB2) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=1856, id=3589, vol=1.080000e+07
assign (resid 22 and name HA) (resid 25 and name HN) 2.935 1.077 2.577 weight 1.000 ! spec=HCH_al, no=1860, id=3593, vol=3.700000e+06
assign (resid 27 and name HB2) (resid 27 and name HB1) 2.309 0.667 2.167 weight 1.000 ! spec=HCH_al, no=1862, id=3595, vol=1.560000e+07
assign (resid 27 and name HB2) (resid 27 and name HA) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_al, no=1863, id=3596, vol=3.630000e+06
assign (resid 28 and name HA) (resid 81 and name HZ2) 2.766 0.957 2.457 weight 1.000 ! spec=HCH_al, no=1866, id=3599, vol=5.280000e+06
assign (resid 41 and name HN) (resid 37 and name HA) 3.066 1.175 2.675 weight 1.000 ! spec=HCH_al, no=1867, id=3600, vol=2.850000e+06
assign (resid 28 and name HB1) (resid 28 and name HN) 3.157 1.246 2.746 weight 1.000 ! spec=HCH_al, no=1868, id=3601, vol=2.390000e+06
assign (resid 28 and name HD1) (resid 28 and name HE2) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=1870, id=3603, vol=1.310000e+07
    or (resid   28 and name  HD1) (resid   28 and name  HE1)
assign (resid 30 and name HD2) (resid 71 and name HD12) 3.427 1.468 2.968 weight 1.000 ! spec=HCH_al, no=1878, id=3611, vol=1.460000e+06
    or (resid   30 and name  HD2) (resid   71 and name HD11)
    or (resid   30 and name  HD2) (resid   71 and name HD13)
assign (resid 31 and name HA) (resid 30 and name HA) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=1879, id=3612, vol=1.840000e+06
assign (resid 47 and name HB2) (resid 49 and name HN) 2.929 1.072 2.572 weight 1.000 ! spec=HCH_al, no=1882, id=3615, vol=3.750000e+06
assign (resid 34 and name HB2) (resid 33 and name HB1) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=1883, id=3616, vol=1.400000e+06
    or (resid   34 and name  HB1) (resid   33 and name  HB1)
assign (resid 32 and name HG2) (resid 34 and name HN) 3.144 1.236 2.736 weight 1.000 ! spec=HCH_al, no=1884, id=3617, vol=2.450000e+06
assign (resid 32 and name HG2) (resid 33 and name HN) 3.431 1.472 2.972 weight 1.000 ! spec=HCH_al, no=1885, id=3618, vol=1.450000e+06
assign (resid 32 and name HG2) (resid 32 and name HD2) 2.632 0.866 2.366 weight 1.000 ! spec=HCH_al, no=1886, id=3619, vol=7.120000e+06
assign (resid 32 and name HD1) (resid 35 and name HG1) 3.140 1.232 2.732 weight 1.000 ! spec=HCH_al, no=1887, id=3620, vol=2.470000e+06
assign (resid 32 and name HD2) (resid 32 and name HB2) 3.239 1.311 2.811 weight 1.000 ! spec=HCH_al, no=1888, id=3621, vol=2.050000e+06
assign (resid 32 and name HD2) (resid 35 and name HN) 3.664 1.678 3.178 weight 1.000 ! spec=HCH_al, no=1890, id=3623, vol=9.780000e+05
assign (resid 38 and name HB1) (resid 35 and name HB2) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=1905, id=3627, vol=2.760000e+06
    or (resid   38 and name  HB1) (resid   35 and name  HB1)
assign (resid 38 and name HB1) (resid 38 and name HB2) 2.052 0.526 2.026 weight 1.000 ! spec=HCH_al, no=1906, id=3628, vol=3.170000e+07
assign (resid 35 and name HA) (resid 38 and name HB1) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=1910, id=3631, vol=6.020000e+06
assign (resid 38 and name HA) (resid 38 and name HB2) 2.631 0.865 2.365 weight 1.000 ! spec=HCH_al, no=1911, id=3632, vol=7.140000e+06
assign (resid 38 and name HD22) (resid 38 and name HB2) 2.809 0.986 2.486 weight 1.000 ! spec=HCH_al, no=1913, id=3634, vol=4.820000e+06
assign (resid 38 and name HD22) (resid 38 and name HB1) 2.838 1.007 2.507 weight 1.000 ! spec=HCH_al, no=1914, id=3635, vol=4.530000e+06
assign (resid 38 and name HD21) (resid 38 and name HB2) 2.851 1.016 2.516 weight 1.000 ! spec=HCH_al, no=1915, id=3636, vol=4.410000e+06
assign (resid 38 and name HD21) (resid 38 and name HB1) 2.760 0.952 2.452 weight 1.000 ! spec=HCH_al, no=1916, id=3637, vol=5.350000e+06
assign (resid 38 and name HN) (resid 38 and name HB2) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=1917, id=3638, vol=1.020000e+07
assign (resid 38 and name HN) (resid 38 and name HB1) 2.521 0.795 2.295 weight 1.000 ! spec=HCH_al, no=1918, id=3639, vol=9.210000e+06
assign (resid 50 and name HN) (resid 49 and name HA) 2.727 0.929 2.429 weight 1.000 ! spec=HCH_al, no=1919, id=3640, vol=5.760000e+06
assign (resid 40 and name HA) (resid 39 and name HN) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1920, id=3641, vol=1.070000e+06
assign (resid 40 and name HA) (resid 40 and name HG22) 2.221 0.617 2.117 weight 1.000 ! spec=HCH_al, no=1924, id=3645, vol=1.970000e+07
    or (resid   40 and name   HA) (resid   40 and name HG21)
    or (resid   40 and name   HA) (resid   40 and name HG23)
assign (resid 46 and name HB) (resid 46 and name HG22) 1.925 0.463 1.963 weight 1.000 ! spec=HCH_al, no=1925, id=3646, vol=4.650000e+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 41 and name HA) (resid 46 and name HG22) 2.112 0.557 2.057 weight 1.000 ! spec=HCH_al, no=1926, id=3647, vol=2.670000e+07
    or (resid   41 and name   HA) (resid   46 and name HG21)
    or (resid   41 and name   HA) (resid   46 and name HG23)
assign (resid 46 and name HG22) (resid 42 and name HA) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=1928, id=3649, vol=5.860000e+06
    or (resid   46 and name HG21) (resid   42 and name   HA)
    or (resid   46 and name HG23) (resid   42 and name   HA)
assign (resid 46 and name HG22) (resid 47 and name HA) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=1929, id=3650, vol=3.160000e+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 HG22) (resid 41 and name HB2) 1.987 0.494 1.994 weight 1.000 ! spec=HCH_al, no=1931, id=3652, vol=3.840000e+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 41 and name HB2) (resid 44 and name HD22) 1.967 0.483 1.983 weight 1.000 ! spec=HCH_al, no=1932, id=3653, vol=4.090000e+07
    or (resid   41 and name  HB2) (resid   44 and name HD21)
    or (resid   41 and name  HB2) (resid   44 and name HD23)
    or (resid   41 and name  HB2) (resid   44 and name HD12)
    or (resid   41 and name  HB2) (resid   44 and name HD11)
    or (resid   41 and name  HB2) (resid   44 and name HD13)
    or (resid   41 and name  HB1) (resid   44 and name HD22)
    or (resid   41 and name  HB1) (resid   44 and name HD21)
    or (resid   41 and name  HB1) (resid   44 and name HD23)
    or (resid   41 and name  HB1) (resid   44 and name HD12)
    or (resid   41 and name  HB1) (resid   44 and name HD11)
    or (resid   41 and name  HB1) (resid   44 and name HD13)
    or (resid   41 and name  HB3) (resid   44 and name HD22)
    or (resid   41 and name  HB3) (resid   44 and name HD21)
    or (resid   41 and name  HB3) (resid   44 and name HD23)
    or (resid   41 and name  HB3) (resid   44 and name HD12)
    or (resid   41 and name  HB3) (resid   44 and name HD11)
    or (resid   41 and name  HB3) (resid   44 and name HD13)
assign (resid 44 and name HA) (resid 44 and name HD22) 2.054 0.527 2.027 weight 1.000 ! spec=HCH_al, no=1938, id=3658, vol=3.150000e+07
    or (resid   44 and name   HA) (resid   44 and name HD21)
    or (resid   44 and name   HA) (resid   44 and name HD23)
    or (resid   44 and name   HA) (resid   44 and name HD12)
    or (resid   44 and name   HA) (resid   44 and name HD11)
    or (resid   44 and name   HA) (resid   44 and name HD13)
assign (resid 44 and name HA) (resid 44 and name HB1) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=1939, id=3659, vol=1.130000e+07
assign (resid 44 and name HG) (resid 44 and name HA) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=1940, id=3660, vol=1.200000e+07
assign (resid 47 and name HG1) (resid 47 and name HN) 2.500 0.781 2.281 weight 1.000 ! spec=HCH_al, no=1955, id=3666, vol=9.690000e+06
assign (resid 47 and name HG2) (resid 49 and name HN) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=1956, id=3667, vol=1.070000e+06
assign (resid 48 and name HA) (resid 50 and name HG2) 3.313 1.372 2.872 weight 1.000 ! spec=HCH_al, no=1957, id=3668, vol=1.790000e+06
assign (resid 48 and name HB2) (resid 48 and name HE2) 2.659 0.884 2.384 weight 1.000 ! spec=HCH_al, no=1958, id=3669, vol=6.700000e+06
    or (resid   48 and name  HB2) (resid   48 and name  HE1)
assign (resid 48 and name HD2) (resid 37 and name HD22) 2.231 0.622 2.122 weight 1.000 ! spec=HCH_al, no=1959, id=3670, vol=1.920000e+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 101 and name HD2) (resid 101 and name HE2) 1.737 0.377 1.877 weight 1.000 ! spec=HCH_al, no=1960, id=3671, vol=8.610000e+07
    or (resid  101 and name  HD2) (resid  101 and name  HE1)
    or (resid  101 and name  HD1) (resid  101 and name  HE2)
    or (resid  101 and name  HD1) (resid  101 and name  HE1)
assign (resid 49 and name HB2) (resid 49 and name HA) 2.050 0.525 2.025 weight 1.000 ! spec=HCH_al, no=1962, id=3673, vol=3.190000e+07
    or (resid   49 and name  HB1) (resid   49 and name   HA)
assign (resid 52 and name HA2) (resid 37 and name HD22) 3.216 1.293 2.793 weight 1.000 ! spec=HCH_al, no=1964, id=3675, vol=2.140000e+06
    or (resid   52 and name  HA2) (resid   37 and name HD21)
    or (resid   52 and name  HA2) (resid   37 and name HD23)
    or (resid   52 and name  HA2) (resid   37 and name HD12)
    or (resid   52 and name  HA2) (resid   37 and name HD11)
    or (resid   52 and name  HA2) (resid   37 and name HD13)
assign (resid 52 and name HA1) (resid 37 and name HD22) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=1965, id=3676, vol=1.590000e+06
    or (resid   52 and name  HA1) (resid   37 and name HD21)
    or (resid   52 and name  HA1) (resid   37 and name HD23)
    or (resid   52 and name  HA1) (resid   37 and name HD12)
    or (resid   52 and name  HA1) (resid   37 and name HD11)
    or (resid   52 and name  HA1) (resid   37 and name HD13)
assign (resid 53 and name HN) (resid 53 and name HA) 2.768 0.958 2.458 weight 1.000 ! spec=HCH_al, no=1968, id=3678, vol=5.260000e+06
assign (resid 54 and name HN) (resid 55 and name HA) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=1969, id=3679, vol=1.110000e+06
assign (resid 54 and name HN) (resid 55 and name HB) 3.443 1.482 2.982 weight 1.000 ! spec=HCH_al, no=1970, id=3680, vol=1.420000e+06
assign (resid 55 and name HG22) (resid 37 and name HD22) 1.908 0.455 1.955 weight 1.000 ! spec=HCH_al, no=1971, id=3681, vol=4.910000e+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 HB) (resid 55 and name HG22) 1.966 0.483 1.983 weight 1.000 ! spec=HCH_al, no=1974, id=3684, vol=4.100000e+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) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=1975, id=3685, vol=3.360000e+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) 2.176 0.592 2.092 weight 1.000 ! spec=HCH_al, no=1977, id=3687, vol=2.230000e+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 HE1) 2.711 0.919 2.419 weight 1.000 ! spec=HCH_al, no=1979, id=3689, vol=5.960000e+06
    or (resid   55 and name HG22) (resid   59 and name  HE2)
    or (resid   55 and name HG21) (resid   59 and name  HE1)
    or (resid   55 and name HG21) (resid   59 and name  HE2)
    or (resid   55 and name HG23) (resid   59 and name  HE1)
    or (resid   55 and name HG23) (resid   59 and name  HE2)
assign (resid 55 and name HG22) (resid 33 and name HE1) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=1980, id=3690, vol=1.280000e+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) 2.221 0.617 2.117 weight 1.000 ! spec=HCH_al, no=1981, id=3691, vol=1.970000e+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) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=1983, id=3693, vol=1.170000e+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) 2.804 0.983 2.483 weight 1.000 ! spec=HCH_al, no=1984, id=3694, vol=4.870000e+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 HG22) (resid 55 and name HG11) 2.495 0.778 2.278 weight 1.000 ! spec=HCH_al, no=1987, id=3695, vol=9.820000e+06
    or (resid   55 and name HG21) (resid   55 and name HG11)
    or (resid   55 and name HG23) (resid   55 and name HG11)
assign (resid 55 and name HA) (resid 55 and name HG11) 2.864 1.025 2.525 weight 1.000 ! spec=HCH_al, no=1989, id=3697, vol=4.290000e+06
assign (resid 55 and name HN) (resid 55 and name HG11) 2.789 0.972 2.472 weight 1.000 ! spec=HCH_al, no=1990, id=3698, vol=5.030000e+06
assign (resid 59 and name HB2) (resid 56 and name HB2) 2.774 0.962 2.462 weight 1.000 ! spec=HCH_al, no=1993, id=3701, vol=5.190000e+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 HB1) (resid 56 and name HA) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_al, no=1994, id=3702, vol=3.210000e+06
assign (resid 56 and name HN) (resid 56 and name HB2) 1.852 0.429 1.929 weight 1.000 ! spec=HCH_al, no=1997, id=3705, vol=5.870000e+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 HG2) (resid 60 and name HG21) 3.322 1.380 2.88 weight 1.000 ! spec=HCH_al, no=1999, id=3707, vol=1.760000e+06
    or (resid   57 and name  HG2) (resid   60 and name HG22)
    or (resid   57 and name  HG2) (resid   60 and name HG23)
assign (resid 57 and name HG2) (resid 60 and name HB) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=2000, id=3708, vol=3.040000e+06
assign (resid 59 and name HA) (resid 56 and name HA) 3.706 1.717 3.217 weight 1.000 ! spec=HCH_al, no=2002, id=3710, vol=9.130000e+05
assign (resid 60 and name HA) (resid 60 and name HG21) 2.092 0.547 2.047 weight 1.000 ! spec=HCH_al, no=2008, id=3716, vol=2.820000e+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 60 and name HG21) (resid 57 and name HA) 2.483 0.771 2.271 weight 1.000 ! spec=HCH_al, no=2009, id=3717, vol=1.010000e+07
    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 HB) (resid 60 and name HG21) 1.934 0.467 1.967 weight 1.000 ! spec=HCH_al, no=2010, id=3718, vol=4.530000e+07
    or (resid   60 and name   HB) (resid   60 and name HG22)
    or (resid   60 and name   HB) (resid   60 and name HG23)
assign (resid 57 and name HE22) (resid 60 and name HG21) 2.433 0.740 2.24 weight 1.000 ! spec=HCH_al, no=2012, id=3720, vol=1.140000e+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 64 and name HN) (resid 60 and name HG21) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_al, no=2016, id=3724, vol=4.000000e+06
    or (resid   64 and name   HN) (resid   60 and name HG22)
    or (resid   64 and name   HN) (resid   60 and name HG23)
assign (resid 57 and name HE21) (resid 60 and name HG21) 2.516 0.792 2.292 weight 1.000 ! spec=HCH_al, no=2018, id=3726, vol=9.320000e+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 61 and name HN) (resid 60 and name HG21) 2.384 0.710 2.21 weight 1.000 ! spec=HCH_al, no=2020, id=3728, vol=1.290000e+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 HB1) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=2022, id=3729, vol=1.760000e+07
    or (resid   62 and name HD11) (resid   62 and name  HB1)
    or (resid   62 and name HD13) (resid   62 and name  HB1)
assign (resid 62 and name HD12) (resid 62 and name HG) 2.092 0.547 2.047 weight 1.000 ! spec=HCH_al, no=2023, id=3730, vol=2.820000e+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) 2.151 0.578 2.078 weight 1.000 ! spec=HCH_al, no=2026, id=3732, vol=2.390000e+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 20 and name HB2) (resid 62 and name HD12) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2027, id=3733, vol=1.370000e+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 62 and name HA) (resid 62 and name HD12) 2.079 0.540 2.04 weight 1.000 ! spec=HCH_al, no=2028, id=3734, vol=2.930000e+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 62 and name HD12) (resid 68 and name HB2) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=2029, id=3735, vol=5.640000e+06
    or (resid   62 and name HD11) (resid   68 and name  HB2)
    or (resid   62 and name HD13) (resid   68 and name  HB2)
assign (resid 17 and name HA) (resid 62 and name HD12) 2.765 0.955 2.455 weight 1.000 ! spec=HCH_al, no=2030, id=3736, vol=5.300000e+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 33 and name HD1) 2.724 0.928 2.428 weight 1.000 ! spec=HCH_al, no=2033, id=3739, vol=5.790000e+06
    or (resid   62 and name HD12) (resid   33 and name  HD2)
    or (resid   62 and name HD11) (resid   33 and name  HD1)
    or (resid   62 and name HD11) (resid   33 and name  HD2)
    or (resid   62 and name HD13) (resid   33 and name  HD1)
    or (resid   62 and name HD13) (resid   33 and name  HD2)
assign (resid 62 and name HD12) (resid 68 and name HE1) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=2034, id=3740, vol=1.150000e+07
    or (resid   62 and name HD12) (resid   68 and name  HE2)
    or (resid   62 and name HD11) (resid   68 and name  HE1)
    or (resid   62 and name HD11) (resid   68 and name  HE2)
    or (resid   62 and name HD13) (resid   68 and name  HE1)
    or (resid   62 and name HD13) (resid   68 and name  HE2)
assign (resid 62 and name HD12) (resid 68 and name HD1) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=2035, id=3741, vol=1.090000e+07
    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 76 and name HE3) 2.749 0.945 2.445 weight 1.000 ! spec=HCH_al, no=2036, id=3742, vol=5.480000e+06
    or (resid   62 and name HD11) (resid   76 and name  HE3)
    or (resid   62 and name HD13) (resid   76 and name  HE3)
assign (resid 62 and name HD12) (resid 68 and name HZ) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=2037, id=3743, vol=5.860000e+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 HD22) (resid 62 and name HG) 2.221 0.617 2.117 weight 1.000 ! spec=HCH_al, no=2040, id=3745, vol=1.970000e+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 62 and name HD22) (resid 17 and name HG22) 2.589 0.838 2.338 weight 1.000 ! spec=HCH_al, no=2042, id=3747, vol=7.860000e+06
    or (resid   62 and name HD22) (resid   17 and name HG21)
    or (resid   62 and name HD22) (resid   17 and name HG23)
    or (resid   62 and name HD22) (resid   17 and name HG12)
    or (resid   62 and name HD22) (resid   17 and name HG11)
    or (resid   62 and name HD22) (resid   17 and name HG13)
    or (resid   62 and name HD21) (resid   17 and name HG22)
    or (resid   62 and name HD21) (resid   17 and name HG21)
    or (resid   62 and name HD21) (resid   17 and name HG23)
    or (resid   62 and name HD21) (resid   17 and name HG12)
    or (resid   62 and name HD21) (resid   17 and name HG11)
    or (resid   62 and name HD21) (resid   17 and name HG13)
    or (resid   62 and name HD23) (resid   17 and name HG22)
    or (resid   62 and name HD23) (resid   17 and name HG21)
    or (resid   62 and name HD23) (resid   17 and name HG23)
    or (resid   62 and name HD23) (resid   17 and name HG12)
    or (resid   62 and name HD23) (resid   17 and name HG11)
    or (resid   62 and name HD23) (resid   17 and name HG13)
assign (resid 20 and name HB2) (resid 62 and name HD22) 2.546 0.811 2.311 weight 1.000 ! spec=HCH_al, no=2043, id=3748, vol=8.680000e+06
    or (resid   20 and name  HB2) (resid   62 and name HD21)
    or (resid   20 and name  HB2) (resid   62 and name HD23)
    or (resid   20 and name  HB1) (resid   62 and name HD22)
    or (resid   20 and name  HB1) (resid   62 and name HD21)
    or (resid   20 and name  HB1) (resid   62 and name HD23)
    or (resid   20 and name  HB3) (resid   62 and name HD22)
    or (resid   20 and name  HB3) (resid   62 and name HD21)
    or (resid   20 and name  HB3) (resid   62 and name HD23)
assign (resid 62 and name HA) (resid 62 and name HD22) 2.475 0.766 2.266 weight 1.000 ! spec=HCH_al, no=2044, id=3749, vol=1.030000e+07
    or (resid   62 and name   HA) (resid   62 and name HD21)
    or (resid   62 and name   HA) (resid   62 and name HD23)
assign (resid 59 and name HA) (resid 62 and name HD22) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2045, id=3750, vol=1.350000e+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 17 and name HA) (resid 62 and name HD22) 3.242 1.313 2.813 weight 1.000 ! spec=HCH_al, no=2046, id=3751, vol=2.040000e+06
    or (resid   17 and name   HA) (resid   62 and name HD21)
    or (resid   17 and name   HA) (resid   62 and name HD23)
assign (resid 62 and name HD22) (resid 33 and name HE1) 2.255 0.636 2.136 weight 1.000 ! spec=HCH_al, no=2049, id=3753, vol=1.800000e+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) 2.375 0.705 2.205 weight 1.000 ! spec=HCH_al, no=2050, id=3754, vol=1.320000e+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 HN) (resid 62 and name HD22) 2.616 0.856 2.356 weight 1.000 ! spec=HCH_al, no=2056, id=3760, vol=7.380000e+06
    or (resid   62 and name   HN) (resid   62 and name HD21)
    or (resid   62 and name   HN) (resid   62 and name HD23)
assign (resid 64 and name HB) (resid 64 and name HG22) 1.813 0.411 1.911 weight 1.000 ! spec=HCH_al, no=2057, id=3761, vol=6.670000e+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) 2.691 0.905 2.405 weight 1.000 ! spec=HCH_al, no=2058, id=3762, vol=6.230000e+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 63 and name HB2) 2.747 0.943 2.443 weight 1.000 ! spec=HCH_al, no=2059, id=3763, vol=5.510000e+06
    or (resid   64 and name HG21) (resid   63 and name  HB2)
    or (resid   64 and name HG23) (resid   63 and name  HB2)
assign (resid 64 and name HA) (resid 64 and name HG22) 1.922 0.462 1.962 weight 1.000 ! spec=HCH_al, no=2060, id=3764, vol=4.690000e+07
    or (resid   64 and name   HA) (resid   64 and name HG21)
    or (resid   64 and name   HA) (resid   64 and name HG23)
assign (resid 64 and name HN) (resid 64 and name HG22) 2.263 0.640 2.14 weight 1.000 ! spec=HCH_al, no=2061, id=3765, vol=1.760000e+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 64 and name HN) (resid 64 and name HG11) 2.585 0.835 2.335 weight 1.000 ! spec=HCH_al, no=2064, id=3768, vol=7.940000e+06
assign (resid 64 and name HG11) (resid 65 and name HN) 3.097 1.199 2.699 weight 1.000 ! spec=HCH_al, no=2065, id=3769, vol=2.680000e+06
assign (resid 69 and name HB2) (resid 69 and name HD22) 2.157 0.582 2.082 weight 1.000 ! spec=HCH_al, no=2068, id=3772, vol=2.350000e+07
    or (resid   69 and name  HB2) (resid   69 and name HD21)
    or (resid   69 and name  HB2) (resid   69 and name HD23)
assign (resid 82 and name HB2) (resid 69 and name HD22) 2.770 0.959 2.459 weight 1.000 ! spec=HCH_al, no=2070, id=3774, vol=5.240000e+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 79 and name HA) (resid 69 and name HD22) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2071, id=3775, vol=1.130000e+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 82 and name HE1) 2.519 0.793 2.293 weight 1.000 ! spec=HCH_al, no=2072, id=3776, vol=9.270000e+06
    or (resid   69 and name HD22) (resid   82 and name  HE2)
    or (resid   69 and name HD21) (resid   82 and name  HE1)
    or (resid   69 and name HD21) (resid   82 and name  HE2)
    or (resid   69 and name HD23) (resid   82 and name  HE1)
    or (resid   69 and name HD23) (resid   82 and name  HE2)
assign (resid 79 and name HN) (resid 69 and name HD22) 2.690 0.904 2.404 weight 1.000 ! spec=HCH_al, no=2074, id=3778, vol=6.250000e+06
    or (resid   79 and name   HN) (resid   69 and name HD21)
    or (resid   79 and name   HN) (resid   69 and name HD23)
assign (resid 70 and name HA) (resid 71 and name HD22) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=2077, id=3781, vol=1.640000e+06
    or (resid   70 and name   HA) (resid   71 and name HD21)
    or (resid   70 and name   HA) (resid   71 and name HD23)
assign (resid 70 and name HB2) (resid 73 and name HA) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=2081, id=3785, vol=2.660000e+06
    or (resid   70 and name  HB1) (resid   73 and name   HA)
    or (resid   70 and name  HB3) (resid   73 and name   HA)
assign (resid 69 and name HN) (resid 70 and name HB2) 3.379 1.427 2.927 weight 1.000 ! spec=HCH_al, no=2082, id=3786, vol=1.590000e+06
    or (resid   69 and name   HN) (resid   70 and name  HB1)
    or (resid   69 and name   HN) (resid   70 and name  HB3)
assign (resid 79 and name HG1) (resid 79 and name HD2) 2.811 0.988 2.488 weight 1.000 ! spec=HCH_al, no=2083, id=3787, vol=4.800000e+06
assign (resid 3 and name HN) (resid 3 and name HG11) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=2084, id=3788, vol=1.950000e+06
assign (resid 71 and name HD12) (resid 71 and name HG) 2.021 0.511 2.011 weight 1.000 ! spec=HCH_al, no=2085, id=3789, vol=3.470000e+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) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=2086, id=3790, vol=1.820000e+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 HG2) (resid 71 and name HD12) 2.125 0.564 2.064 weight 1.000 ! spec=HCH_al, no=2087, id=3791, vol=2.570000e+07
    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 HB2) (resid 71 and name HD12) 2.183 0.595 2.095 weight 1.000 ! spec=HCH_al, no=2088, id=3792, vol=2.190000e+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) 2.720 0.925 2.425 weight 1.000 ! spec=HCH_al, no=2089, id=3793, vol=5.840000e+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 71 and name HD12) (resid 75 and name HA) 2.882 1.038 2.538 weight 1.000 ! spec=HCH_al, no=2090, id=3794, vol=4.130000e+06
    or (resid   71 and name HD11) (resid   75 and name   HA)
    or (resid   71 and name HD13) (resid   75 and name   HA)
assign (resid 30 and name HA) (resid 71 and name HD12) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=2091, id=3795, vol=6.350000e+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 75 and name HN) (resid 71 and name HD12) 2.783 0.968 2.468 weight 1.000 ! spec=HCH_al, no=2093, id=3797, vol=5.090000e+06
    or (resid   75 and name   HN) (resid   71 and name HD11)
    or (resid   75 and name   HN) (resid   71 and name HD13)
assign (resid 71 and name HD12) (resid 77 and name HN) 2.531 0.801 2.301 weight 1.000 ! spec=HCH_al, no=2095, id=3799, vol=9.000000e+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 HD22) (resid 71 and name HD12) 1.585 0.314 1.814 weight 1.000 ! spec=HCH_al, no=2096, id=3800, vol=1.490000e+08
    or (resid   71 and name HD22) (resid   71 and name HD11)
    or (resid   71 and name HD22) (resid   71 and name HD13)
    or (resid   71 and name HD21) (resid   71 and name HD12)
    or (resid   71 and name HD21) (resid   71 and name HD11)
    or (resid   71 and name HD21) (resid   71 and name HD13)
    or (resid   71 and name HD23) (resid   71 and name HD12)
    or (resid   71 and name HD23) (resid   71 and name HD11)
    or (resid   71 and name HD23) (resid   71 and name HD13)
assign (resid 71 and name HD22) (resid 69 and name HG) 2.165 0.586 2.086 weight 1.000 ! spec=HCH_al, no=2097, id=3801, vol=2.300000e+07
    or (resid   71 and name HD21) (resid   69 and name   HG)
    or (resid   71 and name HD23) (resid   69 and name   HG)
assign (resid 71 and name HG) (resid 71 and name HD22) 1.948 0.474 1.974 weight 1.000 ! spec=HCH_al, no=2098, id=3802, vol=4.330000e+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 30 and name HG1) (resid 71 and name HD22) 2.551 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2099, id=3803, vol=8.580000e+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 30 and name HB2) (resid 71 and name HD22) 2.587 0.837 2.337 weight 1.000 ! spec=HCH_al, no=2100, id=3804, vol=7.890000e+06
    or (resid   30 and name  HB2) (resid   71 and name HD21)
    or (resid   30 and name  HB2) (resid   71 and name HD23)
assign (resid 71 and name HA) (resid 71 and name HD22) 2.108 0.555 2.055 weight 1.000 ! spec=HCH_al, no=2101, id=3805, vol=2.700000e+07
    or (resid   71 and name   HA) (resid   71 and name HD21)
    or (resid   71 and name   HA) (resid   71 and name HD23)
assign (resid 71 and name HD22) (resid 81 and name HZ3) 2.528 0.799 2.299 weight 1.000 ! spec=HCH_al, no=2102, id=3806, vol=9.070000e+06
    or (resid   71 and name HD21) (resid   81 and name  HZ3)
    or (resid   71 and name HD23) (resid   81 and name  HZ3)
assign (resid 71 and name HN) (resid 71 and name HD22) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2105, id=3809, vol=8.570000e+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 71 and name HD22) (resid 77 and name HN) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=2106, id=3810, vol=4.360000e+06
    or (resid   71 and name HD21) (resid   77 and name   HN)
    or (resid   71 and name HD23) (resid   77 and name   HN)
assign (resid 81 and name HN) (resid 80 and name HA) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2107, id=3811, vol=5.180000e+06
assign (resid 74 and name HN) (resid 73 and name HB2) 3.362 1.413 2.913 weight 1.000 ! spec=HCH_al, no=2109, id=3813, vol=1.640000e+06
assign (resid 75 and name HA) (resid 75 and name HB) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_al, no=2110, id=3814, vol=5.040000e+06
assign (resid 33 and name HN) (resid 75 and name HG21) 2.776 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2111, id=3815, vol=5.170000e+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) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=2112, id=3816, vol=1.310000e+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) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2113, id=3817, vol=1.130000e+07
    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 HA) (resid 75 and name HG21) 2.288 0.654 2.154 weight 1.000 ! spec=HCH_al, no=2115, id=3819, vol=1.650000e+07
    or (resid   75 and name   HA) (resid   75 and name HG22)
    or (resid   75 and name   HA) (resid   75 and name HG23)
assign (resid 76 and name HA) (resid 69 and name HB1) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=2117, id=3821, vol=1.410000e+06
assign (resid 78 and name HG) (resid 81 and name HZ2) 3.604 1.624 3.124 weight 1.000 ! spec=HCH_al, no=2121, id=3824, vol=1.080000e+06
assign (resid 78 and name HD12) (resid 78 and name HB1) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2122, id=3825, vol=1.370000e+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) 1.983 0.492 1.992 weight 1.000 ! spec=HCH_al, no=2123, id=3826, vol=3.890000e+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) 1.982 0.491 1.991 weight 1.000 ! spec=HCH_al, no=2124, id=3827, vol=3.910000e+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) 2.907 1.057 2.557 weight 1.000 ! spec=HCH_al, no=2127, id=3830, vol=3.920000e+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 24 and name HN) (resid 78 and name HD12) 2.819 0.993 2.493 weight 1.000 ! spec=HCH_al, no=2129, id=3832, vol=4.720000e+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 78 and name HD12) (resid 81 and name HE1) 2.332 0.680 2.18 weight 1.000 ! spec=HCH_al, no=2130, id=3833, vol=1.470000e+07
    or (resid   78 and name HD11) (resid   81 and name  HE1)
    or (resid   78 and name HD13) (resid   81 and name  HE1)
assign (resid 78 and name HG) (resid 78 and name HD22) 2.219 0.616 2.116 weight 1.000 ! spec=HCH_al, no=2131, id=3834, vol=1.980000e+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 69 and name HN) (resid 78 and name HD22) 2.773 0.962 2.462 weight 1.000 ! spec=HCH_al, no=2133, id=3836, vol=5.200000e+06
    or (resid   69 and name   HN) (resid   78 and name HD21)
    or (resid   69 and name   HN) (resid   78 and name HD23)
assign (resid 79 and name HB1) (resid 79 and name HD2) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=2136, id=3839, vol=2.990000e+06
assign (resid 79 and name HB1) (resid 79 and name HD1) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=2138, id=3841, vol=3.040000e+06
assign (resid 79 and name HB2) (resid 79 and name HD1) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=2139, id=3842, vol=2.660000e+06
assign (resid 79 and name HN) (resid 79 and name HG1) 2.960 1.095 2.595 weight 1.000 ! spec=HCH_al, no=2142, id=3845, vol=3.520000e+06
assign (resid 79 and name HG2) (resid 79 and name HN) 4.702 2.764 4.264 weight 1.000 ! spec=HCH_al, no=2143, id=3846, vol=2.190000e+05
assign (resid 42 and name HN) (resid 42 and name HB2) 2.059 0.530 2.03 weight 1.000 ! spec=HCH_al, no=2146, id=3849, vol=3.110000e+07
    or (resid   42 and name   HN) (resid   42 and name  HB1)
assign (resid 82 and name HB1) (resid 82 and name HA) 2.729 0.931 2.431 weight 1.000 ! spec=HCH_al, no=2150, id=3852, vol=5.730000e+06
assign (resid 82 and name HB1) (resid 84 and name HE1) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=2151, id=3853, vol=1.890000e+06
    or (resid   82 and name  HB1) (resid   84 and name  HE2)
assign (resid 149 and name HA) (resid 56 and name HA) 3.710 1.720 3.22 weight 1.000 ! spec=HCH_al, no=2158, id=3857, vol=9.080000e+05
assign (resid 149 and name HA) (resid 57 and name HA) 3.503 1.534 3.034 weight 1.000 ! spec=HCH_al, no=2159, id=3858, vol=1.280000e+06
assign (resid 86 and name HE21) (resid 86 and name HG1) 2.616 0.855 2.355 weight 1.000 ! spec=HCH_al, no=2167, id=3866, vol=7.390000e+06
assign (resid 86 and name HB1) (resid 87 and name HN) 3.286 1.350 2.85 weight 1.000 ! spec=HCH_al, no=2173, id=3871, vol=1.880000e+06
assign (resid 7 and name HB1) (resid 7 and name HA) 2.325 0.675 2.175 weight 1.000 ! spec=HCH_al, no=2178, id=3874, vol=1.500000e+07
assign (resid 14 and name HB2) (resid 11 and name HA) 2.648 0.877 2.377 weight 1.000 ! spec=HCH_al, no=2179, id=3875, vol=6.860000e+06
    or (resid   14 and name  HB1) (resid   11 and name   HA)
assign (resid 80 and name HB1) (resid 81 and name HN) 3.645 1.660 3.16 weight 1.000 ! spec=HCH_al, no=2181, id=3877, vol=1.010000e+06
assign (resid 31 and name HG12) (resid 31 and name HB) 1.964 0.482 1.982 weight 1.000 ! spec=HCH_al, no=2194, id=3878, vol=4.130000e+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 36 and name HN) 2.554 0.816 2.316 weight 1.000 ! spec=HCH_al, no=2199, id=3883, vol=8.520000e+06
    or (resid   31 and name HG11) (resid   36 and name   HN)
    or (resid   31 and name HG13) (resid   36 and name   HN)
assign (resid 31 and name HG22) (resid 31 and name HB) 1.976 0.488 1.988 weight 1.000 ! spec=HCH_al, no=2202, id=3886, vol=3.980000e+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) 2.423 0.734 2.234 weight 1.000 ! spec=HCH_al, no=2203, id=3887, vol=1.170000e+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) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=2204, id=3888, vol=8.850000e+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 31 and name HG22) (resid 36 and name HA) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2209, id=3893, vol=1.350000e+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 31 and name HA) (resid 31 and name HG22) 2.274 0.647 2.147 weight 1.000 ! spec=HCH_al, no=2211, id=3895, vol=1.710000e+07
    or (resid   31 and name   HA) (resid   31 and name HG21)
    or (resid   31 and name   HA) (resid   31 and name HG23)
assign (resid 30 and name HA) (resid 31 and name HG22) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2212, id=3896, vol=8.560000e+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 HN) (resid 31 and name HG22) 2.176 0.592 2.092 weight 1.000 ! spec=HCH_al, no=2219, id=3903, vol=2.230000e+07
    or (resid   31 and name   HN) (resid   31 and name HG21)
    or (resid   31 and name   HN) (resid   31 and name HG23)
assign (resid 46 and name HG12) (resid 46 and name HG22) 1.668 0.348 1.848 weight 1.000 ! spec=HCH_al, no=2220, id=3904, vol=1.100000e+08
    or (resid   46 and name HG12) (resid   46 and name HG21)
    or (resid   46 and name HG12) (resid   46 and name HG23)
    or (resid   46 and name HG11) (resid   46 and name HG22)
    or (resid   46 and name HG11) (resid   46 and name HG21)
    or (resid   46 and name HG11) (resid   46 and name HG23)
    or (resid   46 and name HG13) (resid   46 and name HG22)
    or (resid   46 and name HG13) (resid   46 and name HG21)
    or (resid   46 and name HG13) (resid   46 and name HG23)
assign (resid 46 and name HG12) (resid 44 and name HB1) 2.332 0.680 2.18 weight 1.000 ! spec=HCH_al, no=2222, id=3905, vol=1.470000e+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) 2.378 0.707 2.207 weight 1.000 ! spec=HCH_al, no=2223, id=3906, vol=1.310000e+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) 1.882 0.443 1.943 weight 1.000 ! spec=HCH_al, no=2224, id=3907, vol=5.320000e+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 HA) (resid 46 and name HG12) 1.996 0.498 1.998 weight 1.000 ! spec=HCH_al, no=2228, id=3911, vol=3.740000e+07
    or (resid   46 and name   HA) (resid   46 and name HG11)
    or (resid   46 and name   HA) (resid   46 and name HG13)
assign (resid 46 and name HN) (resid 46 and name HG12) 2.231 0.622 2.122 weight 1.000 ! spec=HCH_al, no=2229, id=3912, vol=1.920000e+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 46 and name HG22) (resid 44 and name HB1) 2.208 0.610 2.11 weight 1.000 ! spec=HCH_al, no=2232, id=3915, vol=2.040000e+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 40 and name HG12) (resid 40 and name HG22) 2.001 0.500 2 weight 1.000 ! spec=HCH_al, no=2233, id=3916, vol=3.690000e+07
    or (resid   40 and name HG12) (resid   40 and name HG21)
    or (resid   40 and name HG12) (resid   40 and name HG23)
assign (resid 46 and name HA) (resid 46 and name HG22) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2234, id=3917, vol=1.450000e+07
    or (resid   46 and name   HA) (resid   46 and name HG21)
    or (resid   46 and name   HA) (resid   46 and name HG23)
assign (resid 22 and name HG2) (resid 3 and name HD12) 2.834 1.004 2.504 weight 1.000 ! spec=HCH_al, no=2235, id=3918, vol=4.570000e+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 22 and name HA) (resid 3 and name HD12) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=2236, id=3919, vol=2.150000e+06
    or (resid   22 and name   HA) (resid    3 and name HD11)
    or (resid   22 and name   HA) (resid    3 and name HD13)
assign (resid 19 and name HG22) (resid 40 and name HD12) 2.128 0.566 2.066 weight 1.000 ! spec=HCH_al, no=2239, id=3921, vol=2.550000e+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 75 and name HG21) (resid 71 and name HD12) 2.160 0.583 2.083 weight 1.000 ! spec=HCH_al, no=2242, id=3924, vol=2.330000e+07
    or (resid   75 and name HG21) (resid   71 and name HD11)
    or (resid   75 and name HG21) (resid   71 and name HD13)
    or (resid   75 and name HG22) (resid   71 and name HD12)
    or (resid   75 and name HG22) (resid   71 and name HD11)
    or (resid   75 and name HG22) (resid   71 and name HD13)
    or (resid   75 and name HG23) (resid   71 and name HD12)
    or (resid   75 and name HG23) (resid   71 and name HD11)
    or (resid   75 and name HG23) (resid   71 and name HD13)
assign (resid 11 and name HD12) (resid 44 and name HA) 2.243 0.629 2.129 weight 1.000 ! spec=HCH_al, no=2246, id=3927, vol=1.860000e+07
    or (resid   11 and name HD11) (resid   44 and name   HA)
    or (resid   11 and name HD13) (resid   44 and name   HA)
assign (resid 69 and name HD12) (resid 69 and name HD22) 1.760 0.387 1.887 weight 1.000 ! spec=HCH_al, no=2248, id=3929, vol=7.950000e+07
    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) 2.762 0.954 2.454 weight 1.000 ! spec=HCH_al, no=2250, id=3931, vol=5.330000e+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) 3.117 1.215 2.715 weight 1.000 ! spec=HCH_al, no=2251, id=3932, vol=2.580000e+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 62 and name HD22) (resid 33 and name HB2) 3.201 1.281 2.781 weight 1.000 ! spec=HCH_al, no=2253, id=3934, vol=2.200000e+06
    or (resid   62 and name HD21) (resid   33 and name  HB2)
    or (resid   62 and name HD23) (resid   33 and name  HB2)
assign (resid 69 and name HD22) (resid 79 and name HD2) 2.920 1.066 2.566 weight 1.000 ! spec=HCH_al, no=2262, id=3935, vol=3.820000e+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 21 and name HN) (resid 18 and name HA) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_al, no=2265, id=3938, vol=2.770000e+06
assign (resid 2 and name HA1) (resid 5 and name HG2) 3.014 1.135 2.635 weight 1.000 ! spec=HCH_al, no=2272, id=3942, vol=3.160000e+06
assign (resid 2 and name HA1) (resid 5 and name HG1) 2.891 1.045 2.545 weight 1.000 ! spec=HCH_al, no=2274, id=3944, vol=4.050000e+06
assign (resid 2 and name HA1) (resid 3 and name HG22) 2.862 1.024 2.524 weight 1.000 ! spec=HCH_al, no=2277, id=3947, vol=4.310000e+06
    or (resid    2 and name  HA1) (resid    3 and name HG21)
    or (resid    2 and name  HA1) (resid    3 and name HG23)
assign (resid 3 and name HN) (resid 3 and name HA) 2.790 0.973 2.473 weight 1.000 ! spec=HCH_al, no=2278, id=3948, vol=5.020000e+06
assign (resid 173 and name HN) (resid 172 and name HA) 2.225 0.619 2.119 weight 1.000 ! spec=HCH_al, no=2279, id=3949, vol=1.950000e+07
assign (resid 3 and name HA) (resid 5 and name HN) 2.905 1.055 2.555 weight 1.000 ! spec=HCH_al, no=2280, id=3950, vol=3.940000e+06
assign (resid 3 and name HA) (resid 19 and name HG22) 2.887 1.042 2.542 weight 1.000 ! spec=HCH_al, no=2282, id=3952, vol=4.090000e+06
    or (resid    3 and name   HA) (resid   19 and name HG21)
    or (resid    3 and name   HA) (resid   19 and name HG23)
assign (resid 118 and name HN) (resid 118 and name HB) 2.231 0.622 2.122 weight 1.000 ! spec=HCH_al, no=2286, id=3956, vol=1.920000e+07
assign (resid 72 and name HN) (resid 71 and name HG) 3.283 1.347 2.847 weight 1.000 ! spec=HCH_al, no=2291, id=3961, vol=1.890000e+06
assign (resid 3 and name HD12) (resid 4 and name HN) 2.829 1.000 2.5 weight 1.000 ! spec=HCH_al, no=2295, id=3965, vol=4.620000e+06
    or (resid    3 and name HD11) (resid    4 and name   HN)
    or (resid    3 and name HD13) (resid    4 and name   HN)
assign (resid 3 and name HD12) (resid 22 and name HG1) 2.251 0.633 2.133 weight 1.000 ! spec=HCH_al, no=2305, id=3975, vol=1.820000e+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 22 and name HB2) (resid 3 and name HD12) 2.028 0.514 2.014 weight 1.000 ! spec=HCH_al, no=2307, id=3977, vol=3.400000e+07
    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 3 and name HG12) (resid 3 and name HD12) 1.906 0.454 1.954 weight 1.000 ! spec=HCH_al, no=2308, id=3978, vol=4.940000e+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 3 and name HG11) (resid 3 and name HD12) 1.958 0.479 1.979 weight 1.000 ! spec=HCH_al, no=2309, id=3979, vol=4.200000e+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 48 and name HB1) (resid 49 and name HN) 2.816 0.991 2.491 weight 1.000 ! spec=HCH_al, no=2311, id=3980, vol=4.750000e+06
assign (resid 4 and name HG1) (resid 4 and name HE2) 2.817 0.992 2.492 weight 1.000 ! spec=HCH_al, no=2313, id=3982, vol=4.740000e+06
    or (resid    4 and name  HG1) (resid    4 and name  HE1)
assign (resid 12 and name HE2) (resid 44 and name HD22) 2.740 0.939 2.439 weight 1.000 ! spec=HCH_al, no=2316, id=3985, vol=5.590000e+06
    or (resid   12 and name  HE2) (resid   44 and name HD21)
    or (resid   12 and name  HE2) (resid   44 and name HD23)
    or (resid   12 and name  HE2) (resid   44 and name HD12)
    or (resid   12 and name  HE2) (resid   44 and name HD11)
    or (resid   12 and name  HE2) (resid   44 and name HD13)
    or (resid   12 and name  HE1) (resid   44 and name HD22)
    or (resid   12 and name  HE1) (resid   44 and name HD21)
    or (resid   12 and name  HE1) (resid   44 and name HD23)
    or (resid   12 and name  HE1) (resid   44 and name HD12)
    or (resid   12 and name  HE1) (resid   44 and name HD11)
    or (resid   12 and name  HE1) (resid   44 and name HD13)
assign (resid 28 and name HG2) (resid 28 and name HE2) 2.108 0.555 2.055 weight 1.000 ! spec=HCH_al, no=2318, id=3987, vol=2.700000e+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 12 and name HB2) (resid 12 and name HE2) 2.281 0.650 2.15 weight 1.000 ! spec=HCH_al, no=2321, id=3990, vol=1.680000e+07
    or (resid   12 and name  HB2) (resid   12 and name  HE1)
assign (resid 47 and name HE2) (resid 49 and name HB2) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2322, id=3991, vol=1.380000e+07
    or (resid   47 and name  HE2) (resid   49 and name  HB1)
    or (resid   47 and name  HE1) (resid   49 and name  HB2)
    or (resid   47 and name  HE1) (resid   49 and name  HB1)
assign (resid 15 and name HB2) (resid 18 and name HB1) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=2326, id=3994, vol=1.190000e+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 5 and name HB2) (resid 5 and name HE22) 3.196 1.277 2.777 weight 1.000 ! spec=HCH_al, no=2327, id=3995, vol=2.220000e+06
    or (resid    5 and name  HB1) (resid    5 and name HE22)
assign (resid 23 and name HN) (resid 22 and name HB2) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=2328, id=3996, vol=8.390000e+06
    or (resid   23 and name   HN) (resid   22 and name  HB1)
assign (resid 8 and name HN) (resid 8 and name HB2) 2.491 0.776 2.276 weight 1.000 ! spec=HCH_al, no=2329, id=3997, vol=9.910000e+06
assign (resid 5 and name HG2) (resid 6 and name HA) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=2331, id=3999, vol=2.990000e+06
assign (resid 29 and name HB2) (resid 29 and name HA) 2.743 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2332, id=4000, vol=5.560000e+06
assign (resid 33 and name HB1) (resid 34 and name HN) 2.966 1.099 2.599 weight 1.000 ! spec=HCH_al, no=2335, id=4003, vol=3.480000e+06
assign (resid 33 and name HN) (resid 33 and name HB1) 2.922 1.068 2.568 weight 1.000 ! spec=HCH_al, no=2336, id=4004, vol=3.800000e+06
assign (resid 115 and name HN) (resid 115 and name HB1) 2.212 0.612 2.112 weight 1.000 ! spec=HCH_al, no=2340, id=4008, vol=2.020000e+07
assign (resid 139 and name HN) (resid 139 and name HB1) 2.381 0.708 2.208 weight 1.000 ! spec=HCH_al, no=2341, id=4009, vol=1.300000e+07
assign (resid 6 and name HN) (resid 6 and name HB2) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=2342, id=4010, vol=7.990000e+06
assign (resid 115 and name HB1) (resid 115 and name HA) 2.335 0.682 2.182 weight 1.000 ! spec=HCH_al, no=2346, id=4014, vol=1.460000e+07
assign (resid 115 and name HA) (resid 115 and name HB2) 2.188 0.598 2.098 weight 1.000 ! spec=HCH_al, no=2348, id=4016, vol=2.160000e+07
assign (resid 165 and name HA) (resid 166 and name HN) 1.884 0.444 1.944 weight 1.000 ! spec=HCH_al, no=2356, id=4022, vol=5.290000e+07
assign (resid 8 and name HN) (resid 7 and name HB2) 2.668 0.890 2.39 weight 1.000 ! spec=HCH_al, no=2357, id=4023, vol=6.560000e+06
assign (resid 7 and name HN) (resid 7 and name HB2) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=2358, id=4024, vol=3.950000e+06
assign (resid 9 and name HN) (resid 7 and name HB2) 2.931 1.074 2.574 weight 1.000 ! spec=HCH_al, no=2359, id=4025, vol=3.730000e+06
assign (resid 7 and name HB2) (resid 7 and name HA) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2362, id=4027, vol=1.280000e+07
assign (resid 9 and name HA) (resid 9 and name HB2) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=2364, id=4028, vol=1.270000e+07
assign (resid 49 and name HA) (resid 49 and name HG1) 2.218 0.615 2.115 weight 1.000 ! spec=HCH_al, no=2365, id=4029, vol=1.990000e+07
assign (resid 39 and name HA) (resid 39 and name HG2) 2.561 0.820 2.32 weight 1.000 ! spec=HCH_al, no=2366, id=4030, vol=8.390000e+06
assign (resid 9 and name HA) (resid 10 and name HN) 2.517 0.792 2.292 weight 1.000 ! spec=HCH_al, no=2367, id=4031, vol=9.300000e+06
assign (resid 8 and name HA) (resid 12 and name HN) 2.931 1.074 2.574 weight 1.000 ! spec=HCH_al, no=2368, id=4032, vol=3.730000e+06
assign (resid 9 and name HN) (resid 9 and name HA) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2369, id=4033, vol=1.260000e+07
assign (resid 49 and name HN) (resid 49 and name HA) 2.403 0.722 2.222 weight 1.000 ! spec=HCH_al, no=2370, id=4034, vol=1.230000e+07
assign (resid 7 and name HN) (resid 10 and name HA) 3.431 1.472 2.972 weight 1.000 ! spec=HCH_al, no=2371, id=4035, vol=1.450000e+06
assign (resid 8 and name HA) (resid 44 and name HD22) 3.316 1.375 2.875 weight 1.000 ! spec=HCH_al, no=2375, id=4039, vol=1.780000e+06
    or (resid    8 and name   HA) (resid   44 and name HD21)
    or (resid    8 and name   HA) (resid   44 and name HD23)
    or (resid    8 and name   HA) (resid   44 and name HD12)
    or (resid    8 and name   HA) (resid   44 and name HD11)
    or (resid    8 and name   HA) (resid   44 and name HD13)
assign (resid 26 and name HB1) (resid 24 and name HN) 3.105 1.205 2.705 weight 1.000 ! spec=HCH_al, no=2387, id=4050, vol=2.640000e+06
assign (resid 57 and name HE22) (resid 57 and name HA) 3.266 1.333 2.833 weight 1.000 ! spec=HCH_al, no=2392, id=4055, vol=1.950000e+06
assign (resid 31 and name HG12) (resid 36 and name HB2) 2.883 1.039 2.539 weight 1.000 ! spec=HCH_al, no=2396, id=4059, vol=4.120000e+06
    or (resid   31 and name HG11) (resid   36 and name  HB2)
    or (resid   31 and name HG13) (resid   36 and name  HB2)
assign (resid 43 and name HB2) (resid 43 and name HB1) 2.056 0.529 2.029 weight 1.000 ! spec=HCH_al, no=2399, id=4062, vol=3.130000e+07
assign (resid 51 and name HB2) (resid 51 and name HA) 2.867 1.028 2.528 weight 1.000 ! spec=HCH_al, no=2403, id=4066, vol=4.260000e+06
assign (resid 11 and name HB2) (resid 12 and name HN) 2.910 1.058 2.558 weight 1.000 ! spec=HCH_al, no=2405, id=4068, vol=3.900000e+06
assign (resid 43 and name HN) (resid 43 and name HB2) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2407, id=4070, vol=1.450000e+07
assign (resid 36 and name HN) (resid 36 and name HB2) 2.679 0.897 2.397 weight 1.000 ! spec=HCH_al, no=2408, id=4071, vol=6.400000e+06
assign (resid 12 and name HN) (resid 11 and name HB1) 2.984 1.113 2.613 weight 1.000 ! spec=HCH_al, no=2409, id=4072, vol=3.350000e+06
assign (resid 38 and name HN) (resid 37 and name HB1) 2.775 0.963 2.463 weight 1.000 ! spec=HCH_al, no=2410, id=4073, vol=5.180000e+06
assign (resid 38 and name HN) (resid 37 and name HB2) 2.734 0.934 2.434 weight 1.000 ! spec=HCH_al, no=2413, id=4076, vol=5.670000e+06
assign (resid 51 and name HN) (resid 51 and name HB1) 2.772 0.960 2.46 weight 1.000 ! spec=HCH_al, no=2414, id=4077, vol=5.220000e+06
assign (resid 51 and name HB1) (resid 51 and name HA) 2.780 0.966 2.466 weight 1.000 ! spec=HCH_al, no=2415, id=4078, vol=5.130000e+06
assign (resid 51 and name HB2) (resid 51 and name HB1) 2.516 0.792 2.292 weight 1.000 ! spec=HCH_al, no=2421, id=4084, vol=9.320000e+06
assign (resid 37 and name HB1) (resid 37 and name HB2) 2.051 0.526 2.026 weight 1.000 ! spec=HCH_al, no=2424, id=4086, vol=3.180000e+07
assign (resid 37 and name HB1) (resid 37 and name HD22) 2.198 0.604 2.104 weight 1.000 ! spec=HCH_al, no=2425, id=4087, vol=2.100000e+07
    or (resid   37 and name  HB1) (resid   37 and name HD21)
    or (resid   37 and name  HB1) (resid   37 and name HD23)
    or (resid   37 and name  HB1) (resid   37 and name HD12)
    or (resid   37 and name  HB1) (resid   37 and name HD11)
    or (resid   37 and name  HB1) (resid   37 and name HD13)
assign (resid 11 and name HB2) (resid 11 and name HB1) 2.381 0.708 2.208 weight 1.000 ! spec=HCH_al, no=2427, id=4089, vol=1.300000e+07
assign (resid 37 and name HN) (resid 36 and name HB2) 2.782 0.968 2.468 weight 1.000 ! spec=HCH_al, no=2433, id=4095, vol=5.100000e+06
assign (resid 43 and name HG) (resid 40 and name HA) 3.499 1.530 3.03 weight 1.000 ! spec=HCH_al, no=2434, id=4096, vol=1.290000e+06
assign (resid 11 and name HD12) (resid 6 and name HB2) 2.698 0.910 2.41 weight 1.000 ! spec=HCH_al, no=2439, id=4100, vol=6.140000e+06
    or (resid   11 and name HD11) (resid    6 and name  HB2)
    or (resid   11 and name HD13) (resid    6 and name  HB2)
assign (resid 48 and name HD2) (resid 55 and name HD12) 2.479 0.768 2.268 weight 1.000 ! spec=HCH_al, no=2448, id=4107, vol=1.020000e+07
    or (resid   48 and name  HD2) (resid   55 and name HD11)
    or (resid   48 and name  HD2) (resid   55 and name HD13)
    or (resid   48 and name  HD1) (resid   55 and name HD12)
    or (resid   48 and name  HD1) (resid   55 and name HD11)
    or (resid   48 and name  HD1) (resid   55 and name HD13)
assign (resid 101 and name HE2) (resid 101 and name HN) 2.270 0.644 2.144 weight 1.000 ! spec=HCH_al, no=2449, id=4108, vol=1.730000e+07
    or (resid  101 and name  HE1) (resid  101 and name   HN)
assign (resid 38 and name HD21) (resid 48 and name HE2) 2.390 0.714 2.214 weight 1.000 ! spec=HCH_al, no=2452, id=4111, vol=1.270000e+07
    or (resid   38 and name HD21) (resid   48 and name  HE1)
assign (resid 19 and name HG22) (resid 22 and name HG1) 3.040 1.155 2.655 weight 1.000 ! spec=HCH_al, no=2457, id=4116, vol=3.000000e+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 50 and name HG2) (resid 51 and name HN) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=2460, id=4119, vol=1.060000e+07
assign (resid 39 and name HN) (resid 39 and name HG2) 2.547 0.811 2.311 weight 1.000 ! spec=HCH_al, no=2461, id=4120, vol=8.660000e+06
assign (resid 40 and name HN) (resid 39 and name HG2) 3.229 1.303 2.803 weight 1.000 ! spec=HCH_al, no=2462, id=4121, vol=2.090000e+06
assign (resid 44 and name HN) (resid 44 and name HA) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2464, id=4123, vol=1.260000e+07
assign (resid 5 and name HA) (resid 5 and name HN) 2.239 0.626 2.126 weight 1.000 ! spec=HCH_al, no=2466, id=4125, vol=1.880000e+07
assign (resid 136 and name HN) (resid 136 and name HA) 2.270 0.644 2.144 weight 1.000 ! spec=HCH_al, no=2473, id=4132, vol=1.730000e+07
assign (resid 15 and name HB2) (resid 18 and name HA) 2.977 1.108 2.608 weight 1.000 ! spec=HCH_al, no=2477, id=4136, vol=3.400000e+06
    or (resid   15 and name  HB1) (resid   18 and name   HA)
    or (resid   15 and name  HB3) (resid   18 and name   HA)
assign (resid 21 and name HB2) (resid 21 and name HD2) 3.556 1.581 3.081 weight 1.000 ! spec=HCH_al, no=2479, id=4138, vol=1.170000e+06
assign (resid 83 and name HB2) (resid 83 and name HD2) 2.604 0.847 2.347 weight 1.000 ! spec=HCH_al, no=2486, id=4144, vol=7.600000e+06
assign (resid 17 and name HB) (resid 20 and name HB2) 2.832 1.002 2.502 weight 1.000 ! spec=HCH_al, no=2488, id=4146, vol=4.590000e+06
    or (resid   17 and name   HB) (resid   20 and name  HB1)
    or (resid   17 and name   HB) (resid   20 and name  HB3)
assign (resid 58 and name HN) (resid 57 and name HB1) 2.836 1.005 2.505 weight 1.000 ! spec=HCH_al, no=2500, id=4152, vol=4.550000e+06
assign (resid 38 and name HN) (resid 39 and name HG2) 3.173 1.258 2.758 weight 1.000 ! spec=HCH_al, no=2502, id=4154, vol=2.320000e+06
assign (resid 3 and name HG11) (resid 19 and name HG22) 2.559 0.819 2.319 weight 1.000 ! spec=HCH_al, no=2509, id=4161, vol=8.430000e+06
    or (resid    3 and name HG11) (resid   19 and name HG21)
    or (resid    3 and name HG11) (resid   19 and name HG23)
assign (resid 19 and name HN) (resid 19 and name HG12) 2.687 0.902 2.402 weight 1.000 ! spec=HCH_al, no=2514, id=4166, vol=6.290000e+06
assign (resid 49 and name HG1) (resid 47 and name HD2) 2.452 0.751 2.251 weight 1.000 ! spec=HCH_al, no=2519, id=4171, vol=1.090000e+07
    or (resid   49 and name  HG1) (resid   47 and name  HD1)
assign (resid 49 and name HG2) (resid 47 and name HD2) 2.488 0.774 2.274 weight 1.000 ! spec=HCH_al, no=2520, id=4172, vol=9.970000e+06
    or (resid   49 and name  HG2) (resid   47 and name  HD1)
assign (resid 19 and name HD12) (resid 16 and name HN) 2.883 1.039 2.539 weight 1.000 ! spec=HCH_al, no=2522, id=4174, vol=4.120000e+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 19 and name HN) (resid 19 and name HD12) 2.305 0.664 2.164 weight 1.000 ! spec=HCH_al, no=2523, id=4175, vol=1.580000e+07
    or (resid   19 and name   HN) (resid   19 and name HD11)
    or (resid   19 and name   HN) (resid   19 and name HD13)
assign (resid 64 and name HN) (resid 64 and name HD12) 2.571 0.826 2.326 weight 1.000 ! spec=HCH_al, no=2524, id=4176, vol=8.200000e+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 19 and name HD12) (resid 14 and name HN) 3.057 1.168 2.668 weight 1.000 ! spec=HCH_al, no=2525, id=4177, vol=2.900000e+06
    or (resid   19 and name HD11) (resid   14 and name   HN)
    or (resid   19 and name HD13) (resid   14 and name   HN)
assign (resid 64 and name HD12) (resid 61 and name HA) 2.183 0.595 2.095 weight 1.000 ! spec=HCH_al, no=2526, id=4178, vol=2.190000e+07
    or (resid   64 and name HD11) (resid   61 and name   HA)
    or (resid   64 and name HD13) (resid   61 and name   HA)
assign (resid 16 and name HA) (resid 19 and name HD12) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2529, id=4181, vol=1.380000e+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 HB2) (resid 19 and name HD12) 2.249 0.632 2.132 weight 1.000 ! spec=HCH_al, no=2530, id=4182, vol=1.830000e+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) 2.149 0.578 2.078 weight 1.000 ! spec=HCH_al, no=2531, id=4183, vol=2.400000e+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 64 and name HB) (resid 64 and name HD12) 1.888 0.445 1.945 weight 1.000 ! spec=HCH_al, no=2532, id=4184, vol=5.230000e+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 19 and name HG12) (resid 19 and name HD12) 2.002 0.501 2.001 weight 1.000 ! spec=HCH_al, no=2533, id=4185, vol=3.680000e+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 20 and name HA) (resid 18 and name HN) 3.708 1.719 3.219 weight 1.000 ! spec=HCH_al, no=2537, id=4189, vol=9.100000e+05
assign (resid 19 and name HN) (resid 20 and name HA) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=2538, id=4190, vol=1.410000e+06
assign (resid 17 and name HN) (resid 20 and name HB2) 3.022 1.141 2.641 weight 1.000 ! spec=HCH_al, no=2539, id=4191, vol=3.110000e+06
    or (resid   17 and name   HN) (resid   20 and name  HB1)
    or (resid   17 and name   HN) (resid   20 and name  HB3)
assign (resid 33 and name HA) (resid 36 and name HD22) 2.707 0.916 2.416 weight 1.000 ! spec=HCH_al, no=2542, id=4194, vol=6.020000e+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 21 and name HB1) (resid 21 and name HB2) 2.716 0.922 2.422 weight 1.000 ! spec=HCH_al, no=2545, id=4197, vol=5.900000e+06
assign (resid 23 and name HN) (resid 22 and name HG1) 2.968 1.101 2.601 weight 1.000 ! spec=HCH_al, no=2547, id=4199, vol=3.460000e+06
assign (resid 22 and name HN) (resid 22 and name HG1) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=2548, id=4200, vol=6.830000e+06
assign (resid 36 and name HB2) (resid 37 and name HA) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=2555, id=4207, vol=1.520000e+06
assign (resid 36 and name HA) (resid 36 and name HB2) 2.646 0.875 2.375 weight 1.000 ! spec=HCH_al, no=2557, id=4209, vol=6.900000e+06
assign (resid 36 and name HB2) (resid 58 and name HE1) 3.610 1.629 3.129 weight 1.000 ! spec=HCH_al, no=2559, id=4211, vol=1.070000e+06
    or (resid   36 and name  HB2) (resid   58 and name  HE2)
assign (resid 35 and name HN) (resid 36 and name HB2) 3.532 1.559 3.059 weight 1.000 ! spec=HCH_al, no=2560, id=4212, vol=1.220000e+06
assign (resid 24 and name HN) (resid 23 and name HB1) 3.069 1.178 2.678 weight 1.000 ! spec=HCH_al, no=2564, id=4216, vol=2.830000e+06
assign (resid 23 and name HN) (resid 23 and name HB1) 2.808 0.985 2.485 weight 1.000 ! spec=HCH_al, no=2565, id=4217, vol=4.830000e+06
assign (resid 11 and name HG) (resid 6 and name HD1) 3.345 1.399 2.899 weight 1.000 ! spec=HCH_al, no=2568, id=4220, vol=1.690000e+06
    or (resid   11 and name   HG) (resid    6 and name  HD2)
assign (resid 23 and name HN) (resid 23 and name HG) 2.894 1.047 2.547 weight 1.000 ! spec=HCH_al, no=2569, id=4221, vol=4.030000e+06
assign (resid 23 and name HD22) (resid 22 and name HB2) 2.790 0.973 2.473 weight 1.000 ! spec=HCH_al, no=2576, id=4224, vol=5.020000e+06
    or (resid   23 and name HD22) (resid   22 and name  HB1)
    or (resid   23 and name HD21) (resid   22 and name  HB2)
    or (resid   23 and name HD21) (resid   22 and name  HB1)
    or (resid   23 and name HD23) (resid   22 and name  HB2)
    or (resid   23 and name HD23) (resid   22 and name  HB1)
assign (resid 23 and name HN) (resid 24 and name HB1) 3.688 1.700 3.2 weight 1.000 ! spec=HCH_al, no=2579, id=4226, vol=9.410000e+05
assign (resid 9 and name HN) (resid 9 and name HG1) 2.396 0.718 2.218 weight 1.000 ! spec=HCH_al, no=2580, id=4227, vol=1.250000e+07
assign (resid 114 and name HB2) (resid 114 and name HN) 2.437 0.742 2.242 weight 1.000 ! spec=HCH_al, no=2586, id=4231, vol=1.130000e+07
    or (resid  114 and name  HB1) (resid  114 and name   HN)
assign (resid 28 and name HN) (resid 27 and name HB2) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=2589, id=4234, vol=1.940000e+06
assign (resid 37 and name HA) (resid 40 and name HB) 2.718 0.923 2.423 weight 1.000 ! spec=HCH_al, no=2591, id=4236, vol=5.870000e+06
assign (resid 37 and name HA) (resid 40 and name HG12) 3.196 1.277 2.777 weight 1.000 ! spec=HCH_al, no=2592, id=4237, vol=2.220000e+06
assign (resid 28 and name HD2) (resid 28 and name HA) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_al, no=2594, id=4239, vol=8.560000e+06
assign (resid 29 and name HA) (resid 30 and name HD1) 1.924 0.463 1.963 weight 1.000 ! spec=HCH_al, no=2596, id=4241, vol=4.670000e+07
assign (resid 29 and name HG2) (resid 29 and name HB1) 2.216 0.614 2.114 weight 1.000 ! spec=HCH_al, no=2598, id=4243, vol=2.000000e+07
    or (resid   29 and name  HG1) (resid   29 and name  HB1)
assign (resid 29 and name HB2) (resid 29 and name HB1) 1.673 0.350 1.85 weight 1.000 ! spec=HCH_al, no=2600, id=4244, vol=1.080000e+08
assign (resid 101 and name HB2) (resid 101 and name HE2) 2.400 0.720 2.22 weight 1.000 ! spec=HCH_al, no=2604, id=4248, vol=1.240000e+07
    or (resid  101 and name  HB2) (resid  101 and name  HE1)
    or (resid  101 and name  HB1) (resid  101 and name  HE2)
    or (resid  101 and name  HB1) (resid  101 and name  HE1)
assign (resid 96 and name HB2) (resid 95 and name HG12) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_al, no=2608, id=4252, vol=1.000000e+07
    or (resid   96 and name  HB2) (resid   95 and name HG11)
    or (resid   96 and name  HB2) (resid   95 and name HG13)
    or (resid   96 and name  HB1) (resid   95 and name HG12)
    or (resid   96 and name  HB1) (resid   95 and name HG11)
    or (resid   96 and name  HB1) (resid   95 and name HG13)
assign (resid 48 and name HA) (resid 48 and name HD2) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=2609, id=4253, vol=6.850000e+06
    or (resid   48 and name   HA) (resid   48 and name  HD1)
assign (resid 12 and name HB1) (resid 9 and name HN) 3.386 1.433 2.933 weight 1.000 ! spec=HCH_al, no=2613, id=4257, vol=1.570000e+06
assign (resid 30 and name HB2) (resid 76 and name HN) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=2614, id=4258, vol=1.180000e+06
assign (resid 82 and name HA) (resid 83 and name HD1) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_al, no=2620, id=4264, vol=2.320000e+07
assign (resid 30 and name HA) (resid 30 and name HD1) 3.633 1.650 3.15 weight 1.000 ! spec=HCH_al, no=2622, id=4265, vol=1.030000e+06
assign (resid 31 and name HG12) (resid 35 and name HN) 2.742 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2624, id=4267, vol=5.570000e+06
    or (resid   31 and name HG11) (resid   35 and name   HN)
    or (resid   31 and name HG13) (resid   35 and name   HN)
assign (resid 32 and name HD2) (resid 32 and name HA) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_al, no=2628, id=4271, vol=2.210000e+06
assign (resid 96 and name HN) (resid 95 and name HB) 2.684 0.901 2.401 weight 1.000 ! spec=HCH_al, no=2632, id=4275, vol=6.330000e+06
assign (resid 128 and name HB) (resid 129 and name HN) 2.588 0.837 2.337 weight 1.000 ! spec=HCH_al, no=2633, id=4276, vol=7.870000e+06
assign (resid 33 and name HN) (resid 32 and name HB1) 3.513 1.542 3.042 weight 1.000 ! spec=HCH_al, no=2634, id=4277, vol=1.260000e+06
assign (resid 31 and name HN) (resid 32 and name HD1) 3.849 1.852 3.352 weight 1.000 ! spec=HCH_al, no=2636, id=4279, vol=7.280000e+05
assign (resid 33 and name HN) (resid 33 and name HB2) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=2641, id=4284, vol=3.410000e+06
assign (resid 33 and name HB1) (resid 33 and name HD1) 2.911 1.059 2.559 weight 1.000 ! spec=HCH_al, no=2643, id=4286, vol=3.890000e+06
    or (resid   33 and name  HB1) (resid   33 and name  HD2)
assign (resid 33 and name HB2) (resid 33 and name HD1) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=2644, id=4287, vol=3.950000e+06
    or (resid   33 and name  HB2) (resid   33 and name  HD2)
assign (resid 32 and name HA) (resid 33 and name HB2) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=2647, id=4290, vol=1.110000e+06
assign (resid 33 and name HB1) (resid 33 and name HB2) 2.719 0.924 2.424 weight 1.000 ! spec=HCH_al, no=2650, id=4293, vol=5.860000e+06
assign (resid 34 and name HG2) (resid 33 and name HD1) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=2654, id=4296, vol=1.920000e+06
    or (resid   34 and name  HG2) (resid   33 and name  HD2)
assign (resid 23 and name HN) (resid 23 and name HA) 2.629 0.864 2.364 weight 1.000 ! spec=HCH_al, no=2656, id=4298, vol=7.170000e+06
assign (resid 57 and name HA) (resid 149 and name HN) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=2657, id=4299, vol=1.230000e+06
assign (resid 36 and name HB1) (resid 36 and name HA) 2.801 0.981 2.481 weight 1.000 ! spec=HCH_al, no=2661, id=4303, vol=4.900000e+06
assign (resid 36 and name HB1) (resid 36 and name HD22) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2667, id=4309, vol=1.370000e+07
    or (resid   36 and name  HB1) (resid   36 and name HD21)
    or (resid   36 and name  HB1) (resid   36 and name HD23)
    or (resid   36 and name  HB1) (resid   36 and name HD12)
    or (resid   36 and name  HB1) (resid   36 and name HD11)
    or (resid   36 and name  HB1) (resid   36 and name HD13)
assign (resid 36 and name HG) (resid 35 and name HN) 3.517 1.546 3.046 weight 1.000 ! spec=HCH_al, no=2669, id=4310, vol=1.250000e+06
assign (resid 37 and name HB1) (resid 48 and name HD2) 2.650 0.878 2.378 weight 1.000 ! spec=HCH_al, no=2670, id=4311, vol=6.840000e+06
    or (resid   37 and name  HB1) (resid   48 and name  HD1)
assign (resid 37 and name HN) (resid 37 and name HB2) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=2671, id=4312, vol=1.120000e+07
assign (resid 31 and name HN) (resid 71 and name HD12) 2.879 1.036 2.536 weight 1.000 ! spec=HCH_al, no=2672, id=4313, vol=4.160000e+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 41 and name HB2) (resid 38 and name HB1) 3.191 1.273 2.773 weight 1.000 ! spec=HCH_al, no=2675, id=4316, vol=2.240000e+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 59 and name HB2) (resid 33 and name HZ) 2.833 1.003 2.503 weight 1.000 ! spec=HCH_al, no=2677, id=4317, vol=4.580000e+06
assign (resid 154 and name HG2) (resid 153 and name HG22) 2.349 0.690 2.19 weight 1.000 ! spec=HCH_al, no=2679, id=4319, vol=1.410000e+07
    or (resid  154 and name  HG2) (resid  153 and name HG21)
    or (resid  154 and name  HG2) (resid  153 and name HG23)
    or (resid  154 and name  HG1) (resid  153 and name HG22)
    or (resid  154 and name  HG1) (resid  153 and name HG21)
    or (resid  154 and name  HG1) (resid  153 and name HG23)
assign (resid 40 and name HA) (resid 39 and name HA) 3.376 1.424 2.924 weight 1.000 ! spec=HCH_al, no=2684, id=4324, vol=1.600000e+06
assign (resid 40 and name HB) (resid 40 and name HA) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_al, no=2685, id=4325, vol=5.640000e+06
assign (resid 47 and name HN) (resid 46 and name HG22) 2.638 0.870 2.37 weight 1.000 ! spec=HCH_al, no=2686, id=4326, vol=7.020000e+06
    or (resid   47 and name   HN) (resid   46 and name HG21)
    or (resid   47 and name   HN) (resid   46 and name HG23)
assign (resid 46 and name HN) (resid 46 and name HG22) 2.026 0.513 2.013 weight 1.000 ! spec=HCH_al, no=2687, id=4327, vol=3.420000e+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 40 and name HG22) (resid 58 and name HE1) 3.033 1.150 2.65 weight 1.000 ! spec=HCH_al, no=2690, id=4330, vol=3.040000e+06
    or (resid   40 and name HG22) (resid   58 and name  HE2)
    or (resid   40 and name HG21) (resid   58 and name  HE1)
    or (resid   40 and name HG21) (resid   58 and name  HE2)
    or (resid   40 and name HG23) (resid   58 and name  HE1)
    or (resid   40 and name HG23) (resid   58 and name  HE2)
assign (resid 40 and name HG12) (resid 40 and name HN) 2.900 1.051 2.551 weight 1.000 ! spec=HCH_al, no=2693, id=4333, vol=3.980000e+06
assign (resid 20 and name HN) (resid 40 and name HD12) 2.612 0.853 2.353 weight 1.000 ! spec=HCH_al, no=2695, id=4335, vol=7.460000e+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 HN) (resid 40 and name HD12) 2.366 0.700 2.2 weight 1.000 ! spec=HCH_al, no=2697, id=4337, vol=1.350000e+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 38 and name HN) (resid 40 and name HD12) 3.236 1.309 2.809 weight 1.000 ! spec=HCH_al, no=2700, id=4340, vol=2.060000e+06
    or (resid   38 and name   HN) (resid   40 and name HD11)
    or (resid   38 and name   HN) (resid   40 and name HD13)
assign (resid 37 and name HN) (resid 40 and name HD12) 3.191 1.273 2.773 weight 1.000 ! spec=HCH_al, no=2702, id=4342, vol=2.240000e+06
    or (resid   37 and name   HN) (resid   40 and name HD11)
    or (resid   37 and name   HN) (resid   40 and name HD13)
assign (resid 40 and name HD12) (resid 58 and name HD1) 2.856 1.020 2.52 weight 1.000 ! spec=HCH_al, no=2703, id=4343, vol=4.360000e+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) 2.255 0.636 2.136 weight 1.000 ! spec=HCH_al, no=2704, id=4344, vol=1.800000e+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 36 and name HA) (resid 40 and name HD12) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=2705, id=4345, vol=3.430000e+06
    or (resid   36 and name   HA) (resid   40 and name HD11)
    or (resid   36 and name   HA) (resid   40 and name HD13)
assign (resid 17 and name HA) (resid 40 and name HD12) 2.996 1.122 2.622 weight 1.000 ! spec=HCH_al, no=2706, id=4346, vol=3.270000e+06
    or (resid   17 and name   HA) (resid   40 and name HD11)
    or (resid   17 and name   HA) (resid   40 and name HD13)
assign (resid 20 and name HA) (resid 40 and name HD12) 2.566 0.823 2.323 weight 1.000 ! spec=HCH_al, no=2707, id=4347, vol=8.300000e+06
    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) 2.360 0.696 2.196 weight 1.000 ! spec=HCH_al, no=2708, id=4348, vol=1.370000e+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 HD12) (resid 39 and name HB2) 3.061 1.171 2.671 weight 1.000 ! spec=HCH_al, no=2711, id=4351, vol=2.880000e+06
    or (resid   40 and name HD12) (resid   39 and name  HB1)
    or (resid   40 and name HD11) (resid   39 and name  HB2)
    or (resid   40 and name HD11) (resid   39 and name  HB1)
    or (resid   40 and name HD13) (resid   39 and name  HB2)
    or (resid   40 and name HD13) (resid   39 and name  HB1)
assign (resid 40 and name HG12) (resid 40 and name HD12) 2.073 0.537 2.037 weight 1.000 ! spec=HCH_al, no=2712, id=4352, vol=2.980000e+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) 2.095 0.549 2.049 weight 1.000 ! spec=HCH_al, no=2713, id=4353, vol=2.800000e+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 20 and name HB2) (resid 40 and name HD12) 2.031 0.516 2.016 weight 1.000 ! spec=HCH_al, no=2714, id=4354, vol=3.370000e+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 40 and name HD12) (resid 37 and name HB2) 2.603 0.847 2.347 weight 1.000 ! spec=HCH_al, no=2715, id=4355, vol=7.610000e+06
    or (resid   40 and name HD11) (resid   37 and name  HB2)
    or (resid   40 and name HD13) (resid   37 and name  HB2)
assign (resid 40 and name HD12) (resid 36 and name HD22) 1.838 0.422 1.922 weight 1.000 ! spec=HCH_al, no=2719, id=4359, vol=6.140000e+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 79 and name HN) (resid 69 and name HB2) 3.092 1.195 2.695 weight 1.000 ! spec=HCH_al, no=2721, id=4361, vol=2.710000e+06
assign (resid 69 and name HB2) (resid 79 and name HB1) 2.895 1.048 2.548 weight 1.000 ! spec=HCH_al, no=2722, id=4362, vol=4.020000e+06
assign (resid 87 and name HN) (resid 87 and name HB2) 2.523 0.796 2.296 weight 1.000 ! spec=HCH_al, no=2725, id=4365, vol=9.170000e+06
assign (resid 87 and name HB1) (resid 87 and name HN) 2.559 0.819 2.319 weight 1.000 ! spec=HCH_al, no=2726, id=4366, vol=8.430000e+06
assign (resid 44 and name HB1) (resid 44 and name HN) 2.839 1.008 2.508 weight 1.000 ! spec=HCH_al, no=2727, id=4367, vol=4.520000e+06
assign (resid 44 and name HB2) (resid 46 and name HN) 3.522 1.551 3.051 weight 1.000 ! spec=HCH_al, no=2729, id=4369, vol=1.240000e+06
assign (resid 44 and name HB2) (resid 44 and name HN) 2.713 0.920 2.42 weight 1.000 ! spec=HCH_al, no=2730, id=4370, vol=5.940000e+06
assign (resid 44 and name HB1) (resid 41 and name HA) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=2732, id=4372, vol=1.180000e+06
assign (resid 44 and name HB2) (resid 44 and name HA) 3.052 1.164 2.664 weight 1.000 ! spec=HCH_al, no=2734, id=4374, vol=2.930000e+06
assign (resid 40 and name HG22) (resid 19 and name HG22) 1.686 0.355 1.855 weight 1.000 ! spec=HCH_al, no=2740, id=4376, vol=1.030000e+08
    or (resid   40 and name HG22) (resid   19 and name HG21)
    or (resid   40 and name HG22) (resid   19 and name HG23)
    or (resid   40 and name HG21) (resid   19 and name HG22)
    or (resid   40 and name HG21) (resid   19 and name HG21)
    or (resid   40 and name HG21) (resid   19 and name HG23)
    or (resid   40 and name HG23) (resid   19 and name HG22)
    or (resid   40 and name HG23) (resid   19 and name HG21)
    or (resid   40 and name HG23) (resid   19 and name HG23)
assign (resid 47 and name HD2) (resid 50 and name HG2) 2.441 0.745 2.245 weight 1.000 ! spec=HCH_al, no=2745, id=4381, vol=1.120000e+07
    or (resid   47 and name  HD1) (resid   50 and name  HG2)
assign (resid 48 and name HE2) (resid 51 and name HD22) 2.406 0.724 2.224 weight 1.000 ! spec=HCH_al, no=2750, id=4386, vol=1.220000e+07
    or (resid   48 and name  HE2) (resid   51 and name HD21)
    or (resid   48 and name  HE2) (resid   51 and name HD23)
    or (resid   48 and name  HE2) (resid   51 and name HD12)
    or (resid   48 and name  HE2) (resid   51 and name HD11)
    or (resid   48 and name  HE2) (resid   51 and name HD13)
    or (resid   48 and name  HE1) (resid   51 and name HD22)
    or (resid   48 and name  HE1) (resid   51 and name HD21)
    or (resid   48 and name  HE1) (resid   51 and name HD23)
    or (resid   48 and name  HE1) (resid   51 and name HD12)
    or (resid   48 and name  HE1) (resid   51 and name HD11)
    or (resid   48 and name  HE1) (resid   51 and name HD13)
assign (resid 48 and name HG2) (resid 49 and name HA) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=2752, id=4387, vol=3.500000e+06
    or (resid   48 and name  HG1) (resid   49 and name   HA)
assign (resid 51 and name HB2) (resid 51 and name HN) 2.678 0.896 2.396 weight 1.000 ! spec=HCH_al, no=2757, id=4392, vol=6.420000e+06
assign (resid 51 and name HB2) (resid 48 and name HA) 3.567 1.590 3.09 weight 1.000 ! spec=HCH_al, no=2758, id=4393, vol=1.150000e+06
assign (resid 51 and name HB2) (resid 51 and name HD22) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2759, id=4394, vol=1.280000e+07
    or (resid   51 and name  HB2) (resid   51 and name HD21)
    or (resid   51 and name  HB2) (resid   51 and name HD23)
    or (resid   51 and name  HB2) (resid   51 and name HD12)
    or (resid   51 and name  HB2) (resid   51 and name HD11)
    or (resid   51 and name  HB2) (resid   51 and name HD13)
assign (resid 52 and name HA2) (resid 53 and name HB1) 3.715 1.725 3.225 weight 1.000 ! spec=HCH_al, no=2763, id=4397, vol=9.010000e+05
assign (resid 55 and name HN) (resid 53 and name HA) 2.831 1.002 2.502 weight 1.000 ! spec=HCH_al, no=2764, id=4398, vol=4.600000e+06
assign (resid 53 and name HB1) (resid 53 and name HA) 2.338 0.683 2.183 weight 1.000 ! spec=HCH_al, no=2766, id=4400, vol=1.450000e+07
assign (resid 61 and name HB2) (resid 58 and name HA) 3.280 1.345 2.845 weight 1.000 ! spec=HCH_al, no=2767, id=4401, vol=1.900000e+06
assign (resid 54 and name HN) (resid 53 and name HB1) 2.990 1.118 2.618 weight 1.000 ! spec=HCH_al, no=2769, id=4403, vol=3.310000e+06
assign (resid 53 and name HN) (resid 53 and name HB1) 2.893 1.046 2.546 weight 1.000 ! spec=HCH_al, no=2770, id=4404, vol=4.040000e+06
assign (resid 54 and name HA) (resid 16 and name HD12) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_al, no=2772, id=4406, vol=2.380000e+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 54 and name HN) 2.984 1.113 2.613 weight 1.000 ! spec=HCH_al, no=2773, id=4407, vol=3.350000e+06
assign (resid 77 and name HA2) (resid 77 and name HN) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_al, no=2774, id=4408, vol=2.770000e+06
assign (resid 54 and name HD2) (resid 54 and name HN) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=2775, id=4409, vol=3.430000e+06
assign (resid 54 and name HD2) (resid 55 and name HN) 3.832 1.836 3.336 weight 1.000 ! spec=HCH_al, no=2778, id=4412, vol=7.470000e+05
assign (resid 54 and name HD2) (resid 54 and name HE) 2.872 1.031 2.531 weight 1.000 ! spec=HCH_al, no=2779, id=4413, vol=4.220000e+06
assign (resid 54 and name HD1) (resid 54 and name HE) 2.937 1.078 2.578 weight 1.000 ! spec=HCH_al, no=2780, id=4414, vol=3.690000e+06
assign (resid 77 and name HA2) (resid 68 and name HD1) 3.577 1.599 3.099 weight 1.000 ! spec=HCH_al, no=2781, id=4415, vol=1.130000e+06
    or (resid   77 and name  HA2) (resid   68 and name  HD2)
assign (resid 77 and name HA2) (resid 81 and name HZ3) 3.048 1.162 2.662 weight 1.000 ! spec=HCH_al, no=2782, id=4416, vol=2.950000e+06
assign (resid 77 and name HA2) (resid 76 and name HA) 3.654 1.669 3.169 weight 1.000 ! spec=HCH_al, no=2784, id=4418, vol=9.950000e+05
assign (resid 54 and name HD2) (resid 54 and name HA) 3.041 1.156 2.656 weight 1.000 ! spec=HCH_al, no=2788, id=4422, vol=2.990000e+06
assign (resid 54 and name HD2) (resid 51 and name HA) 3.031 1.149 2.649 weight 1.000 ! spec=HCH_al, no=2789, id=4423, vol=3.050000e+06
assign (resid 54 and name HD1) (resid 51 and name HA) 3.082 1.188 2.688 weight 1.000 ! spec=HCH_al, no=2790, id=4424, vol=2.760000e+06
assign (resid 78 and name HN) (resid 77 and name HA2) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=2791, id=4425, vol=4.180000e+06
assign (resid 77 and name HA2) (resid 77 and name HA1) 2.657 0.882 2.382 weight 1.000 ! spec=HCH_al, no=2792, id=4426, vol=6.730000e+06
assign (resid 54 and name HD1) (resid 54 and name HD2) 1.717 0.369 1.869 weight 1.000 ! spec=HCH_al, no=2793, id=4427, vol=9.230000e+07
assign (resid 54 and name HD2) (resid 54 and name HB2) 2.540 0.806 2.306 weight 1.000 ! spec=HCH_al, no=2797, id=4430, vol=8.820000e+06
assign (resid 54 and name HD2) (resid 54 and name HG2) 2.393 0.716 2.216 weight 1.000 ! spec=HCH_al, no=2798, id=4431, vol=1.260000e+07
assign (resid 54 and name HD1) (resid 54 and name HG2) 2.387 0.712 2.212 weight 1.000 ! spec=HCH_al, no=2799, id=4432, vol=1.280000e+07
assign (resid 54 and name HD1) (resid 54 and name HB2) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_al, no=2800, id=4433, vol=8.860000e+06
assign (resid 54 and name HD1) (resid 54 and name HG1) 2.349 0.690 2.19 weight 1.000 ! spec=HCH_al, no=2802, id=4434, vol=1.410000e+07
assign (resid 54 and name HD2) (resid 51 and name HB1) 3.784 1.790 3.29 weight 1.000 ! spec=HCH_al, no=2803, id=4435, vol=8.060000e+05
assign (resid 54 and name HD1) (resid 51 and name HB1) 3.447 1.486 2.986 weight 1.000 ! spec=HCH_al, no=2804, id=4436, vol=1.410000e+06
assign (resid 77 and name HA2) (resid 71 and name HD12) 2.995 1.121 2.621 weight 1.000 ! spec=HCH_al, no=2805, id=4437, vol=3.280000e+06
    or (resid   77 and name  HA2) (resid   71 and name HD11)
    or (resid   77 and name  HA2) (resid   71 and name HD13)
assign (resid 54 and name HD1) (resid 51 and name HD22) 2.623 0.860 2.36 weight 1.000 ! spec=HCH_al, no=2808, id=4439, vol=7.260000e+06
    or (resid   54 and name  HD1) (resid   51 and name HD21)
    or (resid   54 and name  HD1) (resid   51 and name HD23)
    or (resid   54 and name  HD1) (resid   51 and name HD12)
    or (resid   54 and name  HD1) (resid   51 and name HD11)
    or (resid   54 and name  HD1) (resid   51 and name HD13)
assign (resid 55 and name HG22) (resid 34 and name HG2) 3.439 1.479 2.979 weight 1.000 ! spec=HCH_al, no=2811, id=4442, vol=1.430000e+06
    or (resid   55 and name HG21) (resid   34 and name  HG2)
    or (resid   55 and name HG23) (resid   34 and name  HG2)
assign (resid 58 and name HB2) (resid 55 and name HG22) 2.930 1.073 2.573 weight 1.000 ! spec=HCH_al, no=2812, id=4443, vol=3.740000e+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 56 and name HN) (resid 55 and name HG11) 3.692 1.704 3.204 weight 1.000 ! spec=HCH_al, no=2813, id=4444, vol=9.350000e+05
assign (resid 55 and name HD12) (resid 37 and name HD22) 1.808 0.409 1.909 weight 1.000 ! spec=HCH_al, no=2814, id=4445, vol=6.770000e+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 55 and name HD12) (resid 48 and name HG2) 2.302 0.662 2.162 weight 1.000 ! spec=HCH_al, no=2816, id=4447, vol=1.590000e+07
    or (resid   55 and name HD12) (resid   48 and name  HG1)
    or (resid   55 and name HD11) (resid   48 and name  HG2)
    or (resid   55 and name HD11) (resid   48 and name  HG1)
    or (resid   55 and name HD13) (resid   48 and name  HG2)
    or (resid   55 and name HD13) (resid   48 and name  HG1)
assign (resid 55 and name HG12) (resid 55 and name HD12) 1.910 0.456 1.956 weight 1.000 ! spec=HCH_al, no=2818, id=4449, vol=4.880000e+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 HB) (resid 55 and name HD12) 1.989 0.495 1.995 weight 1.000 ! spec=HCH_al, no=2819, id=4450, vol=3.820000e+07
    or (resid   55 and name   HB) (resid   55 and name HD11)
    or (resid   55 and name   HB) (resid   55 and name HD13)
assign (resid 55 and name HD12) (resid 48 and name HE2) 2.871 1.030 2.53 weight 1.000 ! spec=HCH_al, no=2820, id=4451, vol=4.230000e+06
    or (resid   55 and name HD12) (resid   48 and name  HE1)
    or (resid   55 and name HD11) (resid   48 and name  HE2)
    or (resid   55 and name HD11) (resid   48 and name  HE1)
    or (resid   55 and name HD13) (resid   48 and name  HE2)
    or (resid   55 and name HD13) (resid   48 and name  HE1)
assign (resid 58 and name HB2) (resid 55 and name HD12) 3.338 1.393 2.893 weight 1.000 ! spec=HCH_al, no=2821, id=4452, vol=1.710000e+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 52 and name HA1) (resid 55 and name HD12) 2.622 0.860 2.36 weight 1.000 ! spec=HCH_al, no=2824, id=4455, vol=7.280000e+06
    or (resid   52 and name  HA1) (resid   55 and name HD11)
    or (resid   52 and name  HA1) (resid   55 and name HD13)
assign (resid 55 and name HD12) (resid 33 and name HE1) 3.086 1.190 2.69 weight 1.000 ! spec=HCH_al, no=2826, id=4457, vol=2.740000e+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 57 and name HB1) (resid 56 and name HB2) 2.810 0.987 2.487 weight 1.000 ! spec=HCH_al, no=2833, id=4464, vol=4.810000e+06
    or (resid   57 and name  HB1) (resid   56 and name  HB1)
    or (resid   57 and name  HB1) (resid   56 and name  HB3)
assign (resid 75 and name HN) (resid 74 and name HA) 2.868 1.028 2.528 weight 1.000 ! spec=HCH_al, no=2835, id=4466, vol=4.250000e+06
assign (resid 57 and name HB1) (resid 54 and name HA) 2.743 0.940 2.44 weight 1.000 ! spec=HCH_al, no=2836, id=4467, vol=5.560000e+06
assign (resid 9 and name HN) (resid 9 and name HB2) 2.325 0.675 2.175 weight 1.000 ! spec=HCH_al, no=2837, id=4468, vol=1.500000e+07
assign (resid 34 and name HG1) (resid 37 and name HD22) 3.261 1.329 2.829 weight 1.000 ! spec=HCH_al, no=2839, id=4470, vol=1.970000e+06
    or (resid   34 and name  HG1) (resid   37 and name HD21)
    or (resid   34 and name  HG1) (resid   37 and name HD23)
    or (resid   34 and name  HG1) (resid   37 and name HD12)
    or (resid   34 and name  HG1) (resid   37 and name HD11)
    or (resid   34 and name  HG1) (resid   37 and name HD13)
assign (resid 59 and name HB1) (resid 33 and name HE1) 3.532 1.559 3.059 weight 1.000 ! spec=HCH_al, no=2844, id=4473, vol=1.220000e+06
    or (resid   59 and name  HB1) (resid   33 and name  HE2)
assign (resid 59 and name HB1) (resid 33 and name HZ) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=2845, id=4474, vol=2.010000e+06
assign (resid 60 and name HB) (resid 61 and name HB1) 3.263 1.331 2.831 weight 1.000 ! spec=HCH_al, no=2849, id=4476, vol=1.960000e+06
assign (resid 60 and name HB) (resid 59 and name HN) 3.236 1.309 2.809 weight 1.000 ! spec=HCH_al, no=2851, id=4478, vol=2.060000e+06
assign (resid 60 and name HG21) (resid 61 and name HB1) 2.871 1.030 2.53 weight 1.000 ! spec=HCH_al, no=2854, id=4481, vol=4.230000e+06
    or (resid   60 and name HG22) (resid   61 and name  HB1)
    or (resid   60 and name HG23) (resid   61 and name  HB1)
assign (resid 60 and name HG21) (resid 64 and name HG12) 2.274 0.647 2.147 weight 1.000 ! spec=HCH_al, no=2856, id=4483, vol=1.710000e+07
    or (resid   60 and name HG22) (resid   64 and name HG12)
    or (resid   60 and name HG23) (resid   64 and name HG12)
assign (resid 61 and name HB1) (resid 17 and name HG22) 2.668 0.890 2.39 weight 1.000 ! spec=HCH_al, no=2857, id=4484, vol=6.560000e+06
    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 61 and name HB2) (resid 17 and name HG22) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_al, no=2858, id=4485, vol=5.040000e+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 HB1) (resid 17 and name HB) 2.881 1.037 2.537 weight 1.000 ! spec=HCH_al, no=2859, id=4486, vol=4.140000e+06
assign (resid 61 and name HB1) (resid 61 and name HB2) 2.419 0.732 2.232 weight 1.000 ! spec=HCH_al, no=2861, id=4488, vol=1.180000e+07
assign (resid 62 and name HN) (resid 61 and name HB2) 2.741 0.939 2.439 weight 1.000 ! spec=HCH_al, no=2865, id=4492, vol=5.580000e+06
assign (resid 61 and name HN) (resid 61 and name HB2) 2.868 1.028 2.528 weight 1.000 ! spec=HCH_al, no=2866, id=4493, vol=4.250000e+06
assign (resid 61 and name HN) (resid 61 and name HB1) 2.819 0.993 2.493 weight 1.000 ! spec=HCH_al, no=2867, id=4494, vol=4.720000e+06
assign (resid 62 and name HG) (resid 62 and name HB1) 2.836 1.005 2.505 weight 1.000 ! spec=HCH_al, no=2871, id=4498, vol=4.550000e+06
assign (resid 63 and name HN) (resid 62 and name HB1) 3.201 1.281 2.781 weight 1.000 ! spec=HCH_al, no=2876, id=4503, vol=2.200000e+06
assign (resid 62 and name HN) (resid 62 and name HB1) 2.845 1.012 2.512 weight 1.000 ! spec=HCH_al, no=2877, id=4504, vol=4.460000e+06
assign (resid 62 and name HN) (resid 62 and name HB2) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_al, no=2878, id=4505, vol=6.340000e+06
assign (resid 63 and name HN) (resid 62 and name HB2) 2.941 1.081 2.581 weight 1.000 ! spec=HCH_al, no=2879, id=4506, vol=3.660000e+06
assign (resid 59 and name HA) (resid 62 and name HB2) 3.035 1.151 2.651 weight 1.000 ! spec=HCH_al, no=2882, id=4509, vol=3.030000e+06
assign (resid 62 and name HG) (resid 62 and name HB2) 2.704 0.914 2.414 weight 1.000 ! spec=HCH_al, no=2883, id=4510, vol=6.060000e+06
assign (resid 62 and name HB1) (resid 62 and name HB2) 2.416 0.730 2.23 weight 1.000 ! spec=HCH_al, no=2884, id=4511, vol=1.190000e+07
assign (resid 62 and name HB2) (resid 17 and name HG22) 3.468 1.504 3.004 weight 1.000 ! spec=HCH_al, no=2885, id=4512, vol=1.360000e+06
    or (resid   62 and name  HB2) (resid   17 and name HG21)
    or (resid   62 and name  HB2) (resid   17 and name HG23)
    or (resid   62 and name  HB2) (resid   17 and name HG12)
    or (resid   62 and name  HB2) (resid   17 and name HG11)
    or (resid   62 and name  HB2) (resid   17 and name HG13)
assign (resid 62 and name HG) (resid 76 and name HH2) 3.604 1.624 3.124 weight 1.000 ! spec=HCH_al, no=2887, id=4514, vol=1.080000e+06
assign (resid 63 and name HA) (resid 62 and name HB1) 3.405 1.449 2.949 weight 1.000 ! spec=HCH_al, no=2889, id=4516, vol=1.520000e+06
assign (resid 70 and name HB2) (resid 63 and name HA) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=2890, id=4517, vol=1.580000e+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 66 and name HN) (resid 65 and name HA) 2.754 0.948 2.448 weight 1.000 ! spec=HCH_al, no=2892, id=4519, vol=5.420000e+06
assign (resid 118 and name HN) (resid 118 and name HG12) 2.430 0.738 2.238 weight 1.000 ! spec=HCH_al, no=2899, id=4524, vol=1.150000e+07
assign (resid 159 and name HN) (resid 158 and name HG12) 2.784 0.969 2.469 weight 1.000 ! spec=HCH_al, no=2901, id=4526, vol=5.080000e+06
assign (resid 64 and name HD12) (resid 65 and name HN) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=2903, id=4528, vol=7.990000e+06
    or (resid   64 and name HD11) (resid   65 and name   HN)
    or (resid   64 and name HD13) (resid   65 and name   HN)
assign (resid 79 and name HD1) (resid 79 and name HN) 3.062 1.172 2.672 weight 1.000 ! spec=HCH_al, no=2904, id=4529, vol=2.870000e+06
assign (resid 79 and name HD1) (resid 79 and name HE) 2.628 0.863 2.363 weight 1.000 ! spec=HCH_al, no=2906, id=4531, vol=7.180000e+06
assign (resid 65 and name HB2) (resid 68 and name HD1) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=2907, id=4532, vol=1.920000e+06
    or (resid   65 and name  HB2) (resid   68 and name  HD2)
assign (resid 79 and name HD2) (resid 79 and name HE) 2.653 0.880 2.38 weight 1.000 ! spec=HCH_al, no=2908, id=4533, vol=6.790000e+06
assign (resid 79 and name HN) (resid 79 and name HD2) 3.069 1.178 2.678 weight 1.000 ! spec=HCH_al, no=2909, id=4534, vol=2.830000e+06
assign (resid 66 and name HN) (resid 65 and name HB2) 3.582 1.604 3.104 weight 1.000 ! spec=HCH_al, no=2910, id=4535, vol=1.120000e+06
assign (resid 65 and name HN) (resid 65 and name HB1) 3.048 1.162 2.662 weight 1.000 ! spec=HCH_al, no=2912, id=4537, vol=2.950000e+06
assign (resid 79 and name HD2) (resid 86 and name HE22) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=2913, id=4538, vol=3.440000e+06
assign (resid 79 and name HD1) (resid 86 and name HE22) 3.151 1.241 2.741 weight 1.000 ! spec=HCH_al, no=2914, id=4539, vol=2.420000e+06
assign (resid 79 and name HD2) (resid 69 and name HA) 3.269 1.336 2.836 weight 1.000 ! spec=HCH_al, no=2916, id=4541, vol=1.940000e+06
assign (resid 79 and name HD1) (resid 69 and name HA) 3.231 1.305 2.805 weight 1.000 ! spec=HCH_al, no=2917, id=4542, vol=2.080000e+06
assign (resid 65 and name HB1) (resid 65 and name HA) 3.752 1.759 3.259 weight 1.000 ! spec=HCH_al, no=2919, id=4544, vol=8.490000e+05
assign (resid 79 and name HA) (resid 79 and name HD1) 2.713 0.920 2.42 weight 1.000 ! spec=HCH_al, no=2920, id=4545, vol=5.940000e+06
assign (resid 79 and name HA) (resid 79 and name HD2) 2.798 0.979 2.479 weight 1.000 ! spec=HCH_al, no=2921, id=4546, vol=4.930000e+06
assign (resid 65 and name HB2) (resid 65 and name HA) 3.073 1.180 2.68 weight 1.000 ! spec=HCH_al, no=2922, id=4547, vol=2.810000e+06
assign (resid 79 and name HD1) (resid 79 and name HD2) 1.833 0.420 1.92 weight 1.000 ! spec=HCH_al, no=2924, id=4549, vol=6.250000e+07
assign (resid 79 and name HG2) (resid 79 and name HD1) 2.288 0.654 2.154 weight 1.000 ! spec=HCH_al, no=2926, id=4550, vol=1.650000e+07
assign (resid 79 and name HG2) (resid 79 and name HD2) 2.309 0.667 2.167 weight 1.000 ! spec=HCH_al, no=2927, id=4551, vol=1.560000e+07
assign (resid 79 and name HD1) (resid 69 and name HB2) 3.319 1.377 2.877 weight 1.000 ! spec=HCH_al, no=2930, id=4554, vol=1.770000e+06
assign (resid 69 and name HB2) (resid 79 and name HD2) 3.250 1.320 2.82 weight 1.000 ! spec=HCH_al, no=2931, id=4555, vol=2.010000e+06
assign (resid 69 and name HB1) (resid 79 and name HD2) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_al, no=2932, id=4556, vol=2.180000e+06
assign (resid 69 and name HB1) (resid 79 and name HD1) 3.252 1.322 2.822 weight 1.000 ! spec=HCH_al, no=2933, id=4557, vol=2.000000e+06
assign (resid 79 and name HD1) (resid 69 and name HD22) 3.077 1.183 2.683 weight 1.000 ! spec=HCH_al, no=2935, id=4559, vol=2.790000e+06
    or (resid   79 and name  HD1) (resid   69 and name HD21)
    or (resid   79 and name  HD1) (resid   69 and name HD23)
assign (resid 67 and name HN) (resid 66 and name HA1) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=2938, id=4562, vol=1.580000e+06
assign (resid 12 and name HG2) (resid 12 and name HB1) 2.181 0.595 2.095 weight 1.000 ! spec=HCH_al, no=2942, id=4566, vol=2.200000e+07
assign (resid 76 and name HA) (resid 77 and name HA1) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=2947, id=4571, vol=1.660000e+06
assign (resid 69 and name HN) (resid 68 and name HB2) 3.155 1.244 2.744 weight 1.000 ! spec=HCH_al, no=2951, id=4575, vol=2.400000e+06
assign (resid 68 and name HN) (resid 68 and name HB2) 3.080 1.186 2.686 weight 1.000 ! spec=HCH_al, no=2952, id=4576, vol=2.770000e+06
assign (resid 68 and name HB1) (resid 76 and name HE3) 3.148 1.239 2.739 weight 1.000 ! spec=HCH_al, no=2954, id=4578, vol=2.430000e+06
assign (resid 68 and name HB1) (resid 68 and name HD1) 2.912 1.060 2.56 weight 1.000 ! spec=HCH_al, no=2955, id=4579, vol=3.880000e+06
    or (resid   68 and name  HB1) (resid   68 and name  HD2)
assign (resid 68 and name HB2) (resid 68 and name HA) 3.134 1.227 2.727 weight 1.000 ! spec=HCH_al, no=2961, id=4585, vol=2.500000e+06
assign (resid 68 and name HB1) (resid 79 and name HN) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_al, no=2962, id=4586, vol=1.400000e+06
assign (resid 68 and name HB1) (resid 78 and name HA) 3.561 1.585 3.085 weight 1.000 ! spec=HCH_al, no=2963, id=4587, vol=1.160000e+06
assign (resid 68 and name HB1) (resid 68 and name HB2) 2.641 0.872 2.372 weight 1.000 ! spec=HCH_al, no=2965, id=4589, vol=6.980000e+06
assign (resid 78 and name HD22) (resid 68 and name HB2) 3.703 1.714 3.214 weight 1.000 ! spec=HCH_al, no=2967, id=4590, vol=9.180000e+05
    or (resid   78 and name HD21) (resid   68 and name  HB2)
    or (resid   78 and name HD23) (resid   68 and name  HB2)
assign (resid 68 and name HB1) (resid 62 and name HD12) 3.255 1.324 2.824 weight 1.000 ! spec=HCH_al, no=2969, id=4592, vol=1.990000e+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 112 and name HG) (resid 111 and name HA) 2.133 0.569 2.069 weight 1.000 ! spec=HCH_al, no=2971, id=4594, vol=2.510000e+07
assign (resid 157 and name HN) (resid 156 and name HA) 1.644 0.338 1.838 weight 1.000 ! spec=HCH_al, no=2975, id=4598, vol=1.200000e+08
assign (resid 69 and name HB1) (resid 82 and name HE1) 3.830 1.833 3.333 weight 1.000 ! spec=HCH_al, no=2977, id=4600, vol=7.500000e+05
    or (resid   69 and name  HB1) (resid   82 and name  HE2)
assign (resid 70 and name HB2) (resid 69 and name HB2) 3.588 1.609 3.109 weight 1.000 ! spec=HCH_al, no=2978, id=4601, vol=1.110000e+06
    or (resid   70 and name  HB1) (resid   69 and name  HB2)
    or (resid   70 and name  HB3) (resid   69 and name  HB2)
assign (resid 70 and name HB2) (resid 69 and name HB1) 3.833 1.837 3.337 weight 1.000 ! spec=HCH_al, no=2979, id=4602, vol=7.460000e+05
    or (resid   70 and name  HB1) (resid   69 and name  HB1)
    or (resid   70 and name  HB3) (resid   69 and name  HB1)
assign (resid 157 and name HN) (resid 157 and name HG11) 2.357 0.695 2.195 weight 1.000 ! spec=HCH_al, no=2981, id=4604, vol=1.380000e+07
assign (resid 69 and name HG) (resid 70 and name HN) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=2985, id=4608, vol=1.840000e+06
assign (resid 69 and name HD22) (resid 77 and name HN) 2.976 1.107 2.607 weight 1.000 ! spec=HCH_al, no=2989, id=4612, vol=3.410000e+06
    or (resid   69 and name HD21) (resid   77 and name   HN)
    or (resid   69 and name HD23) (resid   77 and name   HN)
assign (resid 70 and name HA) (resid 70 and name HN) 2.835 1.005 2.505 weight 1.000 ! spec=HCH_al, no=2990, id=4613, vol=4.560000e+06
assign (resid 70 and name HA) (resid 71 and name HA) 3.551 1.576 3.076 weight 1.000 ! spec=HCH_al, no=2991, id=4614, vol=1.180000e+06
assign (resid 70 and name HB2) (resid 62 and name HD12) 3.213 1.291 2.791 weight 1.000 ! spec=HCH_al, no=2993, id=4616, vol=2.150000e+06
    or (resid   70 and name  HB2) (resid   62 and name HD11)
    or (resid   70 and name  HB2) (resid   62 and name HD13)
    or (resid   70 and name  HB1) (resid   62 and name HD12)
    or (resid   70 and name  HB1) (resid   62 and name HD11)
    or (resid   70 and name  HB1) (resid   62 and name HD13)
    or (resid   70 and name  HB3) (resid   62 and name HD12)
    or (resid   70 and name  HB3) (resid   62 and name HD11)
    or (resid   70 and name  HB3) (resid   62 and name HD13)
assign (resid 71 and name HA) (resid 69 and name HD22) 3.101 1.202 2.702 weight 1.000 ! spec=HCH_al, no=2995, id=4618, vol=2.660000e+06
    or (resid   71 and name   HA) (resid   69 and name HD21)
    or (resid   71 and name   HA) (resid   69 and name HD23)
assign (resid 30 and name HB1) (resid 71 and name HD22) 2.803 0.982 2.482 weight 1.000 ! spec=HCH_al, no=3001, id=4623, vol=4.880000e+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 153 and name HA) (resid 148 and name HB2) 2.823 0.996 2.496 weight 1.000 ! spec=HCH_al, no=3008, id=4630, vol=4.680000e+06
assign (resid 73 and name HA) (resid 74 and name HB2) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_al, no=3011, id=4633, vol=2.180000e+06
    or (resid   73 and name   HA) (resid   74 and name  HB1)
assign (resid 74 and name HB2) (resid 74 and name HG2) 2.124 0.564 2.064 weight 1.000 ! spec=HCH_al, no=3012, id=4634, vol=2.580000e+07
    or (resid   74 and name  HB2) (resid   74 and name  HG1)
    or (resid   74 and name  HB1) (resid   74 and name  HG2)
    or (resid   74 and name  HB1) (resid   74 and name  HG1)
assign (resid 64 and name HA) (resid 63 and name HB2) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=3015, id=4636, vol=1.670000e+06
assign (resid 31 and name HN) (resid 75 and name HB) 3.043 1.158 2.658 weight 1.000 ! spec=HCH_al, no=3016, id=4637, vol=2.980000e+06
assign (resid 76 and name HN) (resid 75 and name HB) 2.649 0.877 2.377 weight 1.000 ! spec=HCH_al, no=3017, id=4638, vol=6.850000e+06
assign (resid 75 and name HB) (resid 74 and name HN) 3.541 1.568 3.068 weight 1.000 ! spec=HCH_al, no=3018, id=4639, vol=1.200000e+06
assign (resid 75 and name HN) (resid 75 and name HB) 3.164 1.251 2.751 weight 1.000 ! spec=HCH_al, no=3019, id=4640, vol=2.360000e+06
assign (resid 32 and name HA) (resid 75 and name HB) 3.010 1.133 2.633 weight 1.000 ! spec=HCH_al, no=3020, id=4641, vol=3.180000e+06
assign (resid 75 and name HB) (resid 30 and name HB1) 2.973 1.105 2.605 weight 1.000 ! spec=HCH_al, no=3025, id=4646, vol=3.430000e+06
assign (resid 75 and name HB) (resid 71 and name HB2) 3.715 1.725 3.225 weight 1.000 ! spec=HCH_al, no=3029, id=4649, vol=9.010000e+05
assign (resid 75 and name HB) (resid 30 and name HA) 3.352 1.404 2.904 weight 1.000 ! spec=HCH_al, no=3030, id=4650, vol=1.670000e+06
assign (resid 76 and name HB2) (resid 62 and name HD12) 3.298 1.359 2.859 weight 1.000 ! spec=HCH_al, no=3040, id=4656, vol=1.840000e+06
    or (resid   76 and name  HB2) (resid   62 and name HD11)
    or (resid   76 and name  HB2) (resid   62 and name HD13)
    or (resid   76 and name  HB1) (resid   62 and name HD12)
    or (resid   76 and name  HB1) (resid   62 and name HD11)
    or (resid   76 and name  HB1) (resid   62 and name HD13)
assign (resid 77 and name HA1) (resid 77 and name HN) 3.140 1.232 2.732 weight 1.000 ! spec=HCH_al, no=3041, id=4657, vol=2.470000e+06
assign (resid 77 and name HA1) (resid 68 and name HZ) 3.561 1.585 3.085 weight 1.000 ! spec=HCH_al, no=3042, id=4658, vol=1.160000e+06
assign (resid 77 and name HA1) (resid 68 and name HD1) 3.710 1.721 3.221 weight 1.000 ! spec=HCH_al, no=3044, id=4660, vol=9.070000e+05
    or (resid   77 and name  HA1) (resid   68 and name  HD2)
assign (resid 77 and name HA1) (resid 81 and name HZ3) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_al, no=3045, id=4661, vol=2.550000e+06
assign (resid 77 and name HA1) (resid 30 and name HA) 3.639 1.655 3.155 weight 1.000 ! spec=HCH_al, no=3047, id=4663, vol=1.020000e+06
assign (resid 77 and name HA1) (resid 30 and name HB2) 3.615 1.634 3.134 weight 1.000 ! spec=HCH_al, no=3051, id=4666, vol=1.060000e+06
assign (resid 77 and name HA1) (resid 30 and name HG1) 3.807 1.811 3.311 weight 1.000 ! spec=HCH_al, no=3052, id=4667, vol=7.780000e+05
assign (resid 77 and name HA2) (resid 30 and name HG1) 3.870 1.872 3.372 weight 1.000 ! spec=HCH_al, no=3053, id=4668, vol=7.050000e+05
assign (resid 77 and name HA1) (resid 71 and name HD12) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=3054, id=4669, vol=3.360000e+06
    or (resid   77 and name  HA1) (resid   71 and name HD11)
    or (resid   77 and name  HA1) (resid   71 and name HD13)
assign (resid 77 and name HA2) (resid 69 and name HB1) 3.766 1.773 3.273 weight 1.000 ! spec=HCH_al, no=3055, id=4670, vol=8.290000e+05
assign (resid 78 and name HA) (resid 69 and name HN) 3.208 1.287 2.787 weight 1.000 ! spec=HCH_al, no=3057, id=4672, vol=2.170000e+06
assign (resid 78 and name HB1) (resid 81 and name HE1) 3.639 1.655 3.155 weight 1.000 ! spec=HCH_al, no=3058, id=4673, vol=1.020000e+06
assign (resid 80 and name HN) (resid 78 and name HB1) 3.223 1.299 2.799 weight 1.000 ! spec=HCH_al, no=3059, id=4674, vol=2.110000e+06
assign (resid 78 and name HN) (resid 78 and name HB1) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_al, no=3062, id=4677, vol=1.850000e+06
assign (resid 78 and name HB2) (resid 78 and name HG) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_al, no=3070, id=4684, vol=2.180000e+06
assign (resid 78 and name HB2) (resid 78 and name HD12) 2.721 0.926 2.426 weight 1.000 ! spec=HCH_al, no=3071, id=4685, vol=5.830000e+06
    or (resid   78 and name  HB2) (resid   78 and name HD11)
    or (resid   78 and name  HB2) (resid   78 and name HD13)
assign (resid 78 and name HN) (resid 78 and name HB2) 3.182 1.266 2.766 weight 1.000 ! spec=HCH_al, no=3072, id=4686, vol=2.280000e+06
assign (resid 78 and name HB2) (resid 78 and name HA) 3.221 1.297 2.797 weight 1.000 ! spec=HCH_al, no=3073, id=4687, vol=2.120000e+06
assign (resid 78 and name HB1) (resid 78 and name HG) 3.218 1.295 2.795 weight 1.000 ! spec=HCH_al, no=3078, id=4692, vol=2.130000e+06
assign (resid 78 and name HD22) (resid 69 and name HB1) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_al, no=3079, id=4693, vol=3.360000e+06
    or (resid   78 and name HD21) (resid   69 and name  HB1)
    or (resid   78 and name HD23) (resid   69 and name  HB1)
assign (resid 79 and name HB1) (resid 79 and name HE) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=3080, id=4694, vol=1.230000e+06
assign (resid 79 and name HB1) (resid 79 and name HB2) 2.455 0.754 2.254 weight 1.000 ! spec=HCH_al, no=3083, id=4697, vol=1.080000e+07
assign (resid 79 and name HB1) (resid 69 and name HB1) 3.355 1.407 2.907 weight 1.000 ! spec=HCH_al, no=3084, id=4698, vol=1.660000e+06
assign (resid 69 and name HD12) (resid 79 and name HB1) 3.386 1.433 2.933 weight 1.000 ! spec=HCH_al, no=3085, id=4699, vol=1.570000e+06
    or (resid   69 and name HD11) (resid   79 and name  HB1)
    or (resid   69 and name HD13) (resid   79 and name  HB1)
assign (resid 79 and name HB1) (resid 69 and name HD22) 3.527 1.555 3.055 weight 1.000 ! spec=HCH_al, no=3086, id=4700, vol=1.230000e+06
    or (resid   79 and name  HB1) (resid   69 and name HD21)
    or (resid   79 and name  HB1) (resid   69 and name HD23)
assign (resid 79 and name HG2) (resid 79 and name HE) 2.693 0.906 2.406 weight 1.000 ! spec=HCH_al, no=3088, id=4702, vol=6.210000e+06
assign (resid 72 and name HN) (resid 72 and name HA) 2.515 0.791 2.291 weight 1.000 ! spec=HCH_al, no=3092, id=4706, vol=9.350000e+06
assign (resid 80 and name HB1) (resid 80 and name HA) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_al, no=3095, id=4709, vol=1.400000e+07
assign (resid 81 and name HB2) (resid 81 and name HA) 2.660 0.885 2.385 weight 1.000 ! spec=HCH_al, no=3096, id=4710, vol=6.680000e+06
assign (resid 81 and name HB2) (resid 82 and name HN) 3.383 1.430 2.93 weight 1.000 ! spec=HCH_al, no=3098, id=4711, vol=1.580000e+06
assign (resid 82 and name HN) (resid 81 and name HB1) 3.275 1.340 2.84 weight 1.000 ! spec=HCH_al, no=3100, id=4713, vol=1.920000e+06
assign (resid 81 and name HB1) (resid 82 and name HD1) 3.477 1.511 3.011 weight 1.000 ! spec=HCH_al, no=3101, id=4714, vol=1.340000e+06
    or (resid   81 and name  HB1) (resid   82 and name  HD2)
assign (resid 81 and name HB2) (resid 82 and name HD1) 3.486 1.519 3.019 weight 1.000 ! spec=HCH_al, no=3102, id=4715, vol=1.320000e+06
    or (resid   81 and name  HB2) (resid   82 and name  HD2)
assign (resid 83 and name HB1) (resid 84 and name HD1) 3.263 1.331 2.831 weight 1.000 ! spec=HCH_al, no=3110, id=4720, vol=1.960000e+06
    or (resid   83 and name  HB1) (resid   84 and name  HD2)
assign (resid 34 and name HN) (resid 34 and name HB2) 2.314 0.670 2.17 weight 1.000 ! spec=HCH_al, no=3113, id=4722, vol=1.540000e+07
    or (resid   34 and name   HN) (resid   34 and name  HB1)
assign (resid 83 and name HD1) (resid 84 and name HE1) 3.258 1.327 2.827 weight 1.000 ! spec=HCH_al, no=3114, id=4723, vol=1.980000e+06
    or (resid   83 and name  HD1) (resid   84 and name  HE2)
assign (resid 83 and name HD2) (resid 83 and name HD1) 1.521 0.289 1.789 weight 1.000 ! spec=HCH_al, no=3115, id=4724, vol=1.910000e+08
assign (resid 84 and name HA) (resid 84 and name HN) 1.993 0.496 1.996 weight 1.000 ! spec=HCH_al, no=3117, id=4726, vol=3.780000e+07
assign (resid 165 and name HA) (resid 165 and name HB1) 2.189 0.599 2.099 weight 1.000 ! spec=HCH_al, no=3119, id=4727, vol=2.150000e+07
assign (resid 151 and name HN) (resid 150 and name HB1) 2.295 0.658 2.158 weight 1.000 ! spec=HCH_al, no=3125, id=4730, vol=1.620000e+07
assign (resid 126 and name HB1) (resid 127 and name HB1) 2.629 0.864 2.364 weight 1.000 ! spec=HCH_al, no=3140, id=4743, vol=7.170000e+06
assign (resid 148 and name HB2) (resid 154 and name HB1) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_al, no=3141, id=4744, vol=5.740000e+06
assign (resid 150 and name HB1) (resid 151 and name HA) 2.463 0.758 2.258 weight 1.000 ! spec=HCH_al, no=3158, id=4756, vol=1.060000e+07
assign (resid 112 and name HN) (resid 111 and name HB2) 2.403 0.722 2.222 weight 1.000 ! spec=HCH_al, no=3173, id=4769, vol=1.230000e+07
assign (resid 106 and name HN) (resid 108 and name HB1) 2.876 1.034 2.534 weight 1.000 ! spec=HCH_al, no=3188, id=4782, vol=4.180000e+06
assign (resid 27 and name HN) (resid 26 and name HB1) 2.687 0.902 2.402 weight 1.000 ! spec=HCH_al, no=3190, id=4784, vol=6.290000e+06
assign (resid 91 and name HN) (resid 90 and name HA) 1.932 0.467 1.967 weight 1.000 ! spec=HCH_al, no=3192, id=4786, vol=4.550000e+07
assign (resid 94 and name HN) (resid 94 and name HB) 2.518 0.792 2.292 weight 1.000 ! spec=HCH_al, no=3199, id=4792, vol=9.290000e+06
assign (resid 92 and name HN) (resid 91 and name HA) 1.843 0.425 1.925 weight 1.000 ! spec=HCH_al, no=3200, id=4793, vol=6.030000e+07
assign (resid 94 and name HA) (resid 95 and name HG22) 2.696 0.908 2.408 weight 1.000 ! spec=HCH_al, no=3203, id=4796, vol=6.170000e+06
    or (resid   94 and name   HA) (resid   95 and name HG21)
    or (resid   94 and name   HA) (resid   95 and name HG23)
assign (resid 91 and name HA) (resid 92 and name HB1) 2.971 1.104 2.604 weight 1.000 ! spec=HCH_al, no=3204, id=4797, vol=3.440000e+06
assign (resid 92 and name HN) (resid 92 and name HB2) 2.802 0.981 2.481 weight 1.000 ! spec=HCH_al, no=3210, id=4801, vol=4.890000e+06
assign (resid 114 and name HG2) (resid 114 and name HB2) 1.955 0.478 1.978 weight 1.000 ! spec=HCH_al, no=3216, id=4806, vol=4.240000e+07
    or (resid  114 and name  HG2) (resid  114 and name  HB1)
    or (resid  114 and name  HG1) (resid  114 and name  HB2)
    or (resid  114 and name  HG1) (resid  114 and name  HB1)
assign (resid 93 and name HA) (resid 94 and name HG21) 2.904 1.054 2.554 weight 1.000 ! spec=HCH_al, no=3220, id=4808, vol=3.950000e+06
    or (resid   93 and name   HA) (resid   94 and name HG22)
    or (resid   93 and name   HA) (resid   94 and name HG23)
assign (resid 5 and name HB2) (resid 6 and name HD1) 3.369 1.418 2.918 weight 1.000 ! spec=HCH_al, no=3234, id=4821, vol=1.620000e+06
    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 95 and name HA) (resid 96 and name HG2) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_al, no=3236, id=4823, vol=5.550000e+06
    or (resid   95 and name   HA) (resid   96 and name  HG1)
assign (resid 17 and name HN) (resid 17 and name HB) 2.419 0.732 2.232 weight 1.000 ! spec=HCH_al, no=3241, id=4828, vol=1.180000e+07
assign (resid 94 and name HN) (resid 93 and name HB2) 2.749 0.944 2.444 weight 1.000 ! spec=HCH_al, no=3245, id=4831, vol=5.490000e+06
assign (resid 95 and name HN) (resid 94 and name HG21) 2.279 0.649 2.149 weight 1.000 ! spec=HCH_al, no=3250, id=4835, vol=1.690000e+07
    or (resid   95 and name   HN) (resid   94 and name HG22)
    or (resid   95 and name   HN) (resid   94 and name HG23)
assign (resid 94 and name HN) (resid 94 and name HG21) 2.354 0.693 2.193 weight 1.000 ! spec=HCH_al, no=3251, id=4836, vol=1.390000e+07
    or (resid   94 and name   HN) (resid   94 and name HG22)
    or (resid   94 and name   HN) (resid   94 and name HG23)
assign (resid 106 and name HN) (resid 105 and name HA) 1.777 0.395 1.895 weight 1.000 ! spec=HCH_al, no=3252, id=4837, vol=7.520000e+07
assign (resid 105 and name HA) (resid 105 and name HB2) 1.727 0.373 1.873 weight 1.000 ! spec=HCH_al, no=3255, id=4839, vol=8.920000e+07
    or (resid  105 and name   HA) (resid  105 and name  HB1)
    or (resid  105 and name   HA) (resid  105 and name  HB3)
assign (resid 96 and name HN) (resid 95 and name HA) 1.830 0.418 1.918 weight 1.000 ! spec=HCH_al, no=3256, id=4840, vol=6.310000e+07
assign (resid 114 and name HG2) (resid 114 and name HA) 2.223 0.618 2.118 weight 1.000 ! spec=HCH_al, no=3258, id=4842, vol=1.960000e+07
    or (resid  114 and name  HG1) (resid  114 and name   HA)
assign (resid 115 and name HB2) (resid 116 and name HA) 2.963 1.097 2.597 weight 1.000 ! spec=HCH_al, no=3261, id=4844, vol=3.500000e+06
assign (resid 153 and name HB) (resid 152 and name HA) 2.935 1.077 2.577 weight 1.000 ! spec=HCH_al, no=3263, id=4846, vol=3.700000e+06
assign (resid 165 and name HA) (resid 165 and name HN) 2.413 0.728 2.228 weight 1.000 ! spec=HCH_al, no=3270, id=4852, vol=1.200000e+07
assign (resid 165 and name HN) (resid 165 and name HB2) 2.582 0.833 2.333 weight 1.000 ! spec=HCH_al, no=3272, id=4854, vol=7.990000e+06
assign (resid 165 and name HB2) (resid 165 and name HA) 2.381 0.708 2.208 weight 1.000 ! spec=HCH_al, no=3276, id=4858, vol=1.300000e+07
assign (resid 165 and name HB2) (resid 165 and name HB1) 1.507 0.284 1.784 weight 1.000 ! spec=HCH_al, no=3279, id=4860, vol=2.020000e+08
assign (resid 76 and name HE1) (resid 59 and name HD1) 3.127 1.223 2.723 weight 1.000 ! spec=HCH_ar, no=20, id=4866, vol=3.540000e+05
    or (resid   76 and name  HE1) (resid   59 and name  HD2)
assign (resid 59 and name HN) (resid 59 and name HD1) 2.585 0.835 2.335 weight 1.000 ! spec=HCH_ar, no=21, id=4867, vol=1.110000e+06
    or (resid   59 and name   HN) (resid   59 and name  HD2)
assign (resid 59 and name HD1) (resid 56 and name HN) 3.211 1.289 2.789 weight 1.000 ! spec=HCH_ar, no=22, id=4868, vol=3.020000e+05
    or (resid   59 and name  HD2) (resid   56 and name   HN)
assign (resid 59 and name HD1) (resid 33 and name HZ) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_ar, no=24, id=4870, vol=1.200000e+06
    or (resid   59 and name  HD2) (resid   33 and name   HZ)
assign (resid 56 and name HA) (resid 59 and name HD1) 2.736 0.936 2.436 weight 1.000 ! spec=HCH_ar, no=29, id=4872, vol=7.890000e+05
    or (resid   56 and name   HA) (resid   59 and name  HD2)
assign (resid 59 and name HA) (resid 59 and name HD1) 2.253 0.635 2.135 weight 1.000 ! spec=HCH_ar, no=31, id=4874, vol=2.530000e+06
    or (resid   59 and name   HA) (resid   59 and name  HD2)
assign (resid 59 and name HB2) (resid 59 and name HD1) 2.264 0.641 2.141 weight 1.000 ! spec=HCH_ar, no=32, id=4875, vol=2.460000e+06
    or (resid   59 and name  HB2) (resid   59 and name  HD2)
assign (resid 59 and name HB1) (resid 59 and name HD1) 2.272 0.645 2.145 weight 1.000 ! spec=HCH_ar, no=33, id=4876, vol=2.410000e+06
    or (resid   59 and name  HB1) (resid   59 and name  HD2)
assign (resid 56 and name HB2) (resid 59 and name HD1) 2.656 0.882 2.382 weight 1.000 ! spec=HCH_ar, no=34, id=4877, vol=9.430000e+05
    or (resid   56 and name  HB2) (resid   59 and name  HD2)
    or (resid   56 and name  HB1) (resid   59 and name  HD1)
    or (resid   56 and name  HB1) (resid   59 and name  HD2)
    or (resid   56 and name  HB3) (resid   59 and name  HD1)
    or (resid   56 and name  HB3) (resid   59 and name  HD2)
assign (resid 55 and name HG22) (resid 59 and name HD1) 2.699 0.910 2.41 weight 1.000 ! spec=HCH_ar, no=36, id=4879, vol=8.570000e+05
    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 59 and name HD1) (resid 62 and name HG) 3.348 1.401 2.901 weight 1.000 ! spec=HCH_ar, no=38, id=4881, vol=2.350000e+05
    or (resid   59 and name  HD2) (resid   62 and name   HG)
assign (resid 17 and name HN) (resid 58 and name HE1) 3.305 1.366 2.866 weight 1.000 ! spec=HCH_ar, no=40, id=4883, vol=2.540000e+05
    or (resid   17 and name   HN) (resid   58 and name  HE2)
assign (resid 20 and name HN) (resid 58 and name HE1) 3.481 1.515 3.015 weight 1.000 ! spec=HCH_ar, no=41, id=4884, vol=1.860000e+05
    or (resid   20 and name   HN) (resid   58 and name  HE2)
assign (resid 58 and name HE1) (resid 58 and name HB1) 3.448 1.486 2.986 weight 1.000 ! spec=HCH_ar, no=46, id=4888, vol=1.970000e+05
    or (resid   58 and name  HE2) (resid   58 and name  HB1)
assign (resid 58 and name HE1) (resid 62 and name HD22) 2.559 0.818 2.318 weight 1.000 ! spec=HCH_ar, no=49, id=4891, vol=1.180000e+06
    or (resid   58 and name  HE1) (resid   62 and name HD21)
    or (resid   58 and name  HE1) (resid   62 and name HD23)
    or (resid   58 and name  HE2) (resid   62 and name HD22)
    or (resid   58 and name  HE2) (resid   62 and name HD21)
    or (resid   58 and name  HE2) (resid   62 and name HD23)
assign (resid 58 and name HE1) (resid 17 and name HG22) 2.704 0.914 2.414 weight 1.000 ! spec=HCH_ar, no=52, id=4894, vol=8.470000e+05
    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 58 and name HE1) (resid 37 and name HB2) 3.215 1.292 2.792 weight 1.000 ! spec=HCH_ar, no=53, id=4895, vol=3.000000e+05
    or (resid   58 and name  HE2) (resid   37 and name  HB2)
assign (resid 37 and name HN) (resid 58 and name HE1) 3.563 1.586 3.086 weight 1.000 ! spec=HCH_ar, no=54, id=4896, vol=1.620000e+05
    or (resid   37 and name   HN) (resid   58 and name  HE2)
assign (resid 59 and name HE1) (resid 56 and name HB2) 3.239 1.311 2.811 weight 1.000 ! spec=HCH_ar, no=59, id=4901, vol=2.870000e+05
    or (resid   59 and name  HE1) (resid   56 and name  HB1)
    or (resid   59 and name  HE1) (resid   56 and name  HB3)
    or (resid   59 and name  HE2) (resid   56 and name  HB2)
    or (resid   59 and name  HE2) (resid   56 and name  HB1)
    or (resid   59 and name  HE2) (resid   56 and name  HB3)
assign (resid 59 and name HA) (resid 59 and name HE1) 2.937 1.078 2.578 weight 1.000 ! spec=HCH_ar, no=65, id=4906, vol=5.160000e+05
    or (resid   59 and name   HA) (resid   59 and name  HE2)
assign (resid 76 and name HE1) (resid 59 and name HE1) 2.718 0.924 2.424 weight 1.000 ! spec=HCH_ar, no=74, id=4914, vol=8.210000e+05
    or (resid   76 and name  HE1) (resid   59 and name  HE2)
assign (resid 6 and name HE1) (resid 19 and name HA) 3.537 1.564 3.064 weight 1.000 ! spec=HCH_ar, no=77, id=4916, vol=1.690000e+05
    or (resid    6 and name  HE2) (resid   19 and name   HA)
assign (resid 22 and name HG1) (resid 6 and name HE1) 2.622 0.859 2.359 weight 1.000 ! spec=HCH_ar, no=79, id=4918, vol=1.020000e+06
    or (resid   22 and name  HG1) (resid    6 and name  HE2)
assign (resid 6 and name HE1) (resid 3 and name HB) 2.728 0.930 2.43 weight 1.000 ! spec=HCH_ar, no=81, id=4920, vol=8.030000e+05
    or (resid    6 and name  HE2) (resid    3 and name   HB)
assign (resid 3 and name HD12) (resid 6 and name HE1) 2.398 0.719 2.219 weight 1.000 ! spec=HCH_ar, no=85, id=4924, vol=1.740000e+06
    or (resid    3 and name HD12) (resid    6 and name  HE2)
    or (resid    3 and name HD11) (resid    6 and name  HE1)
    or (resid    3 and name HD11) (resid    6 and name  HE2)
    or (resid    3 and name HD13) (resid    6 and name  HE1)
    or (resid    3 and name HD13) (resid    6 and name  HE2)
assign (resid 6 and name HE1) (resid 2 and name HA1) 3.270 1.336 2.836 weight 1.000 ! spec=HCH_ar, no=86, id=4925, vol=2.710000e+05
    or (resid    6 and name  HE2) (resid    2 and name  HA1)
assign (resid 3 and name HA) (resid 6 and name HE1) 2.343 0.686 2.186 weight 1.000 ! spec=HCH_ar, no=87, id=4926, vol=2.000000e+06
    or (resid    3 and name   HA) (resid    6 and name  HE2)
assign (resid 6 and name HE1) (resid 4 and name HN) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_ar, no=97, id=4934, vol=1.960000e+05
    or (resid    6 and name  HE2) (resid    4 and name   HN)
assign (resid 76 and name HH2) (resid 63 and name HB1) 3.457 1.494 2.994 weight 1.000 ! spec=HCH_ar, no=99, id=4936, vol=1.940000e+05
assign (resid 70 and name HB2) (resid 76 and name HH2) 2.714 0.921 2.421 weight 1.000 ! spec=HCH_ar, no=102, id=4939, vol=8.280000e+05
    or (resid   70 and name  HB1) (resid   76 and name  HH2)
    or (resid   70 and name  HB3) (resid   76 and name  HH2)
assign (resid 62 and name HB2) (resid 76 and name HH2) 3.517 1.546 3.046 weight 1.000 ! spec=HCH_ar, no=103, id=4940, vol=1.750000e+05
assign (resid 62 and name HB1) (resid 76 and name HH2) 3.445 1.484 2.984 weight 1.000 ! spec=HCH_ar, no=104, id=4941, vol=1.980000e+05
assign (resid 76 and name HH2) (resid 76 and name HE3) 3.147 1.238 2.738 weight 1.000 ! spec=HCH_ar, no=108, id=4944, vol=3.410000e+05
assign (resid 76 and name HH2) (resid 63 and name HB2) 3.848 1.851 3.351 weight 1.000 ! spec=HCH_ar, no=109, id=4945, vol=1.020000e+05
assign (resid 76 and name HH2) (resid 63 and name HD22) 3.270 1.336 2.836 weight 1.000 ! spec=HCH_ar, no=111, id=4947, vol=2.710000e+05
assign (resid 76 and name HZ3) (resid 70 and name HN) 3.373 1.422 2.922 weight 1.000 ! spec=HCH_ar, no=112, id=4948, vol=2.250000e+05
assign (resid 69 and name HN) (resid 76 and name HZ3) 3.514 1.543 3.043 weight 1.000 ! spec=HCH_ar, no=114, id=4950, vol=1.760000e+05
assign (resid 70 and name HB2) (resid 76 and name HZ3) 2.994 1.120 2.62 weight 1.000 ! spec=HCH_ar, no=116, id=4952, vol=4.600000e+05
    or (resid   70 and name  HB1) (resid   76 and name  HZ3)
    or (resid   70 and name  HB3) (resid   76 and name  HZ3)
assign (resid 62 and name HB1) (resid 76 and name HZ3) 3.295 1.357 2.857 weight 1.000 ! spec=HCH_ar, no=117, id=4953, vol=2.590000e+05
assign (resid 76 and name HZ3) (resid 69 and name HA) 3.270 1.336 2.836 weight 1.000 ! spec=HCH_ar, no=119, id=4955, vol=2.710000e+05
assign (resid 63 and name HA) (resid 76 and name HZ3) 3.030 1.148 2.648 weight 1.000 ! spec=HCH_ar, no=120, id=4956, vol=4.280000e+05
assign (resid 68 and name HB2) (resid 76 and name HZ3) 3.196 1.276 2.776 weight 1.000 ! spec=HCH_ar, no=121, id=4957, vol=3.110000e+05
assign (resid 68 and name HB1) (resid 76 and name HZ3) 3.189 1.271 2.771 weight 1.000 ! spec=HCH_ar, no=122, id=4958, vol=3.150000e+05
assign (resid 62 and name HD12) (resid 76 and name HZ3) 3.123 1.219 2.719 weight 1.000 ! spec=HCH_ar, no=127, id=4961, vol=3.570000e+05
    or (resid   62 and name HD11) (resid   76 and name  HZ3)
    or (resid   62 and name HD13) (resid   76 and name  HZ3)
assign (resid 33 and name HE1) (resid 33 and name HB1) 3.103 1.204 2.704 weight 1.000 ! spec=HCH_ar, no=133, id=4966, vol=3.710000e+05
    or (resid   33 and name  HE2) (resid   33 and name  HB1)
assign (resid 34 and name HN) (resid 33 and name HE1) 3.735 1.744 3.244 weight 1.000 ! spec=HCH_ar, no=135, id=4968, vol=1.220000e+05
    or (resid   34 and name   HN) (resid   33 and name  HE2)
assign (resid 33 and name HN) (resid 33 and name HD1) 3.481 1.515 3.015 weight 1.000 ! spec=HCH_ar, no=139, id=4972, vol=1.860000e+05
    or (resid   33 and name   HN) (resid   33 and name  HD2)
assign (resid 33 and name HD1) (resid 62 and name HG) 3.472 1.507 3.007 weight 1.000 ! spec=HCH_ar, no=146, id=4978, vol=1.890000e+05
    or (resid   33 and name  HD2) (resid   62 and name   HG)
assign (resid 33 and name HE1) (resid 37 and name HD22) 2.939 1.080 2.58 weight 1.000 ! spec=HCH_ar, no=147, id=4979, vol=5.140000e+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 33 and name HD1) (resid 37 and name HD22) 2.791 0.974 2.474 weight 1.000 ! spec=HCH_ar, no=148, id=4980, vol=7.010000e+05
    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 55 and name HG22) 3.004 1.128 2.628 weight 1.000 ! spec=HCH_ar, no=149, id=4981, vol=4.510000e+05
    or (resid   33 and name  HD1) (resid   55 and name HG21)
    or (resid   33 and name  HD1) (resid   55 and name HG23)
    or (resid   33 and name  HD2) (resid   55 and name HG22)
    or (resid   33 and name  HD2) (resid   55 and name HG21)
    or (resid   33 and name  HD2) (resid   55 and name HG23)
assign (resid 84 and name HE1) (resid 81 and name HE3) 2.538 0.805 2.305 weight 1.000 ! spec=HCH_ar, no=153, id=4985, vol=1.240000e+06
    or (resid   84 and name  HE2) (resid   81 and name  HE3)
assign (resid 82 and name HE1) (resid 79 and name HA) 2.793 0.975 2.475 weight 1.000 ! spec=HCH_ar, no=157, id=4989, vol=6.970000e+05
    or (resid   82 and name  HE2) (resid   79 and name   HA)
assign (resid 82 and name HE1) (resid 78 and name HN) 2.909 1.057 2.557 weight 1.000 ! spec=HCH_ar, no=158, id=4990, vol=5.470000e+05
    or (resid   82 and name  HE2) (resid   78 and name   HN)
assign (resid 33 and name HD1) (resid 33 and name HZ) 2.748 0.944 2.444 weight 1.000 ! spec=HCH_ar, no=179, id=5010, vol=7.690000e+05
    or (resid   33 and name  HD2) (resid   33 and name   HZ)
assign (resid 33 and name HE1) (resid 33 and name HD1) 2.061 0.531 2.031 weight 1.000 ! spec=HCH_ar, no=181, id=5011, vol=4.320000e+06
    or (resid   33 and name  HE1) (resid   33 and name  HD2)
    or (resid   33 and name  HE2) (resid   33 and name  HD1)
    or (resid   33 and name  HE2) (resid   33 and name  HD2)
assign (resid 59 and name HA) (resid 33 and name HD1) 3.292 1.355 2.855 weight 1.000 ! spec=HCH_ar, no=183, id=5013, vol=2.600000e+05
    or (resid   59 and name   HA) (resid   33 and name  HD2)
assign (resid 33 and name HD1) (resid 59 and name HD1) 3.327 1.384 2.884 weight 1.000 ! spec=HCH_ar, no=184, id=5014, vol=2.440000e+05
    or (resid   33 and name  HD1) (resid   59 and name  HD2)
    or (resid   33 and name  HD2) (resid   59 and name  HD1)
    or (resid   33 and name  HD2) (resid   59 and name  HD2)
assign (resid 81 and name HN) (resid 81 and name HD1) 2.788 0.972 2.472 weight 1.000 ! spec=HCH_ar, no=186, id=5016, vol=7.050000e+05
assign (resid 81 and name HD1) (resid 78 and name HB1) 3.481 1.515 3.015 weight 1.000 ! spec=HCH_ar, no=191, id=5019, vol=1.860000e+05
assign (resid 81 and name HD1) (resid 81 and name HE1) 2.162 0.584 2.084 weight 1.000 ! spec=HCH_ar, no=192, id=5020, vol=3.240000e+06
assign (resid 81 and name HA) (resid 81 and name HD1) 2.256 0.636 2.136 weight 1.000 ! spec=HCH_ar, no=193, id=5021, vol=2.510000e+06
assign (resid 81 and name HD1) (resid 80 and name HB2) 3.574 1.596 3.096 weight 1.000 ! spec=HCH_ar, no=194, id=5022, vol=1.590000e+05
assign (resid 81 and name HB2) (resid 81 and name HD1) 3.185 1.268 2.768 weight 1.000 ! spec=HCH_ar, no=195, id=5023, vol=3.170000e+05
assign (resid 81 and name HB1) (resid 81 and name HD1) 3.091 1.194 2.694 weight 1.000 ! spec=HCH_ar, no=196, id=5024, vol=3.800000e+05
assign (resid 76 and name HH2) (resid 76 and name HZ2) 2.034 0.517 2.017 weight 1.000 ! spec=HCH_ar, no=200, id=5027, vol=4.670000e+06
assign (resid 76 and name HZ2) (resid 63 and name HB1) 3.360 1.412 2.912 weight 1.000 ! spec=HCH_ar, no=204, id=5030, vol=2.300000e+05
assign (resid 76 and name HE1) (resid 76 and name HZ2) 2.389 0.714 2.214 weight 1.000 ! spec=HCH_ar, no=205, id=5031, vol=1.780000e+06
assign (resid 76 and name HZ2) (resid 59 and name HD1) 3.058 1.169 2.669 weight 1.000 ! spec=HCH_ar, no=209, id=5035, vol=4.050000e+05
    or (resid   76 and name  HZ2) (resid   59 and name  HD2)
assign (resid 76 and name HZ2) (resid 63 and name HA) 3.025 1.144 2.644 weight 1.000 ! spec=HCH_ar, no=210, id=5036, vol=4.320000e+05
assign (resid 76 and name HZ2) (resid 63 and name HD22) 2.669 0.890 2.39 weight 1.000 ! spec=HCH_ar, no=211, id=5037, vol=9.170000e+05
assign (resid 21 and name HN) (resid 68 and name HE1) 3.085 1.190 2.69 weight 1.000 ! spec=HCH_ar, no=212, id=5038, vol=3.840000e+05
    or (resid   21 and name   HN) (resid   68 and name  HE2)
assign (resid 68 and name HE1) (resid 17 and name HG22) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_ar, no=217, id=5042, vol=1.870000e+06
    or (resid   68 and name  HE1) (resid   17 and name HG21)
    or (resid   68 and name  HE1) (resid   17 and name HG23)
    or (resid   68 and name  HE1) (resid   17 and name HG12)
    or (resid   68 and name  HE1) (resid   17 and name HG11)
    or (resid   68 and name  HE1) (resid   17 and name HG13)
    or (resid   68 and name  HE2) (resid   17 and name HG22)
    or (resid   68 and name  HE2) (resid   17 and name HG21)
    or (resid   68 and name  HE2) (resid   17 and name HG23)
    or (resid   68 and name  HE2) (resid   17 and name HG12)
    or (resid   68 and name  HE2) (resid   17 and name HG11)
    or (resid   68 and name  HE2) (resid   17 and name HG13)
assign (resid 68 and name HE1) (resid 68 and name HZ) 2.398 0.719 2.219 weight 1.000 ! spec=HCH_ar, no=218, id=5043, vol=1.740000e+06
    or (resid   68 and name  HE2) (resid   68 and name   HZ)
assign (resid 68 and name HE1) (resid 68 and name HD1) 2.229 0.621 2.121 weight 1.000 ! spec=HCH_ar, no=220, id=5045, vol=2.700000e+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 68 and name HE1) (resid 21 and name HD2) 3.217 1.293 2.793 weight 1.000 ! spec=HCH_ar, no=223, id=5047, vol=2.990000e+05
    or (resid   68 and name  HE2) (resid   21 and name  HD2)
assign (resid 68 and name HE1) (resid 24 and name HB1) 3.141 1.233 2.733 weight 1.000 ! spec=HCH_ar, no=224, id=5048, vol=3.450000e+05
    or (resid   68 and name  HE2) (resid   24 and name  HB1)
assign (resid 21 and name HB1) (resid 68 and name HE1) 2.907 1.056 2.556 weight 1.000 ! spec=HCH_ar, no=226, id=5050, vol=5.490000e+05
    or (resid   21 and name  HB1) (resid   68 and name  HE2)
assign (resid 21 and name HA) (resid 68 and name HE1) 2.786 0.970 2.47 weight 1.000 ! spec=HCH_ar, no=229, id=5053, vol=7.080000e+05
    or (resid   21 and name   HA) (resid   68 and name  HE2)
assign (resid 17 and name HN) (resid 58 and name HD1) 2.839 1.007 2.507 weight 1.000 ! spec=HCH_ar, no=246, id=5060, vol=6.330000e+05
    or (resid   17 and name   HN) (resid   58 and name  HD2)
assign (resid 58 and name HD1) (resid 37 and name HD22) 2.214 0.613 2.113 weight 1.000 ! spec=HCH_ar, no=249, id=5063, vol=2.810000e+06
    or (resid   58 and name  HD1) (resid   37 and name HD21)
    or (resid   58 and name  HD1) (resid   37 and name HD23)
    or (resid   58 and name  HD1) (resid   37 and name HD12)
    or (resid   58 and name  HD1) (resid   37 and name HD11)
    or (resid   58 and name  HD1) (resid   37 and name HD13)
    or (resid   58 and name  HD2) (resid   37 and name HD22)
    or (resid   58 and name  HD2) (resid   37 and name HD21)
    or (resid   58 and name  HD2) (resid   37 and name HD23)
    or (resid   58 and name  HD2) (resid   37 and name HD12)
    or (resid   58 and name  HD2) (resid   37 and name HD11)
    or (resid   58 and name  HD2) (resid   37 and name HD13)
assign (resid 16 and name HD12) (resid 58 and name HD1) 2.370 0.702 2.202 weight 1.000 ! spec=HCH_ar, no=250, id=5064, vol=1.870000e+06
    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 16 and name HB2) (resid 58 and name HD1) 2.570 0.825 2.325 weight 1.000 ! spec=HCH_ar, no=252, id=5066, vol=1.150000e+06
    or (resid   16 and name  HB2) (resid   58 and name  HD2)
assign (resid 58 and name HE1) (resid 58 and name HD1) 1.936 0.469 1.969 weight 1.000 ! spec=HCH_ar, no=253, id=5067, vol=6.280000e+06
    or (resid   58 and name  HE1) (resid   58 and name  HD2)
    or (resid   58 and name  HE2) (resid   58 and name  HD1)
    or (resid   58 and name  HE2) (resid   58 and name  HD2)
assign (resid 62 and name HD22) (resid 58 and name HD1) 2.581 0.833 2.333 weight 1.000 ! spec=HCH_ar, no=255, id=5068, vol=1.120000e+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 17 and name HA) (resid 58 and name HD1) 2.593 0.840 2.34 weight 1.000 ! spec=HCH_ar, no=256, id=5069, vol=1.090000e+06
    or (resid   17 and name   HA) (resid   58 and name  HD2)
assign (resid 55 and name HA) (resid 58 and name HD1) 2.566 0.823 2.323 weight 1.000 ! spec=HCH_ar, no=257, id=5070, vol=1.160000e+06
    or (resid   55 and name   HA) (resid   58 and name  HD2)
assign (resid 58 and name HA) (resid 58 and name HD1) 2.264 0.641 2.141 weight 1.000 ! spec=HCH_ar, no=259, id=5072, vol=2.460000e+06
    or (resid   58 and name   HA) (resid   58 and name  HD2)
assign (resid 11 and name HD22) (resid 6 and name HD1) 2.175 0.591 2.091 weight 1.000 ! spec=HCH_ar, no=260, id=5073, vol=3.130000e+06
    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 10 and name HB1) (resid 6 and name HD1) 2.351 0.691 2.191 weight 1.000 ! spec=HCH_ar, no=262, id=5075, vol=1.960000e+06
    or (resid   10 and name  HB1) (resid    6 and name  HD2)
assign (resid 6 and name HD1) (resid 6 and name HA) 2.193 0.601 2.101 weight 1.000 ! spec=HCH_ar, no=265, id=5078, vol=2.980000e+06
    or (resid    6 and name  HD2) (resid    6 and name   HA)
assign (resid 3 and name HA) (resid 6 and name HD1) 2.068 0.535 2.035 weight 1.000 ! spec=HCH_ar, no=267, id=5080, vol=4.230000e+06
    or (resid    3 and name   HA) (resid    6 and name  HD2)
assign (resid 7 and name HN) (resid 6 and name HD1) 2.548 0.812 2.312 weight 1.000 ! spec=HCH_ar, no=269, id=5082, vol=1.210000e+06
    or (resid    7 and name   HN) (resid    6 and name  HD2)
assign (resid 3 and name HN) (resid 6 and name HD1) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_ar, no=270, id=5083, vol=3.050000e+05
    or (resid    3 and name   HN) (resid    6 and name  HD2)
assign (resid 10 and name HB2) (resid 6 and name HD1) 2.552 0.814 2.314 weight 1.000 ! spec=HCH_ar, no=273, id=5086, vol=1.200000e+06
    or (resid   10 and name  HB2) (resid    6 and name  HD2)
assign (resid 6 and name HB1) (resid 6 and name HD1) 2.177 0.592 2.092 weight 1.000 ! spec=HCH_ar, no=274, id=5087, vol=3.110000e+06
    or (resid    6 and name  HB1) (resid    6 and name  HD2)
assign (resid 6 and name HB2) (resid 6 and name HD1) 1.933 0.467 1.967 weight 1.000 ! spec=HCH_ar, no=276, id=5089, vol=6.340000e+06
    or (resid    6 and name  HB2) (resid    6 and name  HD2)
assign (resid 5 and name HN) (resid 6 and name HD1) 2.634 0.867 2.367 weight 1.000 ! spec=HCH_ar, no=277, id=5090, vol=9.920000e+05
    or (resid    5 and name   HN) (resid    6 and name  HD2)
assign (resid 69 and name HB1) (resid 82 and name HD1) 3.006 1.129 2.629 weight 1.000 ! spec=HCH_ar, no=283, id=5095, vol=4.490000e+05
    or (resid   69 and name  HB1) (resid   82 and name  HD2)
assign (resid 69 and name HD22) (resid 82 and name HD1) 2.306 0.665 2.165 weight 1.000 ! spec=HCH_ar, no=284, id=5096, vol=2.200000e+06
    or (resid   69 and name HD22) (resid   82 and name  HD2)
    or (resid   69 and name HD21) (resid   82 and name  HD1)
    or (resid   69 and name HD21) (resid   82 and name  HD2)
    or (resid   69 and name HD23) (resid   82 and name  HD1)
    or (resid   69 and name HD23) (resid   82 and name  HD2)
assign (resid 82 and name HB1) (resid 82 and name HD1) 2.160 0.583 2.083 weight 1.000 ! spec=HCH_ar, no=285, id=5097, vol=3.260000e+06
    or (resid   82 and name  HB1) (resid   82 and name  HD2)
assign (resid 83 and name HD1) (resid 82 and name HD1) 2.481 0.769 2.269 weight 1.000 ! spec=HCH_ar, no=286, id=5098, vol=1.420000e+06
    or (resid   83 and name  HD1) (resid   82 and name  HD2)
assign (resid 79 and name HA) (resid 82 and name HD1) 2.524 0.797 2.297 weight 1.000 ! spec=HCH_ar, no=287, id=5099, vol=1.280000e+06
    or (resid   79 and name   HA) (resid   82 and name  HD2)
assign (resid 82 and name HN) (resid 82 and name HD1) 2.319 0.672 2.172 weight 1.000 ! spec=HCH_ar, no=288, id=5100, vol=2.130000e+06
    or (resid   82 and name   HN) (resid   82 and name  HD2)
assign (resid 82 and name HA) (resid 82 and name HD1) 2.303 0.663 2.163 weight 1.000 ! spec=HCH_ar, no=291, id=5102, vol=2.220000e+06
    or (resid   82 and name   HA) (resid   82 and name  HD2)
assign (resid 33 and name HZ) (resid 56 and name HB2) 3.510 1.540 3.04 weight 1.000 ! spec=HCH_ar, no=293, id=5104, vol=1.770000e+05
    or (resid   33 and name   HZ) (resid   56 and name  HB1)
    or (resid   33 and name   HZ) (resid   56 and name  HB3)
assign (resid 55 and name HA) (resid 33 and name HZ) 3.100 1.201 2.701 weight 1.000 ! spec=HCH_ar, no=294, id=5105, vol=3.730000e+05
assign (resid 59 and name HA) (resid 33 and name HZ) 2.897 1.049 2.549 weight 1.000 ! spec=HCH_ar, no=295, id=5106, vol=5.600000e+05
assign (resid 33 and name HZ) (resid 56 and name HA) 3.412 1.455 2.955 weight 1.000 ! spec=HCH_ar, no=296, id=5107, vol=2.100000e+05
assign (resid 59 and name HN) (resid 33 and name HZ) 2.955 1.092 2.592 weight 1.000 ! spec=HCH_ar, no=298, id=5108, vol=4.970000e+05
assign (resid 33 and name HZ) (resid 62 and name HN) 3.705 1.716 3.216 weight 1.000 ! spec=HCH_ar, no=299, id=5109, vol=1.280000e+05
assign (resid 62 and name HD22) (resid 33 and name HZ) 2.933 1.075 2.575 weight 1.000 ! spec=HCH_ar, no=302, id=5112, vol=5.200000e+05
    or (resid   62 and name HD21) (resid   33 and name   HZ)
    or (resid   62 and name HD23) (resid   33 and name   HZ)
assign (resid 33 and name HE1) (resid 33 and name HZ) 2.200 0.605 2.105 weight 1.000 ! spec=HCH_ar, no=305, id=5114, vol=2.920000e+06
    or (resid   33 and name  HE2) (resid   33 and name   HZ)
assign (resid 55 and name HB) (resid 33 and name HZ) 3.559 1.583 3.083 weight 1.000 ! spec=HCH_ar, no=307, id=5116, vol=1.630000e+05
assign (resid 81 and name HH2) (resid 30 and name HB2) 3.391 1.437 2.937 weight 1.000 ! spec=HCH_ar, no=309, id=5118, vol=2.180000e+05
assign (resid 32 and name HA) (resid 76 and name HD1) 2.808 0.985 2.485 weight 1.000 ! spec=HCH_ar, no=310, id=5119, vol=6.760000e+05
assign (resid 76 and name HN) (resid 76 and name HD1) 2.819 0.993 2.493 weight 1.000 ! spec=HCH_ar, no=312, id=5121, vol=6.600000e+05
assign (resid 31 and name HN) (resid 81 and name HH2) 3.672 1.686 3.186 weight 1.000 ! spec=HCH_ar, no=313, id=5122, vol=1.350000e+05
assign (resid 28 and name HN) (resid 81 and name HH2) 3.504 1.535 3.035 weight 1.000 ! spec=HCH_ar, no=314, id=5123, vol=1.790000e+05
assign (resid 76 and name HE1) (resid 76 and name HD1) 2.204 0.607 2.107 weight 1.000 ! spec=HCH_ar, no=315, id=5124, vol=2.890000e+06
assign (resid 33 and name HN) (resid 76 and name HD1) 2.678 0.896 2.396 weight 1.000 ! spec=HCH_ar, no=316, id=5125, vol=8.980000e+05
assign (resid 34 and name HN) (resid 76 and name HD1) 3.318 1.377 2.877 weight 1.000 ! spec=HCH_ar, no=317, id=5126, vol=2.480000e+05
assign (resid 33 and name HB2) (resid 76 and name HD1) 2.744 0.941 2.441 weight 1.000 ! spec=HCH_ar, no=318, id=5127, vol=7.760000e+05
assign (resid 76 and name HD1) (resid 76 and name HB2) 2.655 0.881 2.381 weight 1.000 ! spec=HCH_ar, no=319, id=5128, vol=9.450000e+05
    or (resid   76 and name  HD1) (resid   76 and name  HB1)
assign (resid 33 and name HA) (resid 76 and name HD1) 2.691 0.905 2.405 weight 1.000 ! spec=HCH_ar, no=320, id=5129, vol=8.720000e+05
assign (resid 81 and name HH2) (resid 81 and name HZ3) 2.630 0.865 2.365 weight 1.000 ! spec=HCH_ar, no=324, id=5132, vol=1.000000e+06
assign (resid 81 and name HH2) (resid 81 and name HZ2) 2.518 0.792 2.292 weight 1.000 ! spec=HCH_ar, no=326, id=5133, vol=1.300000e+06
assign (resid 76 and name HD1) (resid 36 and name HD22) 2.946 1.085 2.585 weight 1.000 ! spec=HCH_ar, no=327, id=5134, vol=5.070000e+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 78 and name HD12) (resid 81 and name HH2) 3.109 1.208 2.708 weight 1.000 ! spec=HCH_ar, no=328, id=5135, vol=3.670000e+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 76 and name HD1) (resid 70 and name HB2) 3.206 1.285 2.785 weight 1.000 ! spec=HCH_ar, no=329, id=5136, vol=3.050000e+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 25 and name HN) (resid 81 and name HH2) 3.534 1.561 3.061 weight 1.000 ! spec=HCH_ar, no=332, id=5139, vol=1.700000e+05
assign (resid 81 and name HH2) (resid 24 and name HA) 3.054 1.166 2.666 weight 1.000 ! spec=HCH_ar, no=336, id=5143, vol=4.080000e+05
assign (resid 81 and name HH2) (resid 30 and name HD1) 3.071 1.179 2.679 weight 1.000 ! spec=HCH_ar, no=337, id=5144, vol=3.950000e+05
assign (resid 81 and name HH2) (resid 24 and name HB2) 2.834 1.004 2.504 weight 1.000 ! spec=HCH_ar, no=338, id=5145, vol=6.390000e+05
assign (resid 81 and name HH2) (resid 30 and name HG1) 3.233 1.307 2.807 weight 1.000 ! spec=HCH_ar, no=339, id=5146, vol=2.900000e+05
assign (resid 81 and name HE1) (resid 81 and name HH2) 3.534 1.561 3.061 weight 1.000 ! spec=HCH_ar, no=340, id=5147, vol=1.700000e+05
assign (resid 68 and name HD1) (resid 62 and name HB1) 3.451 1.489 2.989 weight 1.000 ! spec=HCH_ar, no=344, id=5151, vol=1.960000e+05
    or (resid   68 and name  HD2) (resid   62 and name  HB1)
assign (resid 78 and name HD12) (resid 68 and name HD1) 3.312 1.371 2.871 weight 1.000 ! spec=HCH_ar, no=347, id=5154, vol=2.510000e+05
    or (resid   78 and name HD12) (resid   68 and name  HD2)
    or (resid   78 and name HD11) (resid   68 and name  HD1)
    or (resid   78 and name HD11) (resid   68 and name  HD2)
    or (resid   78 and name HD13) (resid   68 and name  HD1)
    or (resid   78 and name HD13) (resid   68 and name  HD2)
assign (resid 68 and name HB2) (resid 68 and name HD1) 2.425 0.735 2.235 weight 1.000 ! spec=HCH_ar, no=348, id=5155, vol=1.630000e+06
    or (resid   68 and name  HB2) (resid   68 and name  HD2)
assign (resid 65 and name HB1) (resid 68 and name HD1) 2.690 0.905 2.405 weight 1.000 ! spec=HCH_ar, no=350, id=5157, vol=8.740000e+05
    or (resid   65 and name  HB1) (resid   68 and name  HD2)
assign (resid 68 and name HD1) (resid 20 and name HA) 3.854 1.857 3.357 weight 1.000 ! spec=HCH_ar, no=351, id=5158, vol=1.010000e+05
    or (resid   68 and name  HD2) (resid   20 and name   HA)
assign (resid 68 and name HD1) (resid 21 and name HA) 2.949 1.087 2.587 weight 1.000 ! spec=HCH_ar, no=352, id=5159, vol=5.030000e+05
    or (resid   68 and name  HD2) (resid   21 and name   HA)
assign (resid 68 and name HD1) (resid 20 and name HB2) 3.083 1.188 2.688 weight 1.000 ! spec=HCH_ar, no=354, id=5161, vol=3.860000e+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) 2.605 0.848 2.348 weight 1.000 ! spec=HCH_ar, no=355, id=5162, vol=1.060000e+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 17 and name HB) 3.420 1.462 2.962 weight 1.000 ! spec=HCH_ar, no=357, id=5164, vol=2.070000e+05
    or (resid   68 and name  HD2) (resid   17 and name   HB)
assign (resid 78 and name HA) (resid 68 and name HD1) 2.812 0.988 2.488 weight 1.000 ! spec=HCH_ar, no=358, id=5165, vol=6.700000e+05
    or (resid   78 and name   HA) (resid   68 and name  HD2)
assign (resid 67 and name HN) (resid 68 and name HD1) 2.945 1.084 2.584 weight 1.000 ! spec=HCH_ar, no=359, id=5166, vol=5.080000e+05
    or (resid   67 and name   HN) (resid   68 and name  HD2)
assign (resid 68 and name HD1) (resid 77 and name HN) 3.272 1.338 2.838 weight 1.000 ! spec=HCH_ar, no=361, id=5168, vol=2.700000e+05
    or (resid   68 and name  HD2) (resid   77 and name   HN)
assign (resid 68 and name HA) (resid 68 and name HD1) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_ar, no=364, id=5170, vol=1.080000e+06
    or (resid   68 and name   HA) (resid   68 and name  HD2)
assign (resid 76 and name HE3) (resid 62 and name HB2) 3.589 1.610 3.11 weight 1.000 ! spec=HCH_ar, no=372, id=5171, vol=1.550000e+05
assign (resid 68 and name HB2) (resid 76 and name HE3) 2.848 1.014 2.514 weight 1.000 ! spec=HCH_ar, no=375, id=5174, vol=6.200000e+05
assign (resid 76 and name HB2) (resid 76 and name HE3) 2.487 0.773 2.273 weight 1.000 ! spec=HCH_ar, no=376, id=5175, vol=1.400000e+06
    or (resid   76 and name  HB1) (resid   76 and name  HE3)
assign (resid 76 and name HE3) (resid 70 and name HN) 3.305 1.366 2.866 weight 1.000 ! spec=HCH_ar, no=377, id=5176, vol=2.540000e+05
assign (resid 76 and name HE3) (resid 77 and name HN) 2.983 1.112 2.612 weight 1.000 ! spec=HCH_ar, no=378, id=5177, vol=4.700000e+05
assign (resid 69 and name HN) (resid 76 and name HE3) 2.963 1.098 2.598 weight 1.000 ! spec=HCH_ar, no=379, id=5178, vol=4.890000e+05
assign (resid 76 and name HZ3) (resid 76 and name HE3) 2.470 0.762 2.262 weight 1.000 ! spec=HCH_ar, no=380, id=5179, vol=1.460000e+06
assign (resid 76 and name HE3) (resid 69 and name HB1) 3.478 1.512 3.012 weight 1.000 ! spec=HCH_ar, no=382, id=5180, vol=1.870000e+05
assign (resid 76 and name HA) (resid 76 and name HE3) 2.958 1.094 2.594 weight 1.000 ! spec=HCH_ar, no=385, id=5182, vol=4.940000e+05
assign (resid 20 and name HB2) (resid 24 and name HD1) 3.274 1.340 2.84 weight 1.000 ! spec=HCH_ar, no=387, id=5184, vol=2.690000e+05
    or (resid   20 and name  HB2) (resid   24 and name  HD2)
    or (resid   20 and name  HB1) (resid   24 and name  HD1)
    or (resid   20 and name  HB1) (resid   24 and name  HD2)
    or (resid   20 and name  HB3) (resid   24 and name  HD1)
    or (resid   20 and name  HB3) (resid   24 and name  HD2)
assign (resid 21 and name HB1) (resid 24 and name HD1) 3.174 1.259 2.759 weight 1.000 ! spec=HCH_ar, no=388, id=5185, vol=3.240000e+05
    or (resid   21 and name  HB1) (resid   24 and name  HD2)
assign (resid 24 and name HD1) (resid 23 and name HD22) 2.994 1.120 2.62 weight 1.000 ! spec=HCH_ar, no=394, id=5191, vol=4.600000e+05
    or (resid   24 and name  HD1) (resid   23 and name HD21)
    or (resid   24 and name  HD1) (resid   23 and name HD23)
    or (resid   24 and name  HD2) (resid   23 and name HD22)
    or (resid   24 and name  HD2) (resid   23 and name HD21)
    or (resid   24 and name  HD2) (resid   23 and name HD23)
assign (resid 68 and name HZ) (resid 23 and name HB2) 3.440 1.479 2.979 weight 1.000 ! spec=HCH_ar, no=399, id=5196, vol=2.000000e+05
assign (resid 24 and name HN) (resid 68 and name HZ) 3.133 1.227 2.727 weight 1.000 ! spec=HCH_ar, no=401, id=5198, vol=3.500000e+05
assign (resid 68 and name HZ) (resid 23 and name HD22) 2.597 0.843 2.343 weight 1.000 ! spec=HCH_ar, no=407, id=5204, vol=1.080000e+06
    or (resid   68 and name   HZ) (resid   23 and name HD21)
    or (resid   68 and name   HZ) (resid   23 and name HD23)
assign (resid 21 and name HA) (resid 68 and name HZ) 2.915 1.062 2.562 weight 1.000 ! spec=HCH_ar, no=408, id=5205, vol=5.400000e+05
assign (resid 21 and name HB1) (resid 68 and name HZ) 3.119 1.216 2.716 weight 1.000 ! spec=HCH_ar, no=411, id=5208, vol=3.600000e+05
assign (resid 68 and name HZ) (resid 24 and name HB1) 3.026 1.145 2.645 weight 1.000 ! spec=HCH_ar, no=413, id=5210, vol=4.310000e+05
assign (resid 81 and name HZ2) (resid 81 and name HZ3) 3.222 1.298 2.798 weight 1.000 ! spec=HCH_ar, no=422, id=5217, vol=2.960000e+05
assign (resid 81 and name HD1) (resid 81 and name HZ2) 3.637 1.654 3.154 weight 1.000 ! spec=HCH_ar, no=423, id=5218, vol=1.430000e+05
assign (resid 81 and name HZ2) (resid 25 and name HN) 3.368 1.418 2.918 weight 1.000 ! spec=HCH_ar, no=424, id=5219, vol=2.270000e+05
assign (resid 81 and name HZ2) (resid 24 and name HN) 3.466 1.502 3.002 weight 1.000 ! spec=HCH_ar, no=425, id=5220, vol=1.910000e+05
assign (resid 28 and name HN) (resid 81 and name HZ2) 3.159 1.248 2.748 weight 1.000 ! spec=HCH_ar, no=426, id=5221, vol=3.330000e+05
assign (resid 81 and name HZ2) (resid 24 and name HA) 3.083 1.188 2.688 weight 1.000 ! spec=HCH_ar, no=427, id=5222, vol=3.860000e+05
assign (resid 25 and name HA) (resid 81 and name HZ2) 3.093 1.196 2.696 weight 1.000 ! spec=HCH_ar, no=428, id=5223, vol=3.780000e+05
assign (resid 81 and name HZ2) (resid 78 and name HD22) 3.199 1.279 2.779 weight 1.000 ! spec=HCH_ar, no=430, id=5225, vol=3.090000e+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 28 and name HG2) (resid 81 and name HZ2) 3.197 1.278 2.778 weight 1.000 ! spec=HCH_ar, no=432, id=5227, vol=3.100000e+05
    or (resid   28 and name  HG1) (resid   81 and name  HZ2)
assign (resid 81 and name HZ2) (resid 25 and name HB2) 3.365 1.416 2.916 weight 1.000 ! spec=HCH_ar, no=434, id=5228, vol=2.280000e+05
    or (resid   81 and name  HZ2) (resid   25 and name  HB1)
assign (resid 24 and name HB2) (resid 81 and name HZ2) 2.962 1.097 2.597 weight 1.000 ! spec=HCH_ar, no=437, id=5231, vol=4.900000e+05
assign (resid 81 and name HZ2) (resid 81 and name HE1) 2.683 0.900 2.4 weight 1.000 ! spec=HCH_ar, no=438, id=5232, vol=8.880000e+05
assign (resid 81 and name HB2) (resid 81 and name HE3) 3.368 1.418 2.918 weight 1.000 ! spec=HCH_ar, no=440, id=5234, vol=2.270000e+05
assign (resid 30 and name HG2) (resid 81 and name HE3) 3.777 1.784 3.284 weight 1.000 ! spec=HCH_ar, no=441, id=5235, vol=1.140000e+05
assign (resid 81 and name HZ3) (resid 81 and name HE3) 2.696 0.909 2.409 weight 1.000 ! spec=HCH_ar, no=443, id=5236, vol=8.620000e+05
assign (resid 81 and name HE3) (resid 77 and name HA2) 3.520 1.549 3.049 weight 1.000 ! spec=HCH_ar, no=445, id=5238, vol=1.740000e+05
assign (resid 81 and name HE3) (resid 30 and name HD1) 3.559 1.583 3.083 weight 1.000 ! spec=HCH_ar, no=446, id=5239, vol=1.630000e+05
assign (resid 82 and name HE1) (resid 82 and name HD1) 1.692 0.358 1.858 weight 1.000 ! spec=HCH_ar, no=466, id=5240, vol=1.410000e+07
    or (resid   82 and name  HE1) (resid   82 and name  HD2)
    or (resid   82 and name  HE2) (resid   82 and name  HD1)
    or (resid   82 and name  HE2) (resid   82 and name  HD2)
assign (resid 34 and name HN) (resid 37 and name HB1) 3.862 1.864 3.364 weight 1.000 ! spec=HNH, no=4, id=3, vol=4.580000e+05
assign (resid 34 and name HN) (resid 37 and name HB2) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=5, id=4, vol=5.070000e+05
assign (resid 34 and name HN) (resid 36 and name HB2) 4.131 2.133 3.633 weight 1.000 ! spec=HNH, no=6, id=5, vol=3.060000e+05
assign (resid 34 and name HN) (resid 35 and name HG1) 3.615 1.634 3.134 weight 1.000 ! spec=HNH, no=7, id=6, vol=6.810000e+05
assign (resid 34 and name HN) (resid 33 and name HB2) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=11, id=10, vol=1.370000e+06
assign (resid 34 and name HN) (resid 32 and name HD1) 3.684 1.696 3.196 weight 1.000 ! spec=HNH, no=13, id=12, vol=6.080000e+05
assign (resid 34 and name HN) (resid 32 and name HA) 3.582 1.604 3.104 weight 1.000 ! spec=HNH, no=16, id=15, vol=7.190000e+05
assign (resid 34 and name HN) (resid 59 and name HE1) 4.264 2.272 3.772 weight 1.000 ! spec=HNH, no=17, id=16, vol=2.530000e+05
    or (resid   34 and name   HN) (resid   59 and name  HE2)
assign (resid 34 and name HN) (resid 35 and name HN) 2.773 0.961 2.461 weight 1.000 ! spec=HNH, no=18, id=17, vol=3.340000e+06
assign (resid 34 and name HN) (resid 33 and name HD1) 3.308 1.368 2.868 weight 1.000 ! spec=HNH, no=19, id=18, vol=1.160000e+06
    or (resid   34 and name   HN) (resid   33 and name  HD2)
assign (resid 34 and name HN) (resid 37 and name HN) 4.002 2.002 3.502 weight 1.000 ! spec=HNH, no=23, id=22, vol=3.700000e+05
assign (resid 34 and name HN) (resid 33 and name HN) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=25, id=23, vol=2.130000e+06
assign (resid 33 and name HN) (resid 35 and name HN) 3.740 1.749 3.249 weight 1.000 ! spec=HNH, no=32, id=28, vol=5.550000e+05
assign (resid 33 and name HN) (resid 75 and name HA) 3.502 1.533 3.033 weight 1.000 ! spec=HNH, no=36, id=32, vol=8.240000e+05
assign (resid 33 and name HN) (resid 75 and name HB) 3.982 1.982 3.482 weight 1.000 ! spec=HNH, no=39, id=35, vol=3.810000e+05
assign (resid 33 and name HN) (resid 34 and name HA) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=40, id=36, vol=4.700000e+05
assign (resid 33 and name HN) (resid 34 and name HG1) 4.073 2.073 3.573 weight 1.000 ! spec=HNH, no=44, id=40, vol=3.330000e+05
assign (resid 33 and name HN) (resid 74 and name HB2) 3.802 1.807 3.307 weight 1.000 ! spec=HNH, no=45, id=41, vol=5.030000e+05
    or (resid   33 and name   HN) (resid   74 and name  HB1)
assign (resid 33 and name HN) (resid 31 and name HB) 3.772 1.778 3.278 weight 1.000 ! spec=HNH, no=48, id=44, vol=5.280000e+05
assign (resid 33 and name HN) (resid 36 and name HD22) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=50, id=46, vol=3.890000e+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 HE3) 4.104 2.106 3.606 weight 1.000 ! spec=HNH, no=56, id=51, vol=3.180000e+05
assign (resid 76 and name HE1) (resid 33 and name HD1) 3.122 1.219 2.719 weight 1.000 ! spec=HNH, no=59, id=54, vol=1.640000e+06
    or (resid   76 and name  HE1) (resid   33 and name  HD2)
assign (resid 76 and name HE1) (resid 33 and name HE1) 3.271 1.338 2.838 weight 1.000 ! spec=HNH, no=60, id=55, vol=1.240000e+06
    or (resid   76 and name  HE1) (resid   33 and name  HE2)
assign (resid 76 and name HE1) (resid 63 and name HD22) 4.500 2.531 4.031 weight 1.000 ! spec=HNH, no=63, id=58, vol=1.830000e+05
assign (resid 76 and name HE1) (resid 32 and name HA) 4.335 2.349 3.849 weight 1.000 ! spec=HNH, no=64, id=59, vol=2.290000e+05
assign (resid 76 and name HE1) (resid 76 and name HA) 4.215 2.221 3.721 weight 1.000 ! spec=HNH, no=65, id=60, vol=2.710000e+05
assign (resid 76 and name HE1) (resid 75 and name HA) 3.879 1.881 3.381 weight 1.000 ! spec=HNH, no=68, id=63, vol=4.460000e+05
assign (resid 76 and name HE1) (resid 33 and name HB2) 2.985 1.114 2.614 weight 1.000 ! spec=HNH, no=71, id=66, vol=2.150000e+06
assign (resid 76 and name HE1) (resid 33 and name HB1) 3.107 1.207 2.707 weight 1.000 ! spec=HNH, no=73, id=68, vol=1.690000e+06
assign (resid 76 and name HE1) (resid 74 and name HB2) 3.921 1.922 3.422 weight 1.000 ! spec=HNH, no=74, id=69, vol=4.180000e+05
    or (resid   76 and name  HE1) (resid   74 and name  HB1)
assign (resid 76 and name HE1) (resid 74 and name HG2) 4.124 2.126 3.626 weight 1.000 ! spec=HNH, no=75, id=70, vol=3.090000e+05
    or (resid   76 and name  HE1) (resid   74 and name  HG1)
assign (resid 76 and name HE1) (resid 36 and name HD22) 3.848 1.851 3.351 weight 1.000 ! spec=HNH, no=76, id=71, vol=4.680000e+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 33 and name HN) 3.233 1.307 2.807 weight 1.000 ! spec=HNH, no=81, id=75, vol=1.330000e+06
assign (resid 76 and name HE1) (resid 75 and name HG21) 4.011 2.011 3.511 weight 1.000 ! spec=HNH, no=82, id=76, vol=3.650000e+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 38 and name HD22) (resid 34 and name HE21) 2.645 0.874 2.374 weight 1.000 ! spec=HNH, no=105, id=77, vol=4.440000e+06
assign (resid 38 and name HD21) (resid 35 and name HA) 3.023 1.143 2.643 weight 1.000 ! spec=HNH, no=129, id=84, vol=1.990000e+06
assign (resid 38 and name HD21) (resid 35 and name HG1) 3.655 1.669 3.169 weight 1.000 ! spec=HNH, no=136, id=91, vol=6.380000e+05
assign (resid 38 and name HD21) (resid 35 and name HB2) 3.535 1.562 3.062 weight 1.000 ! spec=HNH, no=137, id=92, vol=7.790000e+05
    or (resid   38 and name HD21) (resid   35 and name  HB1)
assign (resid 38 and name HD22) (resid 39 and name HN) 3.901 1.903 3.403 weight 1.000 ! spec=HNH, no=140, id=94, vol=4.310000e+05
assign (resid 38 and name HD21) (resid 38 and name HD22) 1.886 0.445 1.945 weight 1.000 ! spec=HNH, no=141, id=95, vol=3.380000e+07
assign (resid 38 and name HD22) (resid 35 and name HA) 3.107 1.207 2.707 weight 1.000 ! spec=HNH, no=144, id=97, vol=1.690000e+06
assign (resid 34 and name HE22) (resid 34 and name HG2) 2.835 1.004 2.504 weight 1.000 ! spec=HNH, no=147, id=100, vol=2.930000e+06
assign (resid 34 and name HE22) (resid 34 and name HG1) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=148, id=101, vol=1.370000e+06
assign (resid 38 and name HD22) (resid 35 and name HG1) 3.937 1.938 3.438 weight 1.000 ! spec=HNH, no=149, id=102, vol=4.080000e+05
assign (resid 38 and name HD22) (resid 35 and name HB2) 3.419 1.461 2.961 weight 1.000 ! spec=HNH, no=150, id=103, vol=9.510000e+05
    or (resid   38 and name HD22) (resid   35 and name  HB1)
assign (resid 34 and name HE22) (resid 48 and name HG2) 4.158 2.161 3.661 weight 1.000 ! spec=HNH, no=151, id=104, vol=2.940000e+05
    or (resid   34 and name HE22) (resid   48 and name  HG1)
assign (resid 34 and name HE22) (resid 55 and name HG22) 4.087 2.088 3.588 weight 1.000 ! spec=HNH, no=153, id=106, vol=3.260000e+05
    or (resid   34 and name HE22) (resid   55 and name HG21)
    or (resid   34 and name HE22) (resid   55 and name HG23)
assign (resid 34 and name HE22) (resid 37 and name HD22) 3.122 1.219 2.719 weight 1.000 ! spec=HNH, no=155, id=108, vol=1.640000e+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 28 and name HN) (resid 27 and name HN) 2.783 0.968 2.468 weight 1.000 ! spec=HNH, no=160, id=112, vol=3.270000e+06
assign (resid 17 and name HN) (resid 19 and name HN) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=161, id=113, vol=1.060000e+06
assign (resid 17 and name HN) (resid 58 and name HA) 3.894 1.895 3.395 weight 1.000 ! spec=HNH, no=163, id=115, vol=4.360000e+05
assign (resid 28 and name HN) (resid 25 and name HA) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=164, id=116, vol=3.610000e+05
assign (resid 17 and name HN) (resid 61 and name HB2) 3.989 1.989 3.489 weight 1.000 ! spec=HNH, no=169, id=121, vol=3.770000e+05
assign (resid 28 and name HN) (resid 28 and name HD2) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=173, id=125, vol=1.520000e+06
assign (resid 17 and name HN) (resid 16 and name HB2) 3.107 1.207 2.707 weight 1.000 ! spec=HNH, no=175, id=127, vol=1.690000e+06
assign (resid 17 and name HN) (resid 17 and name HG22) 2.391 0.715 2.215 weight 1.000 ! spec=HNH, no=176, id=128, vol=8.130000e+06
    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 17 and name HN) (resid 16 and name HB1) 3.198 1.279 2.779 weight 1.000 ! spec=HNH, no=178, id=130, vol=1.420000e+06
assign (resid 17 and name HN) (resid 62 and name HD22) 3.931 1.931 3.431 weight 1.000 ! spec=HNH, no=179, id=131, vol=4.120000e+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 52 and name HN) (resid 53 and name HN) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=181, id=133, vol=1.080000e+06
assign (resid 52 and name HN) (resid 50 and name HG2) 3.395 1.441 2.941 weight 1.000 ! spec=HNH, no=189, id=140, vol=9.930000e+05
assign (resid 52 and name HN) (resid 55 and name HG12) 3.464 1.500 3 weight 1.000 ! spec=HNH, no=192, id=143, vol=8.800000e+05
assign (resid 52 and name HN) (resid 51 and name HG) 3.380 1.428 2.928 weight 1.000 ! spec=HNH, no=193, id=144, vol=1.020000e+06
assign (resid 52 and name HN) (resid 51 and name HB1) 3.233 1.307 2.807 weight 1.000 ! spec=HNH, no=194, id=145, vol=1.330000e+06
assign (resid 52 and name HN) (resid 55 and name HD12) 2.858 1.021 2.521 weight 1.000 ! spec=HNH, no=195, id=146, vol=2.790000e+06
    or (resid   52 and name   HN) (resid   55 and name HD11)
    or (resid   52 and name   HN) (resid   55 and name HD13)
assign (resid 52 and name HN) (resid 51 and name HD22) 3.016 1.137 2.637 weight 1.000 ! spec=HNH, no=196, id=147, vol=2.020000e+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 45 and name HN) (resid 46 and name HN) 2.560 0.819 2.319 weight 1.000 ! spec=HNH, no=217, id=148, vol=5.400000e+06
assign (resid 45 and name HN) (resid 47 and name HN) 4.264 2.272 3.772 weight 1.000 ! spec=HNH, no=218, id=149, vol=2.530000e+05
assign (resid 45 and name HN) (resid 46 and name HA) 4.244 2.252 3.752 weight 1.000 ! spec=HNH, no=222, id=151, vol=2.600000e+05
assign (resid 45 and name HN) (resid 42 and name HA) 3.369 1.419 2.919 weight 1.000 ! spec=HNH, no=223, id=152, vol=1.040000e+06
assign (resid 45 and name HN) (resid 44 and name HA) 3.049 1.162 2.662 weight 1.000 ! spec=HNH, no=224, id=153, vol=1.890000e+06
assign (resid 45 and name HN) (resid 46 and name HB) 4.231 2.238 3.738 weight 1.000 ! spec=HNH, no=228, id=157, vol=2.650000e+05
assign (resid 45 and name HN) (resid 10 and name HB1) 3.847 1.850 3.35 weight 1.000 ! spec=HNH, no=229, id=158, vol=4.690000e+05
assign (resid 45 and name HN) (resid 44 and name HB2) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=230, id=159, vol=1.270000e+06
assign (resid 45 and name HN) (resid 44 and name HB1) 3.408 1.452 2.952 weight 1.000 ! spec=HNH, no=231, id=160, vol=9.700000e+05
assign (resid 45 and name HN) (resid 41 and name HB2) 3.831 1.834 3.334 weight 1.000 ! spec=HNH, no=232, id=161, vol=4.810000e+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 45 and name HN) (resid 11 and name HD12) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=233, id=162, vol=5.070000e+05
    or (resid   45 and name   HN) (resid   11 and name HD11)
    or (resid   45 and name   HN) (resid   11 and name HD13)
assign (resid 45 and name HN) (resid 44 and name HD22) 3.092 1.195 2.695 weight 1.000 ! spec=HNH, no=234, id=163, vol=1.740000e+06
    or (resid   45 and name   HN) (resid   44 and name HD21)
    or (resid   45 and name   HN) (resid   44 and name HD23)
    or (resid   45 and name   HN) (resid   44 and name HD12)
    or (resid   45 and name   HN) (resid   44 and name HD11)
    or (resid   45 and name   HN) (resid   44 and name HD13)
assign (resid 45 and name HN) (resid 46 and name HG12) 3.433 1.473 2.973 weight 1.000 ! spec=HNH, no=235, id=164, vol=9.290000e+05
    or (resid   45 and name   HN) (resid   46 and name HG11)
    or (resid   45 and name   HN) (resid   46 and name HG13)
assign (resid 81 and name HE1) (resid 81 and name HE3) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=258, id=165, vol=3.730000e+05
assign (resid 75 and name HN) (resid 76 and name HN) 3.657 1.672 3.172 weight 1.000 ! spec=HNH, no=281, id=169, vol=6.350000e+05
assign (resid 75 and name HN) (resid 32 and name HA) 3.613 1.632 3.132 weight 1.000 ! spec=HNH, no=283, id=170, vol=6.830000e+05
assign (resid 75 and name HN) (resid 75 and name HA) 3.289 1.352 2.852 weight 1.000 ! spec=HNH, no=285, id=172, vol=1.200000e+06
assign (resid 75 and name HN) (resid 73 and name HA) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=286, id=173, vol=4.140000e+05
assign (resid 75 and name HN) (resid 71 and name HA) 4.115 2.117 3.617 weight 1.000 ! spec=HNH, no=291, id=178, vol=3.130000e+05
assign (resid 75 and name HN) (resid 74 and name HB2) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=293, id=180, vol=1.060000e+06
    or (resid   75 and name   HN) (resid   74 and name  HB1)
assign (resid 75 and name HN) (resid 71 and name HB2) 3.714 1.724 3.224 weight 1.000 ! spec=HNH, no=295, id=182, vol=5.790000e+05
assign (resid 75 and name HN) (resid 71 and name HB1) 3.836 1.839 3.339 weight 1.000 ! spec=HNH, no=296, id=183, vol=4.770000e+05
assign (resid 75 and name HN) (resid 70 and name HB2) 4.091 2.093 3.593 weight 1.000 ! spec=HNH, no=300, id=187, vol=3.240000e+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) 3.982 1.982 3.482 weight 1.000 ! spec=HNH, no=301, id=188, vol=3.810000e+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 74 and name HN) (resid 74 and name HE21) 3.931 1.931 3.431 weight 1.000 ! spec=HNH, no=307, id=193, vol=4.120000e+05
assign (resid 74 and name HN) (resid 73 and name HA) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=314, id=200, vol=1.770000e+06
assign (resid 74 and name HN) (resid 74 and name HB2) 2.911 1.059 2.559 weight 1.000 ! spec=HNH, no=320, id=206, vol=2.500000e+06
    or (resid   74 and name   HN) (resid   74 and name  HB1)
assign (resid 74 and name HN) (resid 70 and name HB2) 4.484 2.513 4.013 weight 1.000 ! spec=HNH, no=323, id=209, vol=1.870000e+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) 3.518 1.547 3.047 weight 1.000 ! spec=HNH, no=326, id=211, vol=8.020000e+05
assign (resid 80 and name HN) (resid 81 and name HN) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=327, id=212, vol=2.850000e+06
assign (resid 80 and name HN) (resid 81 and name HD1) 4.416 2.437 3.937 weight 1.000 ! spec=HNH, no=329, id=214, vol=2.050000e+05
assign (resid 80 and name HN) (resid 68 and name HA) 4.049 2.049 3.549 weight 1.000 ! spec=HNH, no=330, id=215, vol=3.450000e+05
assign (resid 80 and name HN) (resid 78 and name HA) 3.459 1.495 2.995 weight 1.000 ! spec=HNH, no=333, id=218, vol=8.880000e+05
assign (resid 80 and name HN) (resid 79 and name HG2) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=338, id=223, vol=1.500000e+06
assign (resid 80 and name HN) (resid 79 and name HB1) 3.210 1.288 2.788 weight 1.000 ! spec=HNH, no=339, id=224, vol=1.390000e+06
assign (resid 80 and name HN) (resid 78 and name HB2) 3.149 1.239 2.739 weight 1.000 ! spec=HNH, no=341, id=226, vol=1.560000e+06
assign (resid 80 and name HN) (resid 78 and name HD12) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=342, id=227, vol=1.100000e+06
    or (resid   80 and name   HN) (resid   78 and name HD11)
    or (resid   80 and name   HN) (resid   78 and name HD13)
assign (resid 80 and name HN) (resid 78 and name HD22) 3.263 1.331 2.831 weight 1.000 ! spec=HNH, no=344, id=229, vol=1.260000e+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 42 and name HN) (resid 40 and name HN) 3.313 1.372 2.872 weight 1.000 ! spec=HNH, no=348, id=233, vol=1.150000e+06
assign (resid 42 and name HN) (resid 39 and name HN) 3.841 1.845 3.345 weight 1.000 ! spec=HNH, no=349, id=234, vol=4.730000e+05
assign (resid 42 and name HN) (resid 43 and name HN) 2.315 0.670 2.17 weight 1.000 ! spec=HNH, no=350, id=235, vol=9.880000e+06
assign (resid 42 and name HN) (resid 42 and name HA) 2.538 0.805 2.305 weight 1.000 ! spec=HNH, no=354, id=238, vol=5.690000e+06
assign (resid 42 and name HN) (resid 41 and name HA) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=356, id=240, vol=1.500000e+06
assign (resid 42 and name HN) (resid 48 and name HE2) 4.104 2.106 3.606 weight 1.000 ! spec=HNH, no=358, id=242, vol=3.180000e+05
    or (resid   42 and name   HN) (resid   48 and name  HE1)
assign (resid 42 and name HN) (resid 43 and name HB2) 3.322 1.380 2.88 weight 1.000 ! spec=HNH, no=362, id=246, vol=1.130000e+06
assign (resid 42 and name HN) (resid 40 and name HB) 3.455 1.492 2.992 weight 1.000 ! spec=HNH, no=364, id=248, vol=8.930000e+05
assign (resid 42 and name HN) (resid 40 and name HD12) 4.215 2.221 3.721 weight 1.000 ! spec=HNH, no=369, id=253, vol=2.710000e+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 46 and name HN) (resid 47 and name HN) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=370, id=254, vol=1.060000e+06
assign (resid 46 and name HN) (resid 42 and name HA) 3.526 1.554 3.054 weight 1.000 ! spec=HNH, no=372, id=255, vol=7.910000e+05
assign (resid 46 and name HN) (resid 44 and name HA) 3.546 1.572 3.072 weight 1.000 ! spec=HNH, no=373, id=256, vol=7.640000e+05
assign (resid 46 and name HN) (resid 41 and name HA) 3.060 1.171 2.671 weight 1.000 ! spec=HNH, no=376, id=259, vol=1.850000e+06
assign (resid 46 and name HN) (resid 46 and name HB) 3.104 1.204 2.704 weight 1.000 ! spec=HNH, no=377, id=260, vol=1.700000e+06
assign (resid 46 and name HN) (resid 44 and name HG) 3.159 1.247 2.747 weight 1.000 ! spec=HNH, no=378, id=261, vol=1.530000e+06
assign (resid 46 and name HN) (resid 44 and name HB1) 3.195 1.276 2.776 weight 1.000 ! spec=HNH, no=379, id=262, vol=1.430000e+06
assign (resid 34 and name HE21) (resid 34 and name HN) 3.828 1.832 3.332 weight 1.000 ! spec=HNH, no=384, id=267, vol=4.830000e+05
assign (resid 34 and name HE21) (resid 38 and name HB2) 3.611 1.630 3.13 weight 1.000 ! spec=HNH, no=388, id=271, vol=6.850000e+05
assign (resid 34 and name HE21) (resid 34 and name HB2) 3.353 1.405 2.905 weight 1.000 ! spec=HNH, no=390, id=273, vol=1.070000e+06
    or (resid   34 and name HE21) (resid   34 and name  HB1)
assign (resid 86 and name HE21) (resid 86 and name HB2) 3.747 1.755 3.255 weight 1.000 ! spec=HNH, no=394, id=277, vol=5.490000e+05
assign (resid 86 and name HE21) (resid 86 and name HB1) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=395, id=278, vol=4.700000e+05
assign (resid 74 and name HE21) (resid 73 and name HA) 3.659 1.674 3.174 weight 1.000 ! spec=HNH, no=401, id=283, vol=6.330000e+05
assign (resid 74 and name HE21) (resid 74 and name HG2) 2.619 0.857 2.357 weight 1.000 ! spec=HNH, no=406, id=287, vol=4.710000e+06
    or (resid   74 and name HE21) (resid   74 and name  HG1)
assign (resid 5 and name HE21) (resid 6 and name HD1) 3.221 1.297 2.797 weight 1.000 ! spec=HNH, no=416, id=290, vol=1.360000e+06
    or (resid    5 and name HE21) (resid    6 and name  HD2)
assign (resid 5 and name HE21) (resid 5 and name HE22) 1.581 0.313 1.813 weight 1.000 ! spec=HNH, no=419, id=293, vol=9.720000e+07
assign (resid 5 and name HE21) (resid 5 and name HG2) 2.873 1.032 2.532 weight 1.000 ! spec=HNH, no=421, id=295, vol=2.700000e+06
assign (resid 5 and name HE21) (resid 5 and name HG1) 2.708 0.917 2.417 weight 1.000 ! spec=HNH, no=422, id=296, vol=3.850000e+06
assign (resid 5 and name HE21) (resid 5 and name HB2) 3.405 1.449 2.949 weight 1.000 ! spec=HNH, no=423, id=297, vol=9.750000e+05
    or (resid    5 and name HE21) (resid    5 and name  HB1)
assign (resid 5 and name HE21) (resid 4 and name HB1) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=424, id=298, vol=4.140000e+05
assign (resid 63 and name HD21) (resid 63 and name HA) 3.588 1.609 3.109 weight 1.000 ! spec=HNH, no=430, id=302, vol=7.120000e+05
assign (resid 63 and name HD21) (resid 60 and name HA) 3.554 1.579 3.079 weight 1.000 ! spec=HNH, no=431, id=303, vol=7.540000e+05
assign (resid 63 and name HD21) (resid 63 and name HB2) 3.058 1.169 2.669 weight 1.000 ! spec=HNH, no=433, id=305, vol=1.860000e+06
assign (resid 63 and name HD21) (resid 59 and name HA) 4.115 2.117 3.617 weight 1.000 ! spec=HNH, no=434, id=306, vol=3.130000e+05
assign (resid 63 and name HD21) (resid 63 and name HB1) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=435, id=307, vol=1.510000e+06
assign (resid 63 and name HD21) (resid 64 and name HG22) 4.135 2.137 3.637 weight 1.000 ! spec=HNH, no=437, id=309, vol=3.040000e+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) 3.944 1.944 3.444 weight 1.000 ! spec=HNH, no=438, id=310, vol=4.040000e+05
assign (resid 63 and name HD21) (resid 62 and name HG) 4.182 2.186 3.686 weight 1.000 ! spec=HNH, no=439, id=311, vol=2.840000e+05
assign (resid 86 and name HE22) (resid 86 and name HE21) 1.507 0.284 1.784 weight 1.000 ! spec=HNH, no=443, id=314, vol=1.300000e+08
assign (resid 74 and name HN) (resid 74 and name HE22) 3.909 1.910 3.41 weight 1.000 ! spec=HNH, no=444, id=315, vol=4.260000e+05
assign (resid 74 and name HE22) (resid 73 and name HA) 3.965 1.965 3.465 weight 1.000 ! spec=HNH, no=449, id=320, vol=3.910000e+05
assign (resid 74 and name HE22) (resid 74 and name HA) 3.740 1.749 3.249 weight 1.000 ! spec=HNH, no=450, id=321, vol=5.550000e+05
assign (resid 74 and name HE22) (resid 74 and name HB2) 3.674 1.687 3.187 weight 1.000 ! spec=HNH, no=451, id=322, vol=6.180000e+05
    or (resid   74 and name HE22) (resid   74 and name  HB1)
assign (resid 74 and name HE22) (resid 74 and name HG2) 2.903 1.053 2.553 weight 1.000 ! spec=HNH, no=452, id=323, vol=2.540000e+06
    or (resid   74 and name HE22) (resid   74 and name  HG1)
assign (resid 5 and name HE22) (resid 5 and name HG2) 3.135 1.229 2.729 weight 1.000 ! spec=HNH, no=454, id=325, vol=1.600000e+06
assign (resid 74 and name HE22) (resid 75 and name HN) 2.762 0.954 2.454 weight 1.000 ! spec=HNH, no=461, id=332, vol=3.420000e+06
assign (resid 86 and name HE22) (resid 79 and name HB2) 3.742 1.750 3.25 weight 1.000 ! spec=HNH, no=464, id=335, vol=5.540000e+05
assign (resid 74 and name HE22) (resid 73 and name HB1) 4.405 2.426 3.926 weight 1.000 ! spec=HNH, no=469, id=338, vol=2.080000e+05
assign (resid 86 and name HE22) (resid 86 and name HB1) 3.965 1.965 3.465 weight 1.000 ! spec=HNH, no=471, id=340, vol=3.910000e+05
assign (resid 28 and name HN) (resid 24 and name HA) 4.258 2.266 3.766 weight 1.000 ! spec=HNH, no=477, id=346, vol=2.550000e+05
assign (resid 29 and name HN) (resid 26 and name HN) 3.861 1.863 3.363 weight 1.000 ! spec=HNH, no=488, id=354, vol=4.590000e+05
assign (resid 29 and name HN) (resid 81 and name HZ2) 3.142 1.234 2.734 weight 1.000 ! spec=HNH, no=489, id=355, vol=1.580000e+06
assign (resid 29 and name HN) (resid 30 and name HA) 4.409 2.430 3.93 weight 1.000 ! spec=HNH, no=490, id=356, vol=2.070000e+05
assign (resid 29 and name HN) (resid 71 and name HD22) 4.242 2.249 3.749 weight 1.000 ! spec=HNH, no=491, id=357, vol=2.610000e+05
    or (resid   29 and name   HN) (resid   71 and name HD21)
    or (resid   29 and name   HN) (resid   71 and name HD23)
assign (resid 74 and name HE21) (resid 73 and name HB1) 4.083 2.084 3.584 weight 1.000 ! spec=HNH, no=493, id=359, vol=3.280000e+05
assign (resid 74 and name HE21) (resid 74 and name HA) 3.739 1.748 3.248 weight 1.000 ! spec=HNH, no=494, id=360, vol=5.560000e+05
assign (resid 44 and name HN) (resid 41 and name HB2) 3.280 1.345 2.845 weight 1.000 ! spec=HNH, no=505, id=369, vol=1.220000e+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 61 and name HN) 2.713 0.920 2.42 weight 1.000 ! spec=HNH, no=508, id=372, vol=3.810000e+06
assign (resid 60 and name HN) (resid 59 and name HN) 2.819 0.993 2.493 weight 1.000 ! spec=HNH, no=509, id=373, vol=3.030000e+06
assign (resid 60 and name HN) (resid 58 and name HA) 4.278 2.288 3.788 weight 1.000 ! spec=HNH, no=514, id=377, vol=2.480000e+05
assign (resid 60 and name HN) (resid 57 and name HG2) 3.648 1.663 3.163 weight 1.000 ! spec=HNH, no=522, id=385, vol=6.450000e+05
assign (resid 60 and name HN) (resid 60 and name HG21) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=523, id=386, vol=2.850000e+06
    or (resid   60 and name   HN) (resid   60 and name HG22)
    or (resid   60 and name   HN) (resid   60 and name HG23)
assign (resid 22 and name HN) (resid 3 and name HD12) 3.044 1.158 2.658 weight 1.000 ! spec=HNH, no=524, id=387, vol=1.910000e+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 60 and name HN) (resid 62 and name HD22) 3.858 1.860 3.36 weight 1.000 ! spec=HNH, no=527, id=390, vol=4.610000e+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 37 and name HN) (resid 40 and name HN) 4.011 2.011 3.511 weight 1.000 ! spec=HNH, no=528, id=391, vol=3.650000e+05
assign (resid 37 and name HN) (resid 39 and name HN) 3.470 1.505 3.005 weight 1.000 ! spec=HNH, no=530, id=393, vol=8.700000e+05
assign (resid 37 and name HN) (resid 38 and name HN) 2.719 0.924 2.424 weight 1.000 ! spec=HNH, no=532, id=394, vol=3.760000e+06
assign (resid 37 and name HN) (resid 58 and name HD1) 3.742 1.750 3.25 weight 1.000 ! spec=HNH, no=533, id=395, vol=5.540000e+05
    or (resid   37 and name   HN) (resid   58 and name  HD2)
assign (resid 37 and name HN) (resid 33 and name HD1) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=534, id=396, vol=4.240000e+05
    or (resid   37 and name   HN) (resid   33 and name  HD2)
assign (resid 37 and name HN) (resid 36 and name HA) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=537, id=399, vol=1.480000e+06
assign (resid 37 and name HN) (resid 38 and name HB2) 3.529 1.557 3.057 weight 1.000 ! spec=HNH, no=540, id=402, vol=7.870000e+05
assign (resid 37 and name HN) (resid 34 and name HG1) 4.517 2.550 4.05 weight 1.000 ! spec=HNH, no=541, id=403, vol=1.790000e+05
assign (resid 37 and name HN) (resid 35 and name HB2) 3.402 1.447 2.947 weight 1.000 ! spec=HNH, no=543, id=405, vol=9.800000e+05
    or (resid   37 and name   HN) (resid   35 and name  HB1)
assign (resid 37 and name HN) (resid 36 and name HB1) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=545, id=407, vol=2.130000e+06
assign (resid 37 and name HN) (resid 37 and name HB1) 2.522 0.795 2.295 weight 1.000 ! spec=HNH, no=547, id=409, vol=5.910000e+06
assign (resid 37 and name HN) (resid 48 and name HD2) 3.439 1.479 2.979 weight 1.000 ! spec=HNH, no=549, id=411, vol=9.180000e+05
    or (resid   37 and name   HN) (resid   48 and name  HD1)
assign (resid 37 and name HN) (resid 37 and name HD22) 2.699 0.911 2.411 weight 1.000 ! spec=HNH, no=550, id=412, vol=3.930000e+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 50 and name HN) (resid 49 and name HN) 2.695 0.908 2.408 weight 1.000 ! spec=HNH, no=552, id=414, vol=3.970000e+06
assign (resid 50 and name HN) (resid 48 and name HN) 3.580 1.602 3.102 weight 1.000 ! spec=HNH, no=553, id=415, vol=7.220000e+05
assign (resid 50 and name HN) (resid 47 and name HN) 3.242 1.313 2.813 weight 1.000 ! spec=HNH, no=554, id=416, vol=1.310000e+06
assign (resid 50 and name HN) (resid 51 and name HN) 2.436 0.742 2.242 weight 1.000 ! spec=HNH, no=557, id=418, vol=7.270000e+06
assign (resid 50 and name HN) (resid 47 and name HA) 3.730 1.739 3.239 weight 1.000 ! spec=HNH, no=558, id=419, vol=5.640000e+05
assign (resid 50 and name HN) (resid 47 and name HE2) 3.770 1.777 3.277 weight 1.000 ! spec=HNH, no=562, id=423, vol=5.290000e+05
    or (resid   50 and name   HN) (resid   47 and name  HE1)
assign (resid 50 and name HN) (resid 50 and name HG2) 2.241 0.628 2.128 weight 1.000 ! spec=HNH, no=563, id=424, vol=1.200000e+07
assign (resid 50 and name HN) (resid 49 and name HB2) 2.807 0.985 2.485 weight 1.000 ! spec=HNH, no=564, id=425, vol=3.110000e+06
    or (resid   50 and name   HN) (resid   49 and name  HB1)
assign (resid 50 and name HN) (resid 47 and name HB1) 2.926 1.070 2.57 weight 1.000 ! spec=HNH, no=565, id=426, vol=2.420000e+06
assign (resid 50 and name HN) (resid 48 and name HG2) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=566, id=427, vol=1.280000e+06
    or (resid   50 and name   HN) (resid   48 and name  HG1)
assign (resid 50 and name HN) (resid 51 and name HD22) 3.113 1.211 2.711 weight 1.000 ! spec=HNH, no=567, id=428, vol=1.670000e+06
    or (resid   50 and name   HN) (resid   51 and name HD21)
    or (resid   50 and name   HN) (resid   51 and name HD23)
    or (resid   50 and name   HN) (resid   51 and name HD12)
    or (resid   50 and name   HN) (resid   51 and name HD11)
    or (resid   50 and name   HN) (resid   51 and name HD13)
assign (resid 50 and name HN) (resid 46 and name HG22) 3.246 1.317 2.817 weight 1.000 ! spec=HNH, no=568, id=429, vol=1.300000e+06
    or (resid   50 and name   HN) (resid   46 and name HG21)
    or (resid   50 and name   HN) (resid   46 and name HG23)
assign (resid 25 and name HN) (resid 24 and name HN) 2.686 0.902 2.402 weight 1.000 ! spec=HNH, no=571, id=431, vol=4.050000e+06
assign (resid 25 and name HN) (resid 23 and name HN) 3.063 1.173 2.673 weight 1.000 ! spec=HNH, no=573, id=433, vol=1.840000e+06
assign (resid 25 and name HN) (resid 22 and name HN) 3.552 1.577 3.077 weight 1.000 ! spec=HNH, no=575, id=434, vol=7.570000e+05
assign (resid 25 and name HN) (resid 26 and name HN) 2.636 0.869 2.369 weight 1.000 ! spec=HNH, no=576, id=435, vol=4.530000e+06
assign (resid 25 and name HN) (resid 23 and name HA) 3.570 1.593 3.093 weight 1.000 ! spec=HNH, no=579, id=438, vol=7.340000e+05
assign (resid 25 and name HN) (resid 24 and name HB1) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=581, id=440, vol=2.130000e+06
assign (resid 25 and name HN) (resid 25 and name HG2) 2.696 0.908 2.408 weight 1.000 ! spec=HNH, no=582, id=441, vol=3.960000e+06
    or (resid   25 and name   HN) (resid   25 and name  HG1)
assign (resid 25 and name HN) (resid 23 and name HD12) 3.742 1.750 3.25 weight 1.000 ! spec=HNH, no=584, id=443, vol=5.540000e+05
    or (resid   25 and name   HN) (resid   23 and name HD11)
    or (resid   25 and name   HN) (resid   23 and name HD13)
assign (resid 25 and name HN) (resid 78 and name HD22) 3.649 1.664 3.164 weight 1.000 ! spec=HNH, no=585, id=444, vol=6.440000e+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) 2.541 0.807 2.307 weight 1.000 ! spec=HNH, no=588, id=446, vol=5.640000e+06
assign (resid 54 and name HN) (resid 54 and name HG2) 2.708 0.917 2.417 weight 1.000 ! spec=HNH, no=599, id=457, vol=3.850000e+06
assign (resid 68 and name HN) (resid 76 and name HZ3) 4.158 2.161 3.661 weight 1.000 ! spec=HNH, no=602, id=460, vol=2.940000e+05
assign (resid 68 and name HN) (resid 79 and name HB2) 4.061 2.061 3.561 weight 1.000 ! spec=HNH, no=604, id=462, vol=3.390000e+05
assign (resid 68 and name HN) (resid 62 and name HD12) 4.091 2.093 3.593 weight 1.000 ! spec=HNH, no=605, id=463, vol=3.240000e+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 55 and name HN) 4.161 2.164 3.664 weight 1.000 ! spec=HNH, no=610, id=467, vol=2.930000e+05
assign (resid 59 and name HN) (resid 58 and name HA) 3.459 1.495 2.995 weight 1.000 ! spec=HNH, no=615, id=471, vol=8.880000e+05
assign (resid 59 and name HN) (resid 57 and name HA) 3.843 1.846 3.346 weight 1.000 ! spec=HNH, no=617, id=473, vol=4.720000e+05
assign (resid 59 and name HN) (resid 57 and name HB1) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=621, id=477, vol=3.730000e+05
assign (resid 59 and name HN) (resid 56 and name HB2) 3.558 1.583 3.083 weight 1.000 ! spec=HNH, no=623, id=479, vol=7.490000e+05
    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 60 and name HG21) 4.266 2.275 3.775 weight 1.000 ! spec=HNH, no=624, id=480, vol=2.520000e+05
    or (resid   59 and name   HN) (resid   60 and name HG22)
    or (resid   59 and name   HN) (resid   60 and name HG23)
assign (resid 59 and name HN) (resid 16 and name HD12) 3.780 1.786 3.286 weight 1.000 ! spec=HNH, no=628, id=484, vol=5.210000e+05
    or (resid   59 and name   HN) (resid   16 and name HD11)
    or (resid   59 and name   HN) (resid   16 and name HD13)
assign (resid 20 and name HN) (resid 17 and name HN) 3.952 1.952 3.452 weight 1.000 ! spec=HNH, no=629, id=485, vol=3.990000e+05
assign (resid 20 and name HN) (resid 21 and name HN) 2.642 0.872 2.372 weight 1.000 ! spec=HNH, no=631, id=486, vol=4.470000e+06
assign (resid 20 and name HN) (resid 19 and name HN) 2.761 0.953 2.453 weight 1.000 ! spec=HNH, no=634, id=489, vol=3.430000e+06
assign (resid 20 and name HN) (resid 21 and name HA) 3.828 1.832 3.332 weight 1.000 ! spec=HNH, no=636, id=491, vol=4.830000e+05
assign (resid 20 and name HN) (resid 18 and name HB2) 3.907 1.909 3.409 weight 1.000 ! spec=HNH, no=641, id=496, vol=4.270000e+05
assign (resid 20 and name HN) (resid 19 and name HB) 2.692 0.906 2.406 weight 1.000 ! spec=HNH, no=642, id=497, vol=3.990000e+06
assign (resid 20 and name HN) (resid 19 and name HG12) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=643, id=498, vol=1.770000e+06
assign (resid 20 and name HN) (resid 17 and name HG22) 3.554 1.579 3.079 weight 1.000 ! spec=HNH, no=645, id=500, vol=7.540000e+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 68 and name HD1) 4.215 2.221 3.721 weight 1.000 ! spec=HNH, no=655, id=508, vol=2.710000e+05
    or (resid   20 and name   HN) (resid   68 and name  HD2)
assign (resid 9 and name HN) (resid 8 and name HG2) 3.534 1.561 3.061 weight 1.000 ! spec=HNH, no=662, id=515, vol=7.800000e+05
assign (resid 21 and name HN) (resid 58 and name HE1) 4.154 2.157 3.657 weight 1.000 ! spec=HNH, no=664, id=517, vol=2.960000e+05
    or (resid   21 and name   HN) (resid   58 and name  HE2)
assign (resid 25 and name HN) (resid 24 and name HA) 3.271 1.338 2.838 weight 1.000 ! spec=HNH, no=667, id=520, vol=1.240000e+06
assign (resid 25 and name HN) (resid 26 and name HB1) 3.487 1.520 3.02 weight 1.000 ! spec=HNH, no=671, id=524, vol=8.460000e+05
assign (resid 25 and name HN) (resid 23 and name HB2) 3.786 1.792 3.292 weight 1.000 ! spec=HNH, no=672, id=525, vol=5.160000e+05
assign (resid 25 and name HN) (resid 23 and name HB1) 4.144 2.147 3.647 weight 1.000 ! spec=HNH, no=674, id=527, vol=3.000000e+05
assign (resid 68 and name HN) (resid 67 and name HN) 2.853 1.017 2.517 weight 1.000 ! spec=HNH, no=677, id=530, vol=2.820000e+06
assign (resid 68 and name HN) (resid 78 and name HA) 3.862 1.864 3.364 weight 1.000 ! spec=HNH, no=683, id=536, vol=4.580000e+05
assign (resid 68 and name HN) (resid 68 and name HB1) 3.169 1.256 2.756 weight 1.000 ! spec=HNH, no=686, id=539, vol=1.500000e+06
assign (resid 59 and name HN) (resid 58 and name HB2) 2.999 1.124 2.624 weight 1.000 ! spec=HNH, no=690, id=543, vol=2.090000e+06
assign (resid 20 and name HN) (resid 22 and name HN) 3.864 1.866 3.366 weight 1.000 ! spec=HNH, no=691, id=544, vol=4.570000e+05
assign (resid 24 and name HN) (resid 24 and name HD1) 3.285 1.349 2.849 weight 1.000 ! spec=HNH, no=692, id=545, vol=1.210000e+06
    or (resid   24 and name   HN) (resid   24 and name  HD2)
assign (resid 24 and name HN) (resid 26 and name HN) 3.765 1.771 3.271 weight 1.000 ! spec=HNH, no=693, id=546, vol=5.340000e+05
assign (resid 24 and name HN) (resid 22 and name HN) 3.773 1.779 3.279 weight 1.000 ! spec=HNH, no=694, id=547, vol=5.270000e+05
assign (resid 24 and name HN) (resid 81 and name HH2) 3.988 1.988 3.488 weight 1.000 ! spec=HNH, no=695, id=548, vol=3.780000e+05
assign (resid 24 and name HN) (resid 24 and name HA) 2.913 1.060 2.56 weight 1.000 ! spec=HNH, no=697, id=550, vol=2.490000e+06
assign (resid 24 and name HN) (resid 25 and name HA) 3.820 1.824 3.324 weight 1.000 ! spec=HNH, no=698, id=551, vol=4.890000e+05
assign (resid 24 and name HN) (resid 23 and name HA) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=699, id=552, vol=1.100000e+06
assign (resid 24 and name HN) (resid 21 and name HB2) 3.859 1.862 3.362 weight 1.000 ! spec=HNH, no=702, id=555, vol=4.600000e+05
assign (resid 24 and name HN) (resid 24 and name HB2) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=704, id=557, vol=2.030000e+06
assign (resid 24 and name HN) (resid 24 and name HB1) 2.833 1.003 2.503 weight 1.000 ! spec=HNH, no=705, id=558, vol=2.940000e+06
assign (resid 24 and name HN) (resid 25 and name HB2) 3.422 1.464 2.964 weight 1.000 ! spec=HNH, no=706, id=559, vol=9.470000e+05
    or (resid   24 and name   HN) (resid   25 and name  HB1)
assign (resid 24 and name HN) (resid 25 and name HG2) 4.190 2.194 3.694 weight 1.000 ! spec=HNH, no=707, id=560, vol=2.810000e+05
    or (resid   24 and name   HN) (resid   25 and name  HG1)
assign (resid 24 and name HN) (resid 22 and name HB2) 3.809 1.813 3.313 weight 1.000 ! spec=HNH, no=708, id=561, vol=4.980000e+05
    or (resid   24 and name   HN) (resid   22 and name  HB1)
assign (resid 24 and name HN) (resid 23 and name HB2) 2.985 1.114 2.614 weight 1.000 ! spec=HNH, no=709, id=562, vol=2.150000e+06
assign (resid 24 and name HN) (resid 23 and name HG) 3.405 1.449 2.949 weight 1.000 ! spec=HNH, no=710, id=563, vol=9.750000e+05
assign (resid 24 and name HN) (resid 20 and name HB2) 3.547 1.573 3.073 weight 1.000 ! spec=HNH, no=711, id=564, vol=7.630000e+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 HD12) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=713, id=566, vol=1.280000e+06
    or (resid   24 and name   HN) (resid   23 and name HD11)
    or (resid   24 and name   HN) (resid   23 and name HD13)
assign (resid 24 and name HN) (resid 78 and name HG) 3.413 1.456 2.956 weight 1.000 ! spec=HNH, no=716, id=569, vol=9.620000e+05
assign (resid 24 and name HN) (resid 78 and name HD22) 3.419 1.461 2.961 weight 1.000 ! spec=HNH, no=717, id=570, vol=9.510000e+05
    or (resid   24 and name   HN) (resid   78 and name HD21)
    or (resid   24 and name   HN) (resid   78 and name HD23)
assign (resid 67 and name HN) (resid 66 and name HN) 3.159 1.247 2.747 weight 1.000 ! spec=HNH, no=719, id=571, vol=1.530000e+06
assign (resid 67 and name HN) (resid 65 and name HN) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=721, id=573, vol=2.790000e+05
assign (resid 67 and name HN) (resid 21 and name HD2) 4.228 2.235 3.735 weight 1.000 ! spec=HNH, no=724, id=576, vol=2.660000e+05
assign (resid 67 and name HN) (resid 65 and name HA) 3.628 1.645 3.145 weight 1.000 ! spec=HNH, no=728, id=580, vol=6.670000e+05
assign (resid 67 and name HN) (resid 68 and name HB1) 4.115 2.117 3.617 weight 1.000 ! spec=HNH, no=729, id=581, vol=3.130000e+05
assign (resid 67 and name HN) (resid 68 and name HB2) 4.033 2.034 3.534 weight 1.000 ! spec=HNH, no=730, id=582, vol=3.530000e+05
assign (resid 67 and name HN) (resid 65 and name HB2) 4.006 2.006 3.506 weight 1.000 ! spec=HNH, no=731, id=583, vol=3.680000e+05
assign (resid 67 and name HN) (resid 65 and name HB1) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=733, id=585, vol=4.140000e+05
assign (resid 67 and name HN) (resid 67 and name HB2) 3.280 1.345 2.845 weight 1.000 ! spec=HNH, no=735, id=587, vol=1.220000e+06
assign (resid 67 and name HN) (resid 17 and name HG22) 4.200 2.205 3.705 weight 1.000 ! spec=HNH, no=738, id=590, vol=2.770000e+05
    or (resid   67 and name   HN) (resid   17 and name HG21)
    or (resid   67 and name   HN) (resid   17 and name HG23)
    or (resid   67 and name   HN) (resid   17 and name HG12)
    or (resid   67 and name   HN) (resid   17 and name HG11)
    or (resid   67 and name   HN) (resid   17 and name HG13)
assign (resid 67 and name HN) (resid 78 and name HD22) 4.117 2.119 3.619 weight 1.000 ! spec=HNH, no=739, id=591, vol=3.120000e+05
    or (resid   67 and name   HN) (resid   78 and name HD21)
    or (resid   67 and name   HN) (resid   78 and name HD23)
assign (resid 7 and name HN) (resid 11 and name HN) 3.660 1.675 3.175 weight 1.000 ! spec=HNH, no=742, id=593, vol=6.320000e+05
assign (resid 7 and name HN) (resid 6 and name HN) 3.332 1.388 2.888 weight 1.000 ! spec=HNH, no=744, id=595, vol=1.110000e+06
assign (resid 7 and name HN) (resid 6 and name HA) 2.338 0.683 2.183 weight 1.000 ! spec=HNH, no=746, id=597, vol=9.310000e+06
assign (resid 7 and name HN) (resid 7 and name HA) 2.956 1.092 2.592 weight 1.000 ! spec=HNH, no=747, id=598, vol=2.280000e+06
assign (resid 7 and name HN) (resid 7 and name HB1) 2.926 1.070 2.57 weight 1.000 ! spec=HNH, no=749, id=600, vol=2.420000e+06
assign (resid 7 and name HN) (resid 6 and name HB1) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=752, id=603, vol=1.480000e+06
assign (resid 7 and name HN) (resid 10 and name HB2) 3.026 1.145 2.645 weight 1.000 ! spec=HNH, no=753, id=604, vol=1.980000e+06
assign (resid 7 and name HN) (resid 11 and name HG) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=757, id=608, vol=3.730000e+05
assign (resid 7 and name HN) (resid 11 and name HD22) 3.828 1.832 3.332 weight 1.000 ! spec=HNH, no=759, id=610, vol=4.830000e+05
    or (resid    7 and name   HN) (resid   11 and name HD21)
    or (resid    7 and name   HN) (resid   11 and name HD23)
assign (resid 7 and name HN) (resid 8 and name HN) 3.414 1.457 2.957 weight 1.000 ! spec=HNH, no=761, id=611, vol=9.600000e+05
assign (resid 8 and name HN) (resid 9 and name HN) 2.618 0.857 2.357 weight 1.000 ! spec=HNH, no=762, id=612, vol=4.720000e+06
assign (resid 3 and name HN) (resid 2 and name HA1) 2.706 0.915 2.415 weight 1.000 ! spec=HNH, no=770, id=620, vol=3.870000e+06
assign (resid 8 and name HN) (resid 8 and name HG2) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=772, id=622, vol=1.760000e+06
assign (resid 8 and name HN) (resid 11 and name HG) 3.873 1.875 3.375 weight 1.000 ! spec=HNH, no=776, id=626, vol=4.500000e+05
assign (resid 8 and name HN) (resid 11 and name HD12) 3.455 1.492 2.992 weight 1.000 ! spec=HNH, no=777, id=627, vol=8.930000e+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 48 and name HN) (resid 51 and name HN) 4.113 2.114 3.614 weight 1.000 ! spec=HNH, no=791, id=637, vol=3.140000e+05
assign (resid 48 and name HN) (resid 50 and name HG2) 3.658 1.673 3.173 weight 1.000 ! spec=HNH, no=798, id=644, vol=6.340000e+05
assign (resid 48 and name HN) (resid 49 and name HG2) 4.326 2.339 3.839 weight 1.000 ! spec=HNH, no=799, id=645, vol=2.320000e+05
assign (resid 48 and name HN) (resid 47 and name HB2) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=800, id=646, vol=2.830000e+06
assign (resid 48 and name HN) (resid 51 and name HD22) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=807, id=653, vol=1.030000e+06
    or (resid   48 and name   HN) (resid   51 and name HD21)
    or (resid   48 and name   HN) (resid   51 and name HD23)
    or (resid   48 and name   HN) (resid   51 and name HD12)
    or (resid   48 and name   HN) (resid   51 and name HD11)
    or (resid   48 and name   HN) (resid   51 and name HD13)
assign (resid 48 and name HN) (resid 46 and name HG22) 3.738 1.747 3.247 weight 1.000 ! spec=HNH, no=808, id=654, vol=5.570000e+05
    or (resid   48 and name   HN) (resid   46 and name HG21)
    or (resid   48 and name   HN) (resid   46 and name HG23)
assign (resid 53 and name HN) (resid 54 and name HN) 2.989 1.117 2.617 weight 1.000 ! spec=HNH, no=809, id=655, vol=2.130000e+06
assign (resid 53 and name HN) (resid 54 and name HA) 4.087 2.088 3.588 weight 1.000 ! spec=HNH, no=812, id=658, vol=3.260000e+05
assign (resid 53 and name HN) (resid 55 and name HG12) 3.627 1.644 3.144 weight 1.000 ! spec=HNH, no=817, id=663, vol=6.680000e+05
assign (resid 53 and name HN) (resid 54 and name HG2) 4.266 2.275 3.775 weight 1.000 ! spec=HNH, no=818, id=664, vol=2.520000e+05
assign (resid 53 and name HN) (resid 55 and name HB) 4.210 2.215 3.715 weight 1.000 ! spec=HNH, no=819, id=665, vol=2.730000e+05
assign (resid 69 and name HN) (resid 77 and name HN) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=823, id=668, vol=1.960000e+06
assign (resid 61 and name HN) (resid 63 and name HN) 3.513 1.542 3.042 weight 1.000 ! spec=HNH, no=825, id=670, vol=8.090000e+05
assign (resid 61 and name HN) (resid 59 and name HD1) 4.275 2.284 3.784 weight 1.000 ! spec=HNH, no=828, id=673, vol=2.490000e+05
    or (resid   61 and name   HN) (resid   59 and name  HD2)
assign (resid 61 and name HN) (resid 58 and name HE1) 4.298 2.309 3.809 weight 1.000 ! spec=HNH, no=830, id=675, vol=2.410000e+05
    or (resid   61 and name   HN) (resid   58 and name  HE2)
assign (resid 61 and name HN) (resid 58 and name HA) 3.322 1.380 2.88 weight 1.000 ! spec=HNH, no=832, id=677, vol=1.130000e+06
assign (resid 69 and name HN) (resid 69 and name HA) 3.250 1.320 2.82 weight 1.000 ! spec=HNH, no=834, id=679, vol=1.290000e+06
assign (resid 61 and name HN) (resid 57 and name HA) 3.422 1.464 2.964 weight 1.000 ! spec=HNH, no=838, id=683, vol=9.460000e+05
assign (resid 69 and name HN) (resid 70 and name HA) 3.786 1.792 3.292 weight 1.000 ! spec=HNH, no=839, id=684, vol=5.160000e+05
assign (resid 61 and name HN) (resid 17 and name HB) 4.004 2.004 3.504 weight 1.000 ! spec=HNH, no=842, id=687, vol=3.690000e+05
assign (resid 61 and name HN) (resid 57 and name HB1) 4.059 2.059 3.559 weight 1.000 ! spec=HNH, no=843, id=688, vol=3.400000e+05
assign (resid 69 and name HN) (resid 79 and name HB2) 3.944 1.944 3.444 weight 1.000 ! spec=HNH, no=845, id=690, vol=4.040000e+05
assign (resid 61 and name HN) (resid 64 and name HG11) 3.655 1.669 3.169 weight 1.000 ! spec=HNH, no=847, id=692, vol=6.380000e+05
assign (resid 69 and name HN) (resid 69 and name HB1) 3.060 1.171 2.671 weight 1.000 ! spec=HNH, no=848, id=693, vol=1.850000e+06
assign (resid 69 and name HN) (resid 69 and name HD12) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=850, id=695, vol=1.030000e+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 69 and name HN) (resid 69 and name HD22) 3.229 1.304 2.804 weight 1.000 ! spec=HNH, no=851, id=696, vol=1.340000e+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 69 and name HN) (resid 68 and name HB1) 2.982 1.112 2.612 weight 1.000 ! spec=HNH, no=857, id=702, vol=2.160000e+06
assign (resid 76 and name HN) (resid 31 and name HN) 3.063 1.173 2.673 weight 1.000 ! spec=HNH, no=860, id=705, vol=1.840000e+06
assign (resid 76 and name HN) (resid 68 and name HZ) 3.926 1.927 3.427 weight 1.000 ! spec=HNH, no=862, id=706, vol=4.150000e+05
assign (resid 76 and name HN) (resid 76 and name HA) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=866, id=710, vol=1.010000e+06
assign (resid 76 and name HN) (resid 75 and name HA) 3.008 1.131 2.631 weight 1.000 ! spec=HNH, no=868, id=712, vol=2.050000e+06
assign (resid 76 and name HN) (resid 32 and name HD2) 3.811 1.816 3.316 weight 1.000 ! spec=HNH, no=870, id=714, vol=4.960000e+05
assign (resid 76 and name HN) (resid 70 and name HA) 3.839 1.842 3.342 weight 1.000 ! spec=HNH, no=872, id=716, vol=4.750000e+05
assign (resid 76 and name HN) (resid 76 and name HB2) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=873, id=717, vol=1.960000e+06
    or (resid   76 and name   HN) (resid   76 and name  HB1)
assign (resid 76 and name HN) (resid 30 and name HB1) 3.672 1.685 3.185 weight 1.000 ! spec=HNH, no=874, id=718, vol=6.200000e+05
assign (resid 76 and name HN) (resid 75 and name HG21) 2.930 1.073 2.573 weight 1.000 ! spec=HNH, no=876, id=720, vol=2.400000e+06
    or (resid   76 and name   HN) (resid   75 and name HG22)
    or (resid   76 and name   HN) (resid   75 and name HG23)
assign (resid 41 and name HN) (resid 40 and name HN) 2.458 0.755 2.255 weight 1.000 ! spec=HNH, no=880, id=722, vol=6.890000e+06
assign (resid 42 and name HN) (resid 41 and name HN) 2.632 0.866 2.366 weight 1.000 ! spec=HNH, no=881, id=723, vol=4.570000e+06
assign (resid 41 and name HN) (resid 48 and name HE2) 3.952 1.952 3.452 weight 1.000 ! spec=HNH, no=885, id=727, vol=3.990000e+05
    or (resid   41 and name   HN) (resid   48 and name  HE1)
assign (resid 41 and name HN) (resid 40 and name HB) 2.691 0.905 2.405 weight 1.000 ! spec=HNH, no=888, id=730, vol=4.000000e+06
assign (resid 41 and name HN) (resid 44 and name HD22) 2.836 1.006 2.506 weight 1.000 ! spec=HNH, no=891, id=733, vol=2.920000e+06
    or (resid   41 and name   HN) (resid   44 and name HD21)
    or (resid   41 and name   HN) (resid   44 and name HD23)
    or (resid   41 and name   HN) (resid   44 and name HD12)
    or (resid   41 and name   HN) (resid   44 and name HD11)
    or (resid   41 and name   HN) (resid   44 and name HD13)
assign (resid 41 and name HN) (resid 40 and name HD12) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=893, id=735, vol=1.510000e+06
    or (resid   41 and name   HN) (resid   40 and name HD11)
    or (resid   41 and name   HN) (resid   40 and name HD13)
assign (resid 41 and name HN) (resid 23 and name HD12) 3.675 1.688 3.188 weight 1.000 ! spec=HNH, no=894, id=736, vol=6.170000e+05
    or (resid   41 and name   HN) (resid   23 and name HD11)
    or (resid   41 and name   HN) (resid   23 and name HD13)
assign (resid 23 and name HN) (resid 22 and name HN) 2.726 0.929 2.429 weight 1.000 ! spec=HNH, no=897, id=737, vol=3.700000e+06
assign (resid 23 and name HN) (resid 24 and name HA) 4.033 2.034 3.534 weight 1.000 ! spec=HNH, no=899, id=739, vol=3.530000e+05
assign (resid 23 and name HN) (resid 20 and name HA) 3.363 1.414 2.914 weight 1.000 ! spec=HNH, no=903, id=743, vol=1.050000e+06
assign (resid 23 and name HN) (resid 21 and name HB2) 4.202 2.207 3.707 weight 1.000 ! spec=HNH, no=904, id=744, vol=2.760000e+05
assign (resid 23 and name HN) (resid 19 and name HA) 3.778 1.784 3.284 weight 1.000 ! spec=HNH, no=905, id=745, vol=5.230000e+05
assign (resid 23 and name HN) (resid 23 and name HB2) 2.720 0.925 2.425 weight 1.000 ! spec=HNH, no=912, id=752, vol=3.750000e+06
assign (resid 47 and name HN) (resid 46 and name HA) 2.421 0.733 2.233 weight 1.000 ! spec=HNH, no=919, id=759, vol=7.540000e+06
assign (resid 47 and name HN) (resid 46 and name HB) 2.355 0.693 2.193 weight 1.000 ! spec=HNH, no=921, id=761, vol=8.920000e+06
assign (resid 4 and name HN) (resid 4 and name HB1) 2.365 0.699 2.199 weight 1.000 ! spec=HNH, no=923, id=763, vol=8.690000e+06
assign (resid 47 and name HN) (resid 46 and name HG12) 2.771 0.960 2.46 weight 1.000 ! spec=HNH, no=927, id=767, vol=3.360000e+06
    or (resid   47 and name   HN) (resid   46 and name HG11)
    or (resid   47 and name   HN) (resid   46 and name HG13)
assign (resid 4 and name HN) (resid 3 and name HN) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=930, id=770, vol=2.030000e+06
assign (resid 4 and name HN) (resid 2 and name HA1) 3.180 1.264 2.764 weight 1.000 ! spec=HNH, no=935, id=774, vol=1.470000e+06
assign (resid 4 and name HN) (resid 4 and name HB2) 2.536 0.804 2.304 weight 1.000 ! spec=HNH, no=936, id=775, vol=5.710000e+06
assign (resid 86 and name HN) (resid 86 and name HA) 2.281 0.650 2.15 weight 1.000 ! spec=HNH, no=939, id=778, vol=1.080000e+07
assign (resid 86 and name HN) (resid 86 and name HB1) 2.356 0.694 2.194 weight 1.000 ! spec=HNH, no=944, id=783, vol=8.880000e+06
assign (resid 62 and name HN) (resid 63 and name HN) 2.731 0.933 2.433 weight 1.000 ! spec=HNH, no=946, id=785, vol=3.660000e+06
assign (resid 73 and name HN) (resid 75 and name HN) 3.553 1.578 3.078 weight 1.000 ! spec=HNH, no=947, id=786, vol=7.560000e+05
assign (resid 62 and name HN) (resid 60 and name HA) 3.995 1.995 3.495 weight 1.000 ! spec=HNH, no=949, id=788, vol=3.740000e+05
assign (resid 62 and name HN) (resid 60 and name HG21) 3.721 1.730 3.23 weight 1.000 ! spec=HNH, no=952, id=791, vol=5.730000e+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) 3.184 1.267 2.767 weight 1.000 ! spec=HNH, no=953, id=792, vol=1.460000e+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 11 and name HN) (resid 11 and name HA) 2.608 0.850 2.35 weight 1.000 ! spec=HNH, no=961, id=800, vol=4.830000e+06
assign (resid 11 and name HN) (resid 6 and name HB2) 2.503 0.783 2.283 weight 1.000 ! spec=HNH, no=962, id=801, vol=6.180000e+06
assign (resid 11 and name HN) (resid 6 and name HB1) 3.401 1.446 2.946 weight 1.000 ! spec=HNH, no=963, id=802, vol=9.820000e+05
assign (resid 11 and name HN) (resid 10 and name HB2) 2.930 1.073 2.573 weight 1.000 ! spec=HNH, no=964, id=803, vol=2.400000e+06
assign (resid 11 and name HN) (resid 10 and name HG2) 3.129 1.224 2.724 weight 1.000 ! spec=HNH, no=965, id=804, vol=1.620000e+06
    or (resid   11 and name   HN) (resid   10 and name  HG1)
assign (resid 11 and name HN) (resid 11 and name HB2) 2.558 0.818 2.318 weight 1.000 ! spec=HNH, no=966, id=805, vol=5.420000e+06
assign (resid 11 and name HN) (resid 11 and name HG) 2.584 0.834 2.334 weight 1.000 ! spec=HNH, no=967, id=806, vol=5.110000e+06
assign (resid 11 and name HN) (resid 12 and name HG1) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=968, id=807, vol=1.250000e+06
assign (resid 11 and name HN) (resid 11 and name HB1) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=969, id=808, vol=3.010000e+06
assign (resid 11 and name HN) (resid 11 and name HD22) 2.764 0.955 2.455 weight 1.000 ! spec=HNH, no=970, id=809, vol=3.410000e+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) 3.477 1.511 3.011 weight 1.000 ! spec=HNH, no=971, id=810, vol=8.600000e+05
    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) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=972, id=811, vol=3.610000e+05
assign (resid 59 and name HN) (resid 58 and name HN) 2.663 0.887 2.387 weight 1.000 ! spec=HNH, no=973, id=812, vol=4.260000e+06
assign (resid 58 and name HN) (resid 57 and name HN) 2.631 0.865 2.365 weight 1.000 ! spec=HNH, no=975, id=813, vol=4.580000e+06
assign (resid 58 and name HN) (resid 58 and name HD1) 3.074 1.181 2.681 weight 1.000 ! spec=HNH, no=977, id=815, vol=1.800000e+06
    or (resid   58 and name   HN) (resid   58 and name  HD2)
assign (resid 58 and name HN) (resid 56 and name HA) 3.642 1.658 3.158 weight 1.000 ! spec=HNH, no=979, id=817, vol=6.510000e+05
assign (resid 58 and name HN) (resid 57 and name HA) 3.313 1.372 2.872 weight 1.000 ! spec=HNH, no=981, id=819, vol=1.150000e+06
assign (resid 58 and name HN) (resid 58 and name HB1) 2.656 0.882 2.382 weight 1.000 ! spec=HNH, no=985, id=823, vol=4.330000e+06
assign (resid 58 and name HN) (resid 59 and name HB1) 3.801 1.806 3.306 weight 1.000 ! spec=HNH, no=987, id=825, vol=5.040000e+05
assign (resid 58 and name HN) (resid 61 and name HB1) 3.472 1.507 3.007 weight 1.000 ! spec=HNH, no=988, id=826, vol=8.670000e+05
assign (resid 58 and name HN) (resid 56 and name HB2) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=992, id=830, vol=9.240000e+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 60 and name HG21) 4.075 2.076 3.576 weight 1.000 ! spec=HNH, no=994, id=832, vol=3.320000e+05
    or (resid   58 and name   HN) (resid   60 and name HG22)
    or (resid   58 and name   HN) (resid   60 and name HG23)
assign (resid 58 and name HN) (resid 55 and name HG22) 3.685 1.697 3.197 weight 1.000 ! spec=HNH, no=995, id=833, vol=6.070000e+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) 3.637 1.653 3.153 weight 1.000 ! spec=HNH, no=997, id=835, vol=6.570000e+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 8 and name HN) (resid 10 and name HN) 3.659 1.674 3.174 weight 1.000 ! spec=HNH, no=999, id=837, vol=6.330000e+05
assign (resid 7 and name HN) (resid 10 and name HN) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=1000, id=838, vol=1.510000e+06
assign (resid 11 and name HN) (resid 10 and name HN) 2.511 0.788 2.288 weight 1.000 ! spec=HNH, no=1003, id=841, vol=6.060000e+06
assign (resid 10 and name HN) (resid 6 and name HA) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1007, id=844, vol=1.010000e+06
assign (resid 10 and name HN) (resid 7 and name HB2) 3.945 1.946 3.446 weight 1.000 ! spec=HNH, no=1008, id=845, vol=4.030000e+05
assign (resid 10 and name HN) (resid 7 and name HB1) 3.661 1.676 3.176 weight 1.000 ! spec=HNH, no=1009, id=846, vol=6.310000e+05
assign (resid 10 and name HN) (resid 10 and name HB2) 2.557 0.817 2.317 weight 1.000 ! spec=HNH, no=1015, id=851, vol=5.440000e+06
assign (resid 10 and name HN) (resid 10 and name HG2) 2.546 0.810 2.31 weight 1.000 ! spec=HNH, no=1016, id=852, vol=5.580000e+06
    or (resid   10 and name   HN) (resid   10 and name  HG1)
assign (resid 10 and name HN) (resid 10 and name HB1) 2.468 0.762 2.262 weight 1.000 ! spec=HNH, no=1018, id=854, vol=6.720000e+06
assign (resid 55 and name HN) (resid 51 and name HG) 4.124 2.126 3.626 weight 1.000 ! spec=HNH, no=1019, id=855, vol=3.090000e+05
assign (resid 10 and name HN) (resid 11 and name HD22) 3.726 1.735 3.235 weight 1.000 ! spec=HNH, no=1021, id=857, vol=5.680000e+05
    or (resid   10 and name   HN) (resid   11 and name HD21)
    or (resid   10 and name   HN) (resid   11 and name HD23)
assign (resid 58 and name HN) (resid 55 and name HN) 3.327 1.384 2.884 weight 1.000 ! spec=HNH, no=1026, id=862, vol=1.120000e+06
assign (resid 55 and name HN) (resid 58 and name HD1) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=1029, id=864, vol=4.700000e+05
    or (resid   55 and name   HN) (resid   58 and name  HD2)
assign (resid 55 and name HN) (resid 54 and name HA) 3.289 1.352 2.852 weight 1.000 ! spec=HNH, no=1033, id=868, vol=1.200000e+06
assign (resid 55 and name HN) (resid 51 and name HA) 3.945 1.946 3.446 weight 1.000 ! spec=HNH, no=1034, id=869, vol=4.030000e+05
assign (resid 55 and name HN) (resid 56 and name HA) 3.936 1.936 3.436 weight 1.000 ! spec=HNH, no=1035, id=870, vol=4.090000e+05
assign (resid 55 and name HN) (resid 52 and name HA2) 3.960 1.960 3.46 weight 1.000 ! spec=HNH, no=1036, id=871, vol=3.940000e+05
assign (resid 55 and name HN) (resid 58 and name HB1) 4.111 2.112 3.612 weight 1.000 ! spec=HNH, no=1038, id=873, vol=3.150000e+05
assign (resid 55 and name HN) (resid 54 and name HD1) 3.981 1.981 3.481 weight 1.000 ! spec=HNH, no=1039, id=874, vol=3.820000e+05
assign (resid 55 and name HN) (resid 53 and name HB2) 4.041 2.041 3.541 weight 1.000 ! spec=HNH, no=1040, id=875, vol=3.490000e+05
assign (resid 55 and name HN) (resid 53 and name HB1) 4.168 2.171 3.671 weight 1.000 ! spec=HNH, no=1041, id=876, vol=2.900000e+05
assign (resid 10 and name HN) (resid 8 and name HB2) 3.984 1.984 3.484 weight 1.000 ! spec=HNH, no=1042, id=877, vol=3.800000e+05
assign (resid 10 and name HN) (resid 11 and name HB2) 3.145 1.237 2.737 weight 1.000 ! spec=HNH, no=1043, id=878, vol=1.570000e+06
assign (resid 55 and name HN) (resid 55 and name HB) 2.539 0.806 2.306 weight 1.000 ! spec=HNH, no=1044, id=879, vol=5.670000e+06
assign (resid 55 and name HN) (resid 56 and name HB2) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=1046, id=881, vol=1.100000e+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 81 and name HE3) (resid 71 and name HB2) 3.810 1.814 3.314 weight 1.000 ! spec=HNH, no=1047, id=882, vol=4.970000e+05
assign (resid 55 and name HN) (resid 51 and name HB1) 3.723 1.732 3.232 weight 1.000 ! spec=HNH, no=1049, id=884, vol=5.710000e+05
assign (resid 55 and name HN) (resid 55 and name HG22) 2.897 1.049 2.549 weight 1.000 ! spec=HNH, no=1051, id=886, vol=2.570000e+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 55 and name HN) (resid 53 and name HN) 4.284 2.294 3.794 weight 1.000 ! spec=HNH, no=1060, id=895, vol=2.460000e+05
assign (resid 19 and name HN) (resid 17 and name HA) 4.332 2.346 3.846 weight 1.000 ! spec=HNH, no=1065, id=899, vol=2.300000e+05
assign (resid 19 and name HN) (resid 18 and name HG1) 3.594 1.615 3.115 weight 1.000 ! spec=HNH, no=1070, id=904, vol=7.050000e+05
assign (resid 19 and name HN) (resid 17 and name HG22) 3.506 1.536 3.036 weight 1.000 ! spec=HNH, no=1077, id=911, vol=8.190000e+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 16 and name HD22) 3.533 1.561 3.061 weight 1.000 ! spec=HNH, no=1080, id=914, vol=7.810000e+05
    or (resid   19 and name   HN) (resid   16 and name HD21)
    or (resid   19 and name   HN) (resid   16 and name HD23)
assign (resid 6 and name HN) (resid 4 and name HN) 3.396 1.442 2.942 weight 1.000 ! spec=HNH, no=1081, id=915, vol=9.910000e+05
assign (resid 6 and name HN) (resid 11 and name HN) 3.841 1.845 3.345 weight 1.000 ! spec=HNH, no=1082, id=916, vol=4.730000e+05
assign (resid 6 and name HN) (resid 5 and name HN) 2.328 0.678 2.178 weight 1.000 ! spec=HNH, no=1083, id=917, vol=9.540000e+06
assign (resid 6 and name HN) (resid 6 and name HD1) 2.632 0.866 2.366 weight 1.000 ! spec=HNH, no=1085, id=918, vol=4.570000e+06
    or (resid    6 and name   HN) (resid    6 and name  HD2)
assign (resid 6 and name HN) (resid 6 and name HE1) 3.139 1.231 2.731 weight 1.000 ! spec=HNH, no=1086, id=919, vol=1.590000e+06
    or (resid    6 and name   HN) (resid    6 and name  HE2)
assign (resid 6 and name HN) (resid 6 and name HA) 2.689 0.904 2.404 weight 1.000 ! spec=HNH, no=1087, id=920, vol=4.020000e+06
assign (resid 76 and name HE3) (resid 69 and name HA) 3.848 1.851 3.351 weight 1.000 ! spec=HNH, no=1088, id=921, vol=4.680000e+05
assign (resid 6 and name HN) (resid 5 and name HA) 2.617 0.856 2.356 weight 1.000 ! spec=HNH, no=1089, id=922, vol=4.730000e+06
assign (resid 6 and name HN) (resid 2 and name HA1) 3.528 1.556 3.056 weight 1.000 ! spec=HNH, no=1090, id=923, vol=7.880000e+05
assign (resid 6 and name HN) (resid 5 and name HB2) 2.827 0.999 2.499 weight 1.000 ! spec=HNH, no=1094, id=927, vol=2.980000e+06
    or (resid    6 and name   HN) (resid    5 and name  HB1)
assign (resid 6 and name HN) (resid 5 and name HG1) 2.930 1.073 2.573 weight 1.000 ! spec=HNH, no=1096, id=929, vol=2.400000e+06
assign (resid 6 and name HN) (resid 11 and name HG) 3.299 1.360 2.86 weight 1.000 ! spec=HNH, no=1097, id=930, vol=1.180000e+06
assign (resid 14 and name HN) (resid 11 and name HN) 3.566 1.590 3.09 weight 1.000 ! spec=HNH, no=1101, id=934, vol=7.390000e+05
assign (resid 14 and name HN) (resid 14 and name HA) 2.716 0.922 2.422 weight 1.000 ! spec=HNH, no=1104, id=936, vol=3.790000e+06
assign (resid 14 and name HN) (resid 12 and name HA) 3.049 1.162 2.662 weight 1.000 ! spec=HNH, no=1105, id=937, vol=1.890000e+06
assign (resid 14 and name HN) (resid 14 and name HB2) 2.328 0.677 2.177 weight 1.000 ! spec=HNH, no=1108, id=940, vol=9.550000e+06
    or (resid   14 and name   HN) (resid   14 and name  HB1)
assign (resid 14 and name HN) (resid 11 and name HB1) 4.119 2.121 3.621 weight 1.000 ! spec=HNH, no=1112, id=944, vol=3.110000e+05
assign (resid 14 and name HN) (resid 12 and name HN) 3.250 1.320 2.82 weight 1.000 ! spec=HNH, no=1113, id=945, vol=1.290000e+06
assign (resid 81 and name HN) (resid 82 and name HN) 2.474 0.765 2.265 weight 1.000 ! spec=HNH, no=1117, id=949, vol=6.630000e+06
assign (resid 81 and name HN) (resid 82 and name HA) 3.707 1.717 3.217 weight 1.000 ! spec=HNH, no=1122, id=952, vol=5.860000e+05
assign (resid 81 and name HN) (resid 78 and name HA) 3.904 1.906 3.406 weight 1.000 ! spec=HNH, no=1125, id=955, vol=4.290000e+05
assign (resid 81 and name HN) (resid 79 and name HA) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=1128, id=958, vol=8.550000e+05
assign (resid 81 and name HN) (resid 81 and name HB2) 2.831 1.002 2.502 weight 1.000 ! spec=HNH, no=1130, id=960, vol=2.950000e+06
assign (resid 81 and name HN) (resid 81 and name HB1) 2.924 1.069 2.569 weight 1.000 ! spec=HNH, no=1131, id=961, vol=2.430000e+06
assign (resid 81 and name HN) (resid 78 and name HB2) 3.353 1.405 2.905 weight 1.000 ! spec=HNH, no=1133, id=963, vol=1.070000e+06
assign (resid 81 and name HN) (resid 78 and name HD12) 3.454 1.491 2.991 weight 1.000 ! spec=HNH, no=1134, id=964, vol=8.950000e+05
    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 HN) (resid 78 and name HG) 3.967 1.967 3.467 weight 1.000 ! spec=HNH, no=1135, id=965, vol=3.900000e+05
assign (resid 81 and name HN) (resid 78 and name HD22) 3.821 1.825 3.325 weight 1.000 ! spec=HNH, no=1136, id=966, vol=4.880000e+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 20 and name HN) (resid 18 and name HN) 3.173 1.258 2.758 weight 1.000 ! spec=HNH, no=1138, id=968, vol=1.490000e+06
assign (resid 18 and name HN) (resid 22 and name HN) 4.234 2.240 3.74 weight 1.000 ! spec=HNH, no=1140, id=970, vol=2.640000e+05
assign (resid 19 and name HN) (resid 18 and name HN) 2.659 0.884 2.384 weight 1.000 ! spec=HNH, no=1141, id=971, vol=4.300000e+06
assign (resid 18 and name HN) (resid 15 and name HA) 3.716 1.726 3.226 weight 1.000 ! spec=HNH, no=1145, id=974, vol=5.770000e+05
assign (resid 18 and name HN) (resid 17 and name HA) 3.229 1.304 2.804 weight 1.000 ! spec=HNH, no=1147, id=976, vol=1.340000e+06
assign (resid 18 and name HN) (resid 18 and name HG1) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=1153, id=981, vol=2.830000e+06
assign (resid 18 and name HN) (resid 14 and name HB2) 3.543 1.569 3.069 weight 1.000 ! spec=HNH, no=1156, id=984, vol=7.690000e+05
    or (resid   18 and name   HN) (resid   14 and name  HB1)
assign (resid 18 and name HN) (resid 19 and name HB) 3.425 1.466 2.966 weight 1.000 ! spec=HNH, no=1157, id=985, vol=9.420000e+05
assign (resid 18 and name HN) (resid 19 and name HG12) 3.303 1.364 2.864 weight 1.000 ! spec=HNH, no=1158, id=986, vol=1.170000e+06
assign (resid 18 and name HN) (resid 17 and name HG22) 2.657 0.882 2.382 weight 1.000 ! spec=HNH, no=1160, id=988, vol=4.320000e+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 18 and name HN) (resid 19 and name HD12) 3.221 1.297 2.797 weight 1.000 ! spec=HNH, no=1161, id=989, vol=1.360000e+06
    or (resid   18 and name   HN) (resid   19 and name HD11)
    or (resid   18 and name   HN) (resid   19 and name HD13)
assign (resid 18 and name HN) (resid 16 and name HD22) 3.751 1.758 3.258 weight 1.000 ! spec=HNH, no=1162, id=990, vol=5.460000e+05
    or (resid   18 and name   HN) (resid   16 and name HD21)
    or (resid   18 and name   HN) (resid   16 and name HD23)
assign (resid 18 and name HN) (resid 40 and name HD12) 4.301 2.313 3.813 weight 1.000 ! spec=HNH, no=1163, id=991, vol=2.400000e+05
    or (resid   18 and name   HN) (resid   40 and name HD11)
    or (resid   18 and name   HN) (resid   40 and name HD13)
assign (resid 15 and name HN) (resid 16 and name HN) 3.098 1.200 2.7 weight 1.000 ! spec=HNH, no=1165, id=992, vol=1.720000e+06
assign (resid 14 and name HN) (resid 15 and name HN) 3.155 1.245 2.745 weight 1.000 ! spec=HNH, no=1166, id=993, vol=1.540000e+06
assign (resid 15 and name HN) (resid 18 and name HN) 3.489 1.521 3.021 weight 1.000 ! spec=HNH, no=1167, id=994, vol=8.430000e+05
assign (resid 15 and name HN) (resid 19 and name HN) 4.190 2.194 3.694 weight 1.000 ! spec=HNH, no=1168, id=995, vol=2.810000e+05
assign (resid 15 and name HN) (resid 18 and name HA) 4.083 2.084 3.584 weight 1.000 ! spec=HNH, no=1172, id=999, vol=3.280000e+05
assign (resid 15 and name HN) (resid 18 and name HG2) 3.089 1.193 2.693 weight 1.000 ! spec=HNH, no=1173, id=1000, vol=1.750000e+06
assign (resid 15 and name HN) (resid 18 and name HG1) 3.397 1.442 2.942 weight 1.000 ! spec=HNH, no=1175, id=1002, vol=9.890000e+05
assign (resid 15 and name HN) (resid 18 and name HB2) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=1176, id=1003, vol=1.080000e+06
assign (resid 15 and name HN) (resid 18 and name HB1) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=1177, id=1004, vol=1.080000e+06
assign (resid 15 and name HN) (resid 19 and name HG12) 3.611 1.630 3.13 weight 1.000 ! spec=HNH, no=1180, id=1007, vol=6.860000e+05
assign (resid 15 and name HN) (resid 17 and name HG22) 3.546 1.571 3.071 weight 1.000 ! spec=HNH, no=1182, id=1009, vol=7.650000e+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 19 and name HD12) 3.519 1.548 3.048 weight 1.000 ! spec=HNH, no=1183, id=1010, vol=8.010000e+05
    or (resid   15 and name   HN) (resid   19 and name HD11)
    or (resid   15 and name   HN) (resid   19 and name HD13)
assign (resid 71 and name HN) (resid 69 and name HA) 4.135 2.137 3.637 weight 1.000 ! spec=HNH, no=1210, id=1014, vol=3.040000e+05
assign (resid 71 and name HN) (resid 71 and name HB2) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=1212, id=1016, vol=1.250000e+06
assign (resid 71 and name HN) (resid 71 and name HB1) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=1213, id=1017, vol=9.240000e+05
assign (resid 71 and name HN) (resid 75 and name HG21) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=1215, id=1019, vol=3.730000e+05
    or (resid   71 and name   HN) (resid   75 and name HG22)
    or (resid   71 and name   HN) (resid   75 and name HG23)
assign (resid 71 and name HN) (resid 71 and name HD12) 3.166 1.253 2.753 weight 1.000 ! spec=HNH, no=1216, id=1020, vol=1.510000e+06
    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 HN) (resid 70 and name HB2) 3.001 1.126 2.626 weight 1.000 ! spec=HNH, no=1218, id=1022, vol=2.080000e+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 64 and name HN) 2.941 1.081 2.581 weight 1.000 ! spec=HNH, no=1221, id=1024, vol=2.350000e+06
assign (resid 65 and name HN) (resid 65 and name HB2) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=1225, id=1028, vol=1.480000e+06
assign (resid 65 and name HN) (resid 64 and name HG22) 3.653 1.668 3.168 weight 1.000 ! spec=HNH, no=1227, id=1030, vol=6.400000e+05
    or (resid   65 and name   HN) (resid   64 and name HG21)
    or (resid   65 and name   HN) (resid   64 and name HG23)
assign (resid 65 and name HN) (resid 64 and name HG12) 3.577 1.599 3.099 weight 1.000 ! spec=HNH, no=1228, id=1031, vol=7.260000e+05
assign (resid 65 and name HN) (resid 87 and name HD22) 4.147 2.149 3.649 weight 1.000 ! spec=HNH, no=1229, id=1032, vol=2.990000e+05
    or (resid   65 and name   HN) (resid   87 and name HD21)
    or (resid   65 and name   HN) (resid   87 and name HD23)
assign (resid 43 and name HN) (resid 41 and name HN) 3.733 1.742 3.242 weight 1.000 ! spec=HNH, no=1230, id=1033, vol=5.620000e+05
assign (resid 43 and name HN) (resid 42 and name HA) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=1234, id=1036, vol=1.760000e+06
assign (resid 43 and name HN) (resid 42 and name HB2) 2.672 0.892 2.392 weight 1.000 ! spec=HNH, no=1236, id=1038, vol=4.180000e+06
    or (resid   43 and name   HN) (resid   42 and name  HB1)
assign (resid 43 and name HN) (resid 41 and name HA) 3.858 1.860 3.36 weight 1.000 ! spec=HNH, no=1237, id=1039, vol=4.610000e+05
assign (resid 43 and name HN) (resid 45 and name HA2) 4.030 2.030 3.53 weight 1.000 ! spec=HNH, no=1238, id=1040, vol=3.550000e+05
assign (resid 43 and name HN) (resid 43 and name HB1) 2.710 0.918 2.418 weight 1.000 ! spec=HNH, no=1246, id=1048, vol=3.840000e+06
assign (resid 43 and name HN) (resid 41 and name HB2) 3.503 1.534 3.034 weight 1.000 ! spec=HNH, no=1247, id=1049, vol=8.220000e+05
    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) 2.647 0.876 2.376 weight 1.000 ! spec=HNH, no=1248, id=1050, vol=4.420000e+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) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=1254, id=1055, vol=2.030000e+06
assign (resid 36 and name HN) (resid 35 and name HN) 2.613 0.854 2.354 weight 1.000 ! spec=HNH, no=1255, id=1056, vol=4.770000e+06
assign (resid 36 and name HN) (resid 58 and name HE1) 4.292 2.303 3.803 weight 1.000 ! spec=HNH, no=1256, id=1057, vol=2.430000e+05
    or (resid   36 and name   HN) (resid   58 and name  HE2)
assign (resid 36 and name HN) (resid 36 and name HA) 2.909 1.058 2.558 weight 1.000 ! spec=HNH, no=1257, id=1058, vol=2.510000e+06
assign (resid 36 and name HN) (resid 34 and name HA) 3.862 1.864 3.364 weight 1.000 ! spec=HNH, no=1258, id=1059, vol=4.580000e+05
assign (resid 36 and name HN) (resid 37 and name HA) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=1259, id=1060, vol=3.890000e+05
assign (resid 36 and name HN) (resid 32 and name HB2) 4.047 2.047 3.547 weight 1.000 ! spec=HNH, no=1260, id=1061, vol=3.460000e+05
assign (resid 36 and name HN) (resid 35 and name HG1) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=1261, id=1062, vol=1.370000e+06
assign (resid 36 and name HN) (resid 31 and name HB) 3.258 1.327 2.827 weight 1.000 ! spec=HNH, no=1262, id=1063, vol=1.270000e+06
assign (resid 36 and name HN) (resid 36 and name HB1) 2.768 0.958 2.458 weight 1.000 ! spec=HNH, no=1265, id=1066, vol=3.380000e+06
assign (resid 36 and name HN) (resid 37 and name HB2) 3.650 1.665 3.165 weight 1.000 ! spec=HNH, no=1267, id=1068, vol=6.430000e+05
assign (resid 36 and name HN) (resid 37 and name HB1) 3.606 1.626 3.126 weight 1.000 ! spec=HNH, no=1268, id=1069, vol=6.910000e+05
assign (resid 36 and name HN) (resid 31 and name HG22) 2.879 1.036 2.536 weight 1.000 ! spec=HNH, no=1269, id=1070, vol=2.670000e+06
    or (resid   36 and name   HN) (resid   31 and name HG21)
    or (resid   36 and name   HN) (resid   31 and name HG23)
assign (resid 56 and name HN) (resid 55 and name HN) 2.762 0.954 2.454 weight 1.000 ! spec=HNH, no=1274, id=1075, vol=3.420000e+06
assign (resid 125 and name HN) (resid 124 and name HA) 2.030 0.515 2.015 weight 1.000 ! spec=HNH, no=1276, id=1077, vol=2.170000e+07
assign (resid 79 and name HN) (resid 78 and name HN) 3.399 1.444 2.944 weight 1.000 ! spec=HNH, no=1278, id=1079, vol=9.860000e+05
assign (resid 56 and name HN) (resid 55 and name HB) 2.645 0.874 2.374 weight 1.000 ! spec=HNH, no=1282, id=1083, vol=4.440000e+06
assign (resid 56 and name HN) (resid 37 and name HD22) 3.467 1.503 3.003 weight 1.000 ! spec=HNH, no=1287, id=1088, vol=8.750000e+05
    or (resid   56 and name   HN) (resid   37 and name HD21)
    or (resid   56 and name   HN) (resid   37 and name HD23)
    or (resid   56 and name   HN) (resid   37 and name HD12)
    or (resid   56 and name   HN) (resid   37 and name HD11)
    or (resid   56 and name   HN) (resid   37 and name HD13)
assign (resid 79 and name HN) (resid 78 and name HG) 3.835 1.838 3.338 weight 1.000 ! spec=HNH, no=1289, id=1090, vol=4.780000e+05
assign (resid 153 and name HN) (resid 153 and name HG22) 3.077 1.184 2.684 weight 1.000 ! spec=HNH, no=1290, id=1091, vol=1.790000e+06
    or (resid  153 and name   HN) (resid  153 and name HG21)
    or (resid  153 and name   HN) (resid  153 and name HG23)
assign (resid 112 and name HN) (resid 115 and name HN) 2.270 0.644 2.144 weight 1.000 ! spec=HNH, no=1295, id=1095, vol=1.110000e+07
assign (resid 112 and name HN) (resid 111 and name HA) 1.690 0.357 1.857 weight 1.000 ! spec=HNH, no=1298, id=1098, vol=6.520000e+07
assign (resid 110 and name HN) (resid 108 and name HG2) 3.403 1.448 2.948 weight 1.000 ! spec=HNH, no=1313, id=1107, vol=9.780000e+05
    or (resid  110 and name   HN) (resid  108 and name  HG1)
assign (resid 110 and name HN) (resid 108 and name HB2) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1314, id=1108, vol=1.010000e+06
assign (resid 110 and name HN) (resid 108 and name HB1) 3.229 1.304 2.804 weight 1.000 ! spec=HNH, no=1315, id=1109, vol=1.340000e+06
assign (resid 38 and name HD21) (resid 39 and name HN) 3.184 1.267 2.767 weight 1.000 ! spec=HNH, no=1320, id=1113, vol=1.460000e+06
assign (resid 39 and name HN) (resid 38 and name HN) 2.696 0.908 2.408 weight 1.000 ! spec=HNH, no=1321, id=1114, vol=3.960000e+06
assign (resid 128 and name HN) (resid 127 and name HA) 1.828 0.417 1.917 weight 1.000 ! spec=HNH, no=1323, id=1116, vol=4.080000e+07
assign (resid 39 and name HN) (resid 37 and name HA) 3.512 1.542 3.042 weight 1.000 ! spec=HNH, no=1325, id=1118, vol=8.100000e+05
assign (resid 39 and name HN) (resid 38 and name HB2) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=1326, id=1119, vol=3.520000e+06
assign (resid 39 and name HN) (resid 38 and name HB1) 3.011 1.133 2.633 weight 1.000 ! spec=HNH, no=1327, id=1120, vol=2.040000e+06
assign (resid 128 and name HN) (resid 127 and name HG2) 2.801 0.980 2.48 weight 1.000 ! spec=HNH, no=1329, id=1122, vol=3.150000e+06
    or (resid  128 and name   HN) (resid  127 and name  HG1)
assign (resid 157 and name HN) (resid 157 and name HB) 2.223 0.618 2.118 weight 1.000 ! spec=HNH, no=1331, id=1124, vol=1.260000e+07
assign (resid 39 and name HN) (resid 40 and name HB) 3.233 1.307 2.807 weight 1.000 ! spec=HNH, no=1332, id=1125, vol=1.330000e+06
assign (resid 39 and name HN) (resid 37 and name HB1) 3.677 1.690 3.19 weight 1.000 ! spec=HNH, no=1333, id=1126, vol=6.150000e+05
assign (resid 108 and name HN) (resid 108 and name HB1) 2.247 0.631 2.131 weight 1.000 ! spec=HNH, no=1341, id=1133, vol=1.180000e+07
assign (resid 90 and name HN) (resid 89 and name HA) 1.927 0.464 1.964 weight 1.000 ! spec=HNH, no=1345, id=1137, vol=2.970000e+07
assign (resid 90 and name HN) (resid 89 and name HB2) 2.453 0.752 2.252 weight 1.000 ! spec=HNH, no=1349, id=1141, vol=6.980000e+06
assign (resid 88 and name HN) (resid 84 and name HB1) 3.396 1.442 2.942 weight 1.000 ! spec=HNH, no=1352, id=1144, vol=9.910000e+05
assign (resid 16 and name HN) (resid 17 and name HN) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=1355, id=1147, vol=2.850000e+06
assign (resid 18 and name HN) (resid 16 and name HN) 3.407 1.451 2.951 weight 1.000 ! spec=HNH, no=1359, id=1151, vol=9.710000e+05
assign (resid 19 and name HN) (resid 16 and name HN) 3.984 1.984 3.484 weight 1.000 ! spec=HNH, no=1360, id=1152, vol=3.800000e+05
assign (resid 16 and name HN) (resid 58 and name HE1) 3.789 1.794 3.294 weight 1.000 ! spec=HNH, no=1361, id=1153, vol=5.140000e+05
    or (resid   16 and name   HN) (resid   58 and name  HE2)
assign (resid 16 and name HN) (resid 15 and name HA) 1.765 0.390 1.89 weight 1.000 ! spec=HNH, no=1362, id=1154, vol=5.020000e+07
assign (resid 131 and name HN) (resid 131 and name HG2) 2.600 0.845 2.345 weight 1.000 ! spec=HNH, no=1367, id=1159, vol=4.920000e+06
    or (resid  131 and name   HN) (resid  131 and name  HG1)
assign (resid 16 and name HN) (resid 16 and name HB2) 2.819 0.993 2.493 weight 1.000 ! spec=HNH, no=1368, id=1160, vol=3.030000e+06
assign (resid 16 and name HN) (resid 15 and name HB2) 2.556 0.817 2.317 weight 1.000 ! spec=HNH, no=1369, id=1161, vol=5.450000e+06
    or (resid   16 and name   HN) (resid   15 and name  HB1)
    or (resid   16 and name   HN) (resid   15 and name  HB3)
assign (resid 16 and name HN) (resid 16 and name HG) 2.623 0.860 2.36 weight 1.000 ! spec=HNH, no=1370, id=1162, vol=4.670000e+06
assign (resid 16 and name HN) (resid 17 and name HG22) 3.176 1.261 2.761 weight 1.000 ! spec=HNH, no=1376, id=1168, vol=1.480000e+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 16 and name HN) (resid 16 and name HD12) 2.773 0.961 2.461 weight 1.000 ! spec=HNH, no=1379, id=1171, vol=3.340000e+06
    or (resid   16 and name   HN) (resid   16 and name HD11)
    or (resid   16 and name   HN) (resid   16 and name HD13)
assign (resid 63 and name HN) (resid 63 and name HB2) 2.808 0.986 2.486 weight 1.000 ! spec=HNH, no=1398, id=1188, vol=3.100000e+06
assign (resid 63 and name HN) (resid 63 and name HB1) 2.817 0.992 2.492 weight 1.000 ! spec=HNH, no=1399, id=1189, vol=3.040000e+06
assign (resid 63 and name HN) (resid 64 and name HG11) 3.716 1.726 3.226 weight 1.000 ! spec=HNH, no=1400, id=1190, vol=5.770000e+05
assign (resid 63 and name HN) (resid 60 and name HG21) 3.738 1.747 3.247 weight 1.000 ! spec=HNH, no=1401, id=1191, vol=5.570000e+05
    or (resid   63 and name   HN) (resid   60 and name HG22)
    or (resid   63 and name   HN) (resid   60 and name HG23)
assign (resid 63 and name HN) (resid 17 and name HG22) 4.137 2.140 3.64 weight 1.000 ! spec=HNH, no=1402, id=1192, vol=3.030000e+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) 3.655 1.669 3.169 weight 1.000 ! spec=HNH, no=1403, id=1193, vol=6.380000e+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 64 and name HD12) 3.962 1.962 3.462 weight 1.000 ! spec=HNH, no=1404, id=1194, vol=3.930000e+05
    or (resid   63 and name   HN) (resid   64 and name HD11)
    or (resid   63 and name   HN) (resid   64 and name HD13)
assign (resid 152 and name HN) (resid 154 and name HN) 2.453 0.752 2.252 weight 1.000 ! spec=HNH, no=1409, id=1199, vol=6.980000e+06
assign (resid 152 and name HN) (resid 152 and name HA) 1.998 0.499 1.999 weight 1.000 ! spec=HNH, no=1414, id=1204, vol=2.390000e+07
assign (resid 113 and name HN) (resid 115 and name HB1) 3.276 1.341 2.841 weight 1.000 ! spec=HNH, no=1420, id=1210, vol=1.230000e+06
assign (resid 127 and name HN) (resid 126 and name HB1) 2.291 0.656 2.156 weight 1.000 ! spec=HNH, no=1423, id=1213, vol=1.050000e+07
assign (resid 40 and name HN) (resid 40 and name HB) 2.636 0.869 2.369 weight 1.000 ! spec=HNH, no=1430, id=1220, vol=4.530000e+06
assign (resid 89 and name HN) (resid 89 and name HG2) 2.958 1.094 2.594 weight 1.000 ! spec=HNH, no=1431, id=1221, vol=2.270000e+06
    or (resid   89 and name   HN) (resid   89 and name  HG1)
assign (resid 149 and name HN) (resid 57 and name HG1) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=1432, id=1222, vol=1.060000e+06
assign (resid 40 and name HN) (resid 40 and name HG11) 2.697 0.909 2.409 weight 1.000 ! spec=HNH, no=1434, id=1224, vol=3.950000e+06
assign (resid 40 and name HN) (resid 23 and name HD22) 2.779 0.965 2.465 weight 1.000 ! spec=HNH, no=1435, id=1225, vol=3.300000e+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 HE21) 3.501 1.532 3.032 weight 1.000 ! spec=HNH, no=1437, id=1227, vol=8.260000e+05
assign (resid 11 and name HN) (resid 9 and name HB2) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1445, id=1234, vol=1.010000e+06
assign (resid 108 and name HN) (resid 108 and name HG2) 2.618 0.857 2.357 weight 1.000 ! spec=HNH, no=1446, id=1235, vol=4.720000e+06
    or (resid  108 and name   HN) (resid  108 and name  HG1)
assign (resid 79 and name HN) (resid 69 and name HN) 3.412 1.455 2.955 weight 1.000 ! spec=HNH, no=1448, id=1237, vol=9.630000e+05
assign (resid 79 and name HN) (resid 78 and name HB1) 3.623 1.641 3.141 weight 1.000 ! spec=HNH, no=1455, id=1243, vol=6.720000e+05
assign (resid 73 and name HN) (resid 72 and name HB1) 3.113 1.211 2.711 weight 1.000 ! spec=HNH, no=1456, id=1244, vol=1.670000e+06
assign (resid 52 and name HN) (resid 48 and name HA) 3.701 1.713 3.213 weight 1.000 ! spec=HNH, no=1478, id=1248, vol=5.910000e+05
assign (resid 86 and name HE21) (resid 86 and name HA) 3.652 1.667 3.167 weight 1.000 ! spec=HNH, no=1485, id=1252, vol=6.410000e+05
assign (resid 38 and name HD21) (resid 48 and name HD2) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=1489, id=1256, vol=3.890000e+05
    or (resid   38 and name HD21) (resid   48 and name  HD1)
assign (resid 5 and name HE21) (resid 4 and name HA) 3.738 1.747 3.247 weight 1.000 ! spec=HNH, no=1493, id=1259, vol=5.570000e+05
assign (resid 31 and name HN) (resid 76 and name HB2) 3.895 1.897 3.397 weight 1.000 ! spec=HNH, no=1501, id=1260, vol=4.350000e+05
    or (resid   31 and name   HN) (resid   76 and name  HB1)
assign (resid 31 and name HN) (resid 77 and name HA1) 4.140 2.142 3.642 weight 1.000 ! spec=HNH, no=1503, id=1262, vol=3.020000e+05
assign (resid 31 and name HN) (resid 32 and name HD2) 4.472 2.500 4 weight 1.000 ! spec=HNH, no=1504, id=1263, vol=1.900000e+05
assign (resid 31 and name HN) (resid 81 and name HZ3) 4.165 2.169 3.669 weight 1.000 ! spec=HNH, no=1505, id=1264, vol=2.910000e+05
assign (resid 31 and name HN) (resid 76 and name HD1) 4.662 2.717 4.217 weight 1.000 ! spec=HNH, no=1508, id=1267, vol=1.480000e+05
assign (resid 21 and name HN) (resid 20 and name HA) 3.543 1.569 3.069 weight 1.000 ! spec=HNH, no=1509, id=1268, vol=7.680000e+05
assign (resid 21 and name HN) (resid 21 and name HA) 2.893 1.047 2.547 weight 1.000 ! spec=HNH, no=1511, id=1270, vol=2.590000e+06
assign (resid 21 and name HN) (resid 22 and name HG2) 3.871 1.873 3.373 weight 1.000 ! spec=HNH, no=1512, id=1271, vol=4.520000e+05
assign (resid 21 and name HN) (resid 18 and name HB2) 3.712 1.722 3.222 weight 1.000 ! spec=HNH, no=1513, id=1272, vol=5.810000e+05
assign (resid 21 and name HN) (resid 17 and name HG22) 3.614 1.633 3.133 weight 1.000 ! spec=HNH, no=1514, id=1273, vol=6.820000e+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 78 and name HD12) 4.338 2.353 3.853 weight 1.000 ! spec=HNH, no=1518, id=1277, vol=2.280000e+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 27 and name HN) (resid 31 and name HG22) 4.045 2.045 3.545 weight 1.000 ! spec=HNH, no=1520, id=1279, vol=3.470000e+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 27 and name HN) (resid 28 and name HB2) 3.855 1.858 3.358 weight 1.000 ! spec=HNH, no=1522, id=1281, vol=4.630000e+05
assign (resid 27 and name HN) (resid 25 and name HG2) 4.133 2.135 3.635 weight 1.000 ! spec=HNH, no=1525, id=1284, vol=3.050000e+05
    or (resid   27 and name   HN) (resid   25 and name  HG1)
assign (resid 25 and name HN) (resid 27 and name HN) 3.997 1.997 3.497 weight 1.000 ! spec=HNH, no=1526, id=1285, vol=3.730000e+05
assign (resid 9 and name HN) (resid 7 and name HN) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=1531, id=1289, vol=4.240000e+05
assign (resid 9 and name HN) (resid 11 and name HN) 3.206 1.285 2.785 weight 1.000 ! spec=HNH, no=1532, id=1290, vol=1.400000e+06
assign (resid 10 and name HN) (resid 9 and name HN) 2.506 0.785 2.285 weight 1.000 ! spec=HNH, no=1535, id=1292, vol=6.130000e+06
assign (resid 72 and name HN) (resid 71 and name HD22) 3.303 1.364 2.864 weight 1.000 ! spec=HNH, no=1541, id=1298, vol=1.170000e+06
    or (resid   72 and name   HN) (resid   71 and name HD21)
    or (resid   72 and name   HN) (resid   71 and name HD23)
assign (resid 72 and name HN) (resid 71 and name HD12) 3.739 1.748 3.248 weight 1.000 ! spec=HNH, no=1542, id=1299, vol=5.560000e+05
    or (resid   72 and name   HN) (resid   71 and name HD11)
    or (resid   72 and name   HN) (resid   71 and name HD13)
assign (resid 64 and name HN) (resid 63 and name HB1) 3.452 1.490 2.99 weight 1.000 ! spec=HNH, no=1545, id=1301, vol=8.980000e+05
assign (resid 64 and name HN) (resid 63 and name HB2) 3.342 1.396 2.896 weight 1.000 ! spec=HNH, no=1546, id=1302, vol=1.090000e+06
assign (resid 64 and name HN) (resid 65 and name HB2) 4.195 2.199 3.699 weight 1.000 ! spec=HNH, no=1548, id=1304, vol=2.790000e+05
assign (resid 64 and name HN) (resid 62 and name HA) 3.875 1.877 3.377 weight 1.000 ! spec=HNH, no=1549, id=1305, vol=4.490000e+05
assign (resid 64 and name HN) (resid 60 and name HA) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=1550, id=1306, vol=3.610000e+05
assign (resid 12 and name HN) (resid 44 and name HA) 3.940 1.941 3.441 weight 1.000 ! spec=HNH, no=1554, id=1309, vol=4.060000e+05
assign (resid 12 and name HN) (resid 12 and name HB1) 2.274 0.646 2.146 weight 1.000 ! spec=HNH, no=1560, id=1315, vol=1.100000e+07
assign (resid 12 and name HN) (resid 11 and name HD22) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=1561, id=1316, vol=1.520000e+06
    or (resid   12 and name   HN) (resid   11 and name HD21)
    or (resid   12 and name   HN) (resid   11 and name HD23)
assign (resid 12 and name HN) (resid 44 and name HD22) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=1562, id=1317, vol=1.960000e+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 12 and name HG1) 3.363 1.414 2.914 weight 1.000 ! spec=HNH, no=1565, id=1320, vol=1.050000e+06
assign (resid 13 and name HN) (resid 11 and name HB1) 4.275 2.284 3.784 weight 1.000 ! spec=HNH, no=1566, id=1321, vol=2.490000e+05
assign (resid 13 and name HN) (resid 13 and name HB1) 2.435 0.741 2.241 weight 1.000 ! spec=HNH, no=1568, id=1323, vol=7.300000e+06
assign (resid 35 and name HN) (resid 37 and name HB1) 3.865 1.867 3.367 weight 1.000 ! spec=HNH, no=1571, id=1326, vol=4.560000e+05
assign (resid 35 and name HN) (resid 36 and name HB1) 3.569 1.592 3.092 weight 1.000 ! spec=HNH, no=1573, id=1328, vol=7.360000e+05
assign (resid 35 and name HN) (resid 23 and name HG) 4.551 2.589 4.089 weight 1.000 ! spec=HNH, no=1574, id=1329, vol=1.710000e+05
assign (resid 35 and name HN) (resid 38 and name HN) 3.432 1.472 2.972 weight 1.000 ! spec=HNH, no=1579, id=1334, vol=9.300000e+05
assign (resid 29 and name HN) (resid 81 and name HZ3) 3.725 1.734 3.234 weight 1.000 ! spec=HNH, no=1580, id=1335, vol=5.690000e+05
assign (resid 29 and name HN) (resid 24 and name HB1) 4.168 2.171 3.671 weight 1.000 ! spec=HNH, no=1582, id=1337, vol=2.900000e+05
assign (resid 29 and name HN) (resid 27 and name HB1) 2.884 1.040 2.54 weight 1.000 ! spec=HNH, no=1583, id=1338, vol=2.640000e+06
assign (resid 29 and name HN) (resid 29 and name HB1) 2.805 0.984 2.484 weight 1.000 ! spec=HNH, no=1588, id=1343, vol=3.120000e+06
assign (resid 82 and name HN) (resid 79 and name HG2) 4.075 2.076 3.576 weight 1.000 ! spec=HNH, no=1590, id=1345, vol=3.320000e+05
assign (resid 82 and name HN) (resid 79 and name HA) 3.535 1.562 3.062 weight 1.000 ! spec=HNH, no=1595, id=1350, vol=7.790000e+05
assign (resid 26 and name HN) (resid 25 and name HG2) 3.500 1.531 3.031 weight 1.000 ! spec=HNH, no=1608, id=1362, vol=8.270000e+05
    or (resid   26 and name   HN) (resid   25 and name  HG1)
assign (resid 26 and name HN) (resid 26 and name HA) 2.659 0.884 2.384 weight 1.000 ! spec=HNH, no=1611, id=1365, vol=4.300000e+06
assign (resid 26 and name HN) (resid 28 and name HA) 4.113 2.114 3.614 weight 1.000 ! spec=HNH, no=1614, id=1368, vol=3.140000e+05
assign (resid 26 and name HN) (resid 24 and name HA) 3.641 1.657 3.157 weight 1.000 ! spec=HNH, no=1616, id=1370, vol=6.520000e+05
assign (resid 27 and name HN) (resid 26 and name HN) 2.615 0.855 2.355 weight 1.000 ! spec=HNH, no=1619, id=1372, vol=4.750000e+06
assign (resid 51 and name HN) (resid 47 and name HA) 4.287 2.297 3.797 weight 1.000 ! spec=HNH, no=1623, id=1375, vol=2.450000e+05
assign (resid 51 and name HN) (resid 52 and name HA2) 3.779 1.785 3.285 weight 1.000 ! spec=HNH, no=1626, id=1378, vol=5.220000e+05
assign (resid 51 and name HN) (resid 50 and name HB2) 2.652 0.879 2.379 weight 1.000 ! spec=HNH, no=1629, id=1381, vol=4.370000e+06
    or (resid   51 and name   HN) (resid   50 and name  HB1)
assign (resid 51 and name HN) (resid 51 and name HG) 2.720 0.925 2.425 weight 1.000 ! spec=HNH, no=1631, id=1383, vol=3.750000e+06
assign (resid 38 and name HN) (resid 36 and name HG) 3.737 1.746 3.246 weight 1.000 ! spec=HNH, no=1637, id=1389, vol=5.580000e+05
assign (resid 57 and name HN) (resid 55 and name HG22) 3.758 1.765 3.265 weight 1.000 ! spec=HNH, no=1642, id=1394, vol=5.400000e+05
    or (resid   57 and name   HN) (resid   55 and name HG21)
    or (resid   57 and name   HN) (resid   55 and name HG23)
assign (resid 57 and name HN) (resid 57 and name HG2) 3.083 1.188 2.688 weight 1.000 ! spec=HNH, no=1645, id=1397, vol=1.770000e+06
assign (resid 57 and name HN) (resid 58 and name HB2) 3.772 1.778 3.278 weight 1.000 ! spec=HNH, no=1649, id=1401, vol=5.280000e+05
assign (resid 57 and name HN) (resid 58 and name HB1) 3.794 1.799 3.299 weight 1.000 ! spec=HNH, no=1650, id=1402, vol=5.100000e+05
assign (resid 57 and name HN) (resid 55 and name HA) 3.664 1.678 3.178 weight 1.000 ! spec=HNH, no=1653, id=1405, vol=6.280000e+05
assign (resid 57 and name HN) (resid 58 and name HA) 4.140 2.142 3.642 weight 1.000 ! spec=HNH, no=1654, id=1406, vol=3.020000e+05
assign (resid 5 and name HN) (resid 3 and name HG22) 3.785 1.791 3.291 weight 1.000 ! spec=HNH, no=1656, id=1408, vol=5.170000e+05
    or (resid    5 and name   HN) (resid    3 and name HG21)
    or (resid    5 and name   HN) (resid    3 and name HG23)
assign (resid 5 and name HN) (resid 6 and name HE1) 3.839 1.842 3.342 weight 1.000 ! spec=HNH, no=1661, id=1412, vol=4.750000e+05
    or (resid    5 and name   HN) (resid    6 and name  HE2)
assign (resid 22 and name HN) (resid 18 and name HA) 3.710 1.720 3.22 weight 1.000 ! spec=HNH, no=1662, id=1413, vol=5.830000e+05
assign (resid 19 and name HN) (resid 22 and name HN) 3.765 1.771 3.271 weight 1.000 ! spec=HNH, no=1665, id=1415, vol=5.340000e+05
assign (resid 44 and name HN) (resid 45 and name HA2) 3.299 1.360 2.86 weight 1.000 ! spec=HNH, no=1667, id=1417, vol=1.180000e+06
assign (resid 60 and name HN) (resid 57 and name HA) 2.960 1.095 2.595 weight 1.000 ! spec=HNH, no=1668, id=1418, vol=2.260000e+06
assign (resid 22 and name HN) (resid 21 and name HB1) 2.999 1.124 2.624 weight 1.000 ! spec=HNH, no=1669, id=1419, vol=2.090000e+06
assign (resid 22 and name HN) (resid 21 and name HB2) 3.031 1.148 2.648 weight 1.000 ! spec=HNH, no=1670, id=1420, vol=1.960000e+06
assign (resid 60 and name HN) (resid 59 and name HD1) 3.285 1.349 2.849 weight 1.000 ! spec=HNH, no=1673, id=1423, vol=1.210000e+06
    or (resid   60 and name   HN) (resid   59 and name  HD2)
assign (resid 50 and name HN) (resid 46 and name HA) 4.156 2.159 3.659 weight 1.000 ! spec=HNH, no=1678, id=1428, vol=2.950000e+05
assign (resid 25 and name HN) (resid 20 and name HA) 4.234 2.240 3.74 weight 1.000 ! spec=HNH, no=1681, id=1431, vol=2.640000e+05
assign (resid 54 and name HN) (resid 51 and name HG) 3.650 1.665 3.165 weight 1.000 ! spec=HNH, no=1686, id=1436, vol=6.430000e+05
assign (resid 54 and name HN) (resid 57 and name HB2) 4.013 2.013 3.513 weight 1.000 ! spec=HNH, no=1688, id=1438, vol=3.640000e+05
assign (resid 54 and name HN) (resid 51 and name HD22) 3.250 1.320 2.82 weight 1.000 ! spec=HNH, no=1690, id=1440, vol=1.290000e+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 78 and name HD22) 4.000 2.000 3.5 weight 1.000 ! spec=HNH, no=1692, id=1442, vol=3.710000e+05
    or (resid   68 and name   HN) (resid   78 and name HD21)
    or (resid   68 and name   HN) (resid   78 and name HD23)
assign (resid 68 and name HN) (resid 67 and name HB2) 4.147 2.149 3.649 weight 1.000 ! spec=HNH, no=1694, id=1444, vol=2.990000e+05
assign (resid 20 and name HN) (resid 3 and name HG11) 3.807 1.812 3.312 weight 1.000 ! spec=HNH, no=1696, id=1446, vol=4.990000e+05
assign (resid 20 and name HN) (resid 18 and name HA) 3.845 1.848 3.348 weight 1.000 ! spec=HNH, no=1697, id=1447, vol=4.700000e+05
assign (resid 61 and name HN) (resid 59 and name HN) 3.206 1.285 2.785 weight 1.000 ! spec=HNH, no=1701, id=1450, vol=1.400000e+06
assign (resid 61 and name HN) (resid 62 and name HN) 2.728 0.930 2.43 weight 1.000 ! spec=HNH, no=1702, id=1451, vol=3.690000e+06
assign (resid 61 and name HN) (resid 64 and name HN) 3.611 1.630 3.13 weight 1.000 ! spec=HNH, no=1704, id=1453, vol=6.850000e+05
assign (resid 69 and name HN) (resid 79 and name HD1) 3.991 1.991 3.491 weight 1.000 ! spec=HNH, no=1705, id=1454, vol=3.760000e+05
assign (resid 69 and name HN) (resid 68 and name HN) 3.308 1.368 2.868 weight 1.000 ! spec=HNH, no=1706, id=1455, vol=1.160000e+06
assign (resid 76 and name HN) (resid 71 and name HD12) 3.374 1.423 2.923 weight 1.000 ! spec=HNH, no=1707, id=1456, vol=1.030000e+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 24 and name HN) (resid 23 and name HN) 2.680 0.898 2.398 weight 1.000 ! spec=HNH, no=1708, id=1457, vol=4.100000e+06
assign (resid 23 and name HN) (resid 18 and name HA) 4.513 2.545 4.045 weight 1.000 ! spec=HNH, no=1712, id=1461, vol=1.800000e+05
assign (resid 10 and name HN) (resid 44 and name HD22) 4.445 2.470 3.97 weight 1.000 ! spec=HNH, no=1717, id=1466, vol=1.970000e+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 6 and name HN) (resid 2 and name HA2) 3.918 1.919 3.419 weight 1.000 ! spec=HNH, no=1721, id=1470, vol=4.200000e+05
assign (resid 14 and name HN) (resid 13 and name HN) 2.270 0.644 2.144 weight 1.000 ! spec=HNH, no=1724, id=1473, vol=1.110000e+07
assign (resid 65 and name HN) (resid 64 and name HB) 3.385 1.432 2.932 weight 1.000 ! spec=HNH, no=1728, id=1476, vol=1.010000e+06
assign (resid 36 and name HN) (resid 40 and name HD12) 4.367 2.384 3.884 weight 1.000 ! spec=HNH, no=1729, id=1477, vol=2.190000e+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) 2.909 1.058 2.558 weight 1.000 ! spec=HNH, no=1730, id=1478, 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 56 and name HN) (resid 57 and name HA) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=1734, id=1482, vol=8.560000e+05
assign (resid 157 and name HN) (resid 157 and name HD12) 2.853 1.017 2.517 weight 1.000 ! spec=HNH, no=1735, id=1483, vol=2.820000e+06
    or (resid  157 and name   HN) (resid  157 and name HD11)
    or (resid  157 and name   HN) (resid  157 and name HD13)
assign (resid 67 and name HN) (resid 68 and name HA) 4.205 2.210 3.71 weight 1.000 ! spec=HNH, no=1741, id=1487, vol=2.750000e+05
assign (resid 33 and name HN) (resid 36 and name HB2) 4.525 2.560 4.06 weight 1.000 ! spec=HNH, no=1745, id=1488, vol=1.770000e+05
assign (resid 7 and name HN) (resid 6 and name HE1) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=1746, id=1489, vol=3.610000e+05
    or (resid    7 and name   HN) (resid    6 and name  HE2)
assign (resid 49 and name HN) (resid 51 and name HD22) 3.628 1.646 3.146 weight 1.000 ! spec=HNH, no=1748, id=1491, vol=6.660000e+05
    or (resid   49 and name   HN) (resid   51 and name HD21)
    or (resid   49 and name   HN) (resid   51 and name HD23)
    or (resid   49 and name   HN) (resid   51 and name HD12)
    or (resid   49 and name   HN) (resid   51 and name HD11)
    or (resid   49 and name   HN) (resid   51 and name HD13)
assign (resid 49 and name HN) (resid 47 and name HE2) 3.421 1.463 2.963 weight 1.000 ! spec=HNH, no=1754, id=1497, vol=9.480000e+05
    or (resid   49 and name   HN) (resid   47 and name  HE1)
assign (resid 49 and name HN) (resid 48 and name HB2) 3.119 1.216 2.716 weight 1.000 ! spec=HNH, no=1757, id=1500, vol=1.650000e+06
assign (resid 49 and name HN) (resid 47 and name HA) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=1759, id=1502, vol=1.060000e+06
assign (resid 49 and name HN) (resid 50 and name HA) 3.739 1.748 3.248 weight 1.000 ! spec=HNH, no=1760, id=1503, vol=5.560000e+05
assign (resid 49 and name HN) (resid 51 and name HN) 3.348 1.401 2.901 weight 1.000 ! spec=HNH, no=1765, id=1508, vol=1.080000e+06
assign (resid 52 and name HN) (resid 49 and name HN) 3.805 1.810 3.31 weight 1.000 ! spec=HNH, no=1766, id=1509, vol=5.010000e+05
assign (resid 49 and name HN) (resid 47 and name HN) 4.018 2.018 3.518 weight 1.000 ! spec=HNH, no=1767, id=1510, vol=3.610000e+05
assign (resid 48 and name HN) (resid 49 and name HN) 2.808 0.986 2.486 weight 1.000 ! spec=HNH, no=1768, id=1511, vol=3.100000e+06
assign (resid 34 and name HN) (resid 36 and name HB1) 4.578 2.620 4.12 weight 1.000 ! spec=HNH, no=1772, id=1513, vol=1.650000e+05
assign (resid 48 and name HN) (resid 55 and name HD12) 4.069 2.069 3.569 weight 1.000 ! spec=HNH, no=1773, id=1514, vol=3.350000e+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 3 and name HN) (resid 5 and name HN) 3.789 1.794 3.294 weight 1.000 ! spec=HNH, no=1776, id=1515, vol=5.140000e+05
assign (resid 67 and name HN) (resid 21 and name HN) 4.617 2.664 4.164 weight 1.000 ! spec=HNH, no=1778, id=1517, vol=1.570000e+05
assign (resid 17 and name HN) (resid 18 and name HA) 4.085 2.086 3.586 weight 1.000 ! spec=HNH, no=1780, id=1519, vol=3.270000e+05
assign (resid 15 and name HN) (resid 16 and name HA) 4.210 2.215 3.715 weight 1.000 ! spec=HNH, no=1788, id=1521, vol=2.730000e+05
assign (resid 76 and name HN) (resid 33 and name HA) 3.915 1.916 3.416 weight 1.000 ! spec=HNH, no=1798, id=1528, vol=4.220000e+05
assign (resid 76 and name HE1) (resid 76 and name HN) 3.969 1.969 3.469 weight 1.000 ! spec=HNH, no=1800, id=1530, vol=3.890000e+05
assign (resid 76 and name HN) (resid 33 and name HN) 3.636 1.652 3.152 weight 1.000 ! spec=HNH, no=1801, id=1531, vol=6.580000e+05
assign (resid 9 and name HN) (resid 6 and name HB2) 4.381 2.399 3.899 weight 1.000 ! spec=HNH, no=1804, id=1534, vol=2.150000e+05
assign (resid 65 and name HN) (resid 63 and name HB1) 4.106 2.108 3.608 weight 1.000 ! spec=HNH, no=1809, id=1539, vol=3.170000e+05
assign (resid 125 and name HN) (resid 124 and name HB1) 2.956 1.092 2.592 weight 1.000 ! spec=HNH, no=1812, id=1541, vol=2.280000e+06
assign (resid 25 and name HN) (resid 23 and name HG) 4.316 2.329 3.829 weight 1.000 ! spec=HNH, no=1819, id=1547, vol=2.350000e+05
assign (resid 54 and name HN) (resid 54 and name HE) 3.926 1.927 3.427 weight 1.000 ! spec=HNH, no=1821, id=1549, vol=4.150000e+05
assign (resid 59 and name HN) (resid 57 and name HB2) 4.371 2.388 3.888 weight 1.000 ! spec=HNH, no=1822, id=1550, vol=2.180000e+05
assign (resid 74 and name HN) (resid 72 and name HB1) 3.700 1.712 3.212 weight 1.000 ! spec=HNH, no=1828, id=1556, vol=5.920000e+05
assign (resid 36 and name HN) (resid 33 and name HN) 4.051 2.051 3.551 weight 1.000 ! spec=HNH, no=1830, id=1558, vol=3.440000e+05
assign (resid 34 and name HN) (resid 36 and name HN) 3.573 1.596 3.096 weight 1.000 ! spec=HNH, no=1831, id=1559, vol=7.300000e+05
assign (resid 36 and name HN) (resid 33 and name HB1) 4.504 2.536 4.036 weight 1.000 ! spec=HNH, no=1832, id=1560, vol=1.820000e+05
assign (resid 57 and name HN) (resid 55 and name HN) 3.191 1.273 2.773 weight 1.000 ! spec=HNH, no=1836, id=1563, vol=1.440000e+06
assign (resid 57 and name HN) (resid 56 and name HN) 2.694 0.907 2.407 weight 1.000 ! spec=HNH, no=1838, id=1565, vol=3.980000e+06
assign (resid 82 and name HN) (resid 78 and name HB1) 4.492 2.522 4.022 weight 1.000 ! spec=HNH, no=1841, id=1568, vol=1.850000e+05
assign (resid 82 and name HN) (resid 79 and name HD2) 4.261 2.269 3.769 weight 1.000 ! spec=HNH, no=1843, id=1570, vol=2.540000e+05
assign (resid 82 and name HN) (resid 82 and name HB2) 2.941 1.081 2.581 weight 1.000 ! spec=HNH, no=1844, id=1571, vol=2.350000e+06
assign (resid 82 and name HN) (resid 82 and name HB1) 2.884 1.040 2.54 weight 1.000 ! spec=HNH, no=1847, id=1573, vol=2.640000e+06
assign (resid 60 and name HN) (resid 62 and name HG) 4.213 2.218 3.718 weight 1.000 ! spec=HNH, no=1852, id=1576, vol=2.720000e+05
assign (resid 37 and name HN) (resid 35 and name HN) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=1854, id=1577, vol=1.280000e+06
assign (resid 57 and name HE21) (resid 61 and name HN) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=1857, id=1580, vol=9.230000e+05
assign (resid 57 and name HE21) (resid 60 and name HB) 3.276 1.341 2.841 weight 1.000 ! spec=HNH, no=1859, id=1582, vol=1.230000e+06
assign (resid 57 and name HE21) (resid 64 and name HD12) 3.711 1.721 3.221 weight 1.000 ! spec=HNH, no=1860, id=1583, vol=5.820000e+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 86 and name HE21) (resid 85 and name HB2) 4.035 2.035 3.535 weight 1.000 ! spec=HNH, no=1863, id=1586, vol=3.520000e+05
    or (resid   86 and name HE21) (resid   85 and name  HB1)
assign (resid 86 and name HE21) (resid 65 and name HB1) 4.419 2.441 3.941 weight 1.000 ! spec=HNH, no=1864, id=1587, vol=2.040000e+05
assign (resid 81 and name HN) (resid 79 and name HB2) 3.967 1.967 3.467 weight 1.000 ! spec=HNH, no=1871, id=1589, vol=3.900000e+05
assign (resid 35 and name HN) (resid 76 and name HD1) 4.384 2.403 3.903 weight 1.000 ! spec=HNH, no=1874, id=1590, vol=2.140000e+05
assign (resid 57 and name HE22) (resid 64 and name HD12) 3.677 1.690 3.19 weight 1.000 ! spec=HNH, no=1875, id=1591, vol=6.150000e+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 57 and name HE22) (resid 64 and name HG22) 3.928 1.928 3.428 weight 1.000 ! spec=HNH, no=1876, id=1592, vol=4.140000e+05
    or (resid   57 and name HE22) (resid   64 and name HG21)
    or (resid   57 and name HE22) (resid   64 and name HG23)
assign (resid 76 and name HZ2) (resid 36 and name HD22) 4.332 2.346 3.846 weight 1.000 ! spec=HNH, no=1878, id=1594, vol=2.300000e+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 76 and name HZ2) (resid 62 and name HN) 4.163 2.166 3.666 weight 1.000 ! spec=HNH, no=1880, id=1595, vol=2.920000e+05
assign (resid 63 and name HD21) (resid 62 and name HN) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=1884, id=1598, vol=4.240000e+05
assign (resid 63 and name HD21) (resid 64 and name HN) 3.436 1.476 2.976 weight 1.000 ! spec=HNH, no=1885, id=1599, vol=9.240000e+05
assign (resid 75 and name HN) (resid 73 and name HB1) 4.593 2.636 4.136 weight 1.000 ! spec=HNH, no=1887, id=1601, vol=1.620000e+05
assign (resid 13 and name HN) (resid 12 and name HN) 2.617 0.856 2.356 weight 1.000 ! spec=HNH, no=1888, id=1602, vol=4.730000e+06
assign (resid 11 and name HN) (resid 13 and name HN) 3.601 1.621 3.121 weight 1.000 ! spec=HNH, no=1891, id=1604, vol=6.970000e+05
assign (resid 38 and name HN) (resid 37 and name HD22) 3.047 1.160 2.66 weight 1.000 ! spec=HNH, no=1904, id=1616, vol=1.900000e+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 36 and name HA) 3.380 1.428 2.928 weight 1.000 ! spec=HNH, no=1907, id=1619, vol=1.020000e+06
assign (resid 38 and name HN) (resid 35 and name HA) 2.851 1.016 2.516 weight 1.000 ! spec=HNH, no=1908, id=1620, vol=2.830000e+06
assign (resid 38 and name HN) (resid 40 and name HN) 3.549 1.575 3.075 weight 1.000 ! spec=HNH, no=1914, id=1625, vol=7.600000e+05
assign (resid 41 and name HN) (resid 38 and name HA) 3.152 1.242 2.742 weight 1.000 ! spec=HNH, no=1917, id=1628, vol=1.550000e+06
assign (resid 19 and name HN) (resid 40 and name HD12) 3.991 1.991 3.491 weight 1.000 ! spec=HNH, no=1918, id=1629, vol=3.760000e+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 60 and name HN) (resid 56 and name HA) 3.369 1.419 2.919 weight 1.000 ! spec=HNH, no=1920, id=1631, vol=1.040000e+06
assign (resid 62 and name HN) (resid 58 and name HA) 3.562 1.586 3.086 weight 1.000 ! spec=HNH, no=1921, id=1632, vol=7.440000e+05
assign (resid 78 and name HN) (resid 71 and name HD22) 3.289 1.352 2.852 weight 1.000 ! spec=HNH, no=1929, id=1638, vol=1.200000e+06
    or (resid   78 and name   HN) (resid   71 and name HD21)
    or (resid   78 and name   HN) (resid   71 and name HD23)
assign (resid 78 and name HN) (resid 78 and name HG) 3.438 1.477 2.977 weight 1.000 ! spec=HNH, no=1930, id=1639, vol=9.210000e+05
assign (resid 78 and name HN) (resid 78 and name HD22) 3.489 1.521 3.021 weight 1.000 ! spec=HNH, no=1931, id=1640, vol=8.430000e+05
    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 81 and name HZ3) 3.308 1.368 2.868 weight 1.000 ! spec=HNH, no=1933, id=1642, vol=1.160000e+06
assign (resid 78 and name HN) (resid 82 and name HD1) 4.102 2.103 3.603 weight 1.000 ! spec=HNH, no=1935, id=1644, vol=3.190000e+05
    or (resid   78 and name   HN) (resid   82 and name  HD2)
assign (resid 78 and name HN) (resid 81 and name HE3) 3.695 1.707 3.207 weight 1.000 ! spec=HNH, no=1936, id=1645, vol=5.970000e+05
assign (resid 78 and name HN) (resid 77 and name HN) 3.887 1.888 3.388 weight 1.000 ! spec=HNH, no=1938, id=1647, vol=4.410000e+05
assign (resid 37 and name HN) (resid 33 and name HA) 3.516 1.546 3.046 weight 1.000 ! spec=HNH, no=1941, id=1650, vol=8.040000e+05
assign (resid 37 and name HN) (resid 33 and name HE1) 3.912 1.913 3.413 weight 1.000 ! spec=HNH, no=1942, id=1651, vol=4.240000e+05
    or (resid   37 and name   HN) (resid   33 and name  HE2)
assign (resid 128 and name HN) (resid 128 and name HA) 2.421 0.733 2.233 weight 1.000 ! spec=HNH, no=1944, id=1653, vol=7.550000e+06
assign (resid 52 and name HN) (resid 53 and name HB1) 4.275 2.284 3.784 weight 1.000 ! spec=HNH, no=1953, id=1656, vol=2.490000e+05
assign (resid 75 and name HN) (resid 32 and name HB2) 4.351 2.366 3.866 weight 1.000 ! spec=HNH, no=1959, id=1657, vol=2.240000e+05
assign (resid 34 and name HE21) (resid 33 and name HE1) 3.276 1.341 2.841 weight 1.000 ! spec=HNH, no=1962, id=1659, vol=1.230000e+06
    or (resid   34 and name HE21) (resid   33 and name  HE2)
assign (resid 46 and name HN) (resid 46 and name HA) 2.796 0.977 2.477 weight 1.000 ! spec=HNH, no=1964, id=1660, vol=3.180000e+06
assign (resid 34 and name HE21) (resid 37 and name HD22) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=1965, id=1661, vol=1.370000e+06
    or (resid   34 and name HE21) (resid   37 and name HD21)
    or (resid   34 and name HE21) (resid   37 and name HD23)
    or (resid   34 and name HE21) (resid   37 and name HD12)
    or (resid   34 and name HE21) (resid   37 and name HD11)
    or (resid   34 and name HE21) (resid   37 and name HD13)
assign (resid 74 and name HE22) (resid 72 and name HA) 4.022 2.022 3.522 weight 1.000 ! spec=HNH, no=1978, id=1670, vol=3.590000e+05
assign (resid 86 and name HE22) (resid 79 and name HE) 3.092 1.195 2.695 weight 1.000 ! spec=HNH, no=1980, id=1672, vol=1.740000e+06
assign (resid 34 and name HN) (resid 36 and name HA) 4.247 2.255 3.755 weight 1.000 ! spec=HNH, no=1981, id=1673, vol=2.590000e+05
assign (resid 28 and name HN) (resid 26 and name HN) 3.661 1.676 3.176 weight 1.000 ! spec=HNH, no=1983, id=1674, vol=6.310000e+05
assign (resid 18 and name HN) (resid 17 and name HN) 2.764 0.955 2.455 weight 1.000 ! spec=HNH, no=1985, id=1676, vol=3.410000e+06
assign (resid 28 and name HN) (resid 27 and name HA) 3.101 1.202 2.702 weight 1.000 ! spec=HNH, no=1987, id=1678, vol=1.710000e+06
assign (resid 28 and name HN) (resid 28 and name HE2) 3.952 1.952 3.452 weight 1.000 ! spec=HNH, no=1988, id=1679, vol=3.990000e+05
    or (resid   28 and name   HN) (resid   28 and name  HE1)
assign (resid 28 and name HN) (resid 26 and name HB1) 3.972 1.972 3.472 weight 1.000 ! spec=HNH, no=1989, id=1680, vol=3.870000e+05
assign (resid 28 and name HN) (resid 24 and name HB1) 4.307 2.319 3.819 weight 1.000 ! spec=HNH, no=1990, id=1681, vol=2.380000e+05
assign (resid 31 and name HN) (resid 31 and name HB) 3.049 1.162 2.662 weight 1.000 ! spec=HNH, no=1996, id=1687, vol=1.890000e+06
assign (resid 21 and name HN) (resid 22 and name HN) 2.926 1.070 2.57 weight 1.000 ! spec=HNH, no=2010, id=1699, vol=2.420000e+06
assign (resid 21 and name HN) (resid 21 and name HD2) 3.656 1.671 3.171 weight 1.000 ! spec=HNH, no=2013, id=1702, vol=6.360000e+05
assign (resid 21 and name HN) (resid 23 and name HD22) 3.503 1.534 3.034 weight 1.000 ! spec=HNH, no=2015, id=1704, vol=8.230000e+05
    or (resid   21 and name   HN) (resid   23 and name HD21)
    or (resid   21 and name   HN) (resid   23 and name HD23)
assign (resid 27 and name HN) (resid 26 and name HG2) 3.104 1.204 2.704 weight 1.000 ! spec=HNH, no=2018, id=1707, vol=1.700000e+06
    or (resid   27 and name   HN) (resid   26 and name  HG1)
assign (resid 27 and name HN) (resid 24 and name HA) 3.119 1.216 2.716 weight 1.000 ! spec=HNH, no=2025, id=1714, vol=1.650000e+06
assign (resid 9 and name HN) (resid 12 and name HG1) 4.032 2.032 3.532 weight 1.000 ! spec=HNH, no=2030, id=1719, vol=3.540000e+05
assign (resid 72 and name HN) (resid 71 and name HB2) 3.541 1.567 3.067 weight 1.000 ! spec=HNH, no=2033, id=1722, vol=7.710000e+05
assign (resid 94 and name HN) (resid 93 and name HB1) 2.798 0.978 2.478 weight 1.000 ! spec=HNH, no=2034, id=1723, vol=3.170000e+06
assign (resid 94 and name HN) (resid 93 and name HG2) 3.254 1.324 2.824 weight 1.000 ! spec=HNH, no=2035, id=1724, vol=1.280000e+06
    or (resid   94 and name   HN) (resid   93 and name  HG1)
assign (resid 94 and name HN) (resid 94 and name HA) 2.694 0.907 2.407 weight 1.000 ! spec=HNH, no=2038, id=1727, vol=3.980000e+06
assign (resid 72 and name HN) (resid 72 and name HB2) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=2039, id=1728, vol=3.010000e+06
assign (resid 94 and name HN) (resid 93 and name HA) 1.987 0.493 1.993 weight 1.000 ! spec=HNH, no=2040, id=1729, vol=2.470000e+07
assign (resid 57 and name HE21) (resid 57 and name HE22) 1.698 0.360 1.86 weight 1.000 ! spec=HNH, no=2045, id=1733, vol=6.340000e+07
assign (resid 57 and name HE21) (resid 57 and name HA) 3.217 1.294 2.794 weight 1.000 ! spec=HNH, no=2046, id=1734, vol=1.370000e+06
assign (resid 57 and name HE21) (resid 57 and name HB2) 3.404 1.448 2.948 weight 1.000 ! spec=HNH, no=2049, id=1737, vol=9.770000e+05
assign (resid 57 and name HE21) (resid 57 and name HB1) 3.404 1.448 2.948 weight 1.000 ! spec=HNH, no=2050, id=1738, vol=9.770000e+05
assign (resid 9 and name HN) (resid 12 and name HN) 4.045 2.045 3.545 weight 1.000 ! spec=HNH, no=2058, id=1746, vol=3.470000e+05
assign (resid 11 and name HN) (resid 12 and name HN) 2.695 0.908 2.408 weight 1.000 ! spec=HNH, no=2059, id=1747, vol=3.970000e+06
assign (resid 61 and name HN) (resid 57 and name HE22) 3.686 1.698 3.198 weight 1.000 ! spec=HNH, no=2064, id=1751, vol=6.060000e+05
assign (resid 57 and name HE22) (resid 60 and name HB) 3.391 1.437 2.937 weight 1.000 ! spec=HNH, no=2070, id=1755, vol=1.000000e+06
assign (resid 57 and name HE22) (resid 57 and name HG2) 2.637 0.869 2.369 weight 1.000 ! spec=HNH, no=2072, id=1757, vol=4.520000e+06
assign (resid 57 and name HE22) (resid 57 and name HG1) 2.865 1.026 2.526 weight 1.000 ! spec=HNH, no=2073, id=1758, vol=2.750000e+06
assign (resid 57 and name HE22) (resid 57 and name HB2) 3.729 1.738 3.238 weight 1.000 ! spec=HNH, no=2074, id=1759, vol=5.650000e+05
assign (resid 35 and name HN) (resid 35 and name HG1) 2.760 0.952 2.452 weight 1.000 ! spec=HNH, no=2078, id=1763, vol=3.440000e+06
assign (resid 35 and name HN) (resid 34 and name HG1) 3.619 1.638 3.138 weight 1.000 ! spec=HNH, no=2080, id=1765, vol=6.760000e+05
assign (resid 35 and name HN) (resid 32 and name HD1) 3.578 1.601 3.101 weight 1.000 ! spec=HNH, no=2083, id=1768, vol=7.240000e+05
assign (resid 35 and name HN) (resid 35 and name HA) 2.879 1.036 2.536 weight 1.000 ! spec=HNH, no=2084, id=1769, vol=2.670000e+06
assign (resid 28 and name HN) (resid 29 and name HN) 2.844 1.011 2.511 weight 1.000 ! spec=HNH, no=2085, id=1770, vol=2.870000e+06
assign (resid 27 and name HN) (resid 29 and name HN) 3.358 1.410 2.91 weight 1.000 ! spec=HNH, no=2086, id=1771, vol=1.060000e+06
assign (resid 29 and name HN) (resid 81 and name HH2) 2.994 1.121 2.621 weight 1.000 ! spec=HNH, no=2088, id=1772, vol=2.110000e+06
assign (resid 29 and name HN) (resid 29 and name HA) 2.853 1.017 2.517 weight 1.000 ! spec=HNH, no=2091, id=1775, vol=2.820000e+06
assign (resid 29 and name HN) (resid 25 and name HA) 4.168 2.171 3.671 weight 1.000 ! spec=HNH, no=2092, id=1776, vol=2.900000e+05
assign (resid 29 and name HN) (resid 28 and name HG2) 3.466 1.502 3.002 weight 1.000 ! spec=HNH, no=2095, id=1779, vol=8.760000e+05
    or (resid   29 and name   HN) (resid   28 and name  HG1)
assign (resid 29 and name HN) (resid 31 and name HG22) 3.627 1.644 3.144 weight 1.000 ! spec=HNH, no=2096, id=1780, vol=6.680000e+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 51 and name HN) (resid 51 and name HD22) 2.557 0.817 2.317 weight 1.000 ! spec=HNH, no=2099, id=1782, vol=5.440000e+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 51 and name HN) (resid 55 and name HD12) 3.162 1.250 2.75 weight 1.000 ! spec=HNH, no=2100, id=1783, vol=1.520000e+06
    or (resid   51 and name   HN) (resid   55 and name HD11)
    or (resid   51 and name   HN) (resid   55 and name HD13)
assign (resid 57 and name HN) (resid 16 and name HD12) 4.102 2.103 3.603 weight 1.000 ! spec=HNH, no=2103, id=1786, vol=3.190000e+05
    or (resid   57 and name   HN) (resid   16 and name HD11)
    or (resid   57 and name   HN) (resid   16 and name HD13)
assign (resid 26 and name HN) (resid 26 and name HG2) 2.638 0.870 2.37 weight 1.000 ! spec=HNH, no=2105, id=1788, vol=4.510000e+06
    or (resid   26 and name   HN) (resid   26 and name  HG1)
assign (resid 4 and name HN) (resid 5 and name HN) 2.503 0.783 2.283 weight 1.000 ! spec=HNH, no=2109, id=1792, vol=6.180000e+06
assign (resid 5 and name HN) (resid 6 and name HB2) 3.809 1.813 3.313 weight 1.000 ! spec=HNH, no=2111, id=1794, vol=4.980000e+05
assign (resid 5 and name HN) (resid 6 and name HB1) 3.520 1.549 3.049 weight 1.000 ! spec=HNH, no=2112, id=1795, vol=7.990000e+05
assign (resid 5 and name HN) (resid 5 and name HB2) 2.419 0.731 2.231 weight 1.000 ! spec=HNH, no=2113, id=1796, vol=7.590000e+06
    or (resid    5 and name   HN) (resid    5 and name  HB1)
assign (resid 52 and name HN) (resid 50 and name HN) 3.013 1.135 2.635 weight 1.000 ! spec=HNH, no=2116, id=1798, vol=2.030000e+06
assign (resid 68 and name HN) (resid 17 and name HG22) 4.106 2.108 3.608 weight 1.000 ! spec=HNH, no=2123, id=1804, vol=3.170000e+05
    or (resid   68 and name   HN) (resid   17 and name HG21)
    or (resid   68 and name   HN) (resid   17 and name HG23)
    or (resid   68 and name   HN) (resid   17 and name HG12)
    or (resid   68 and name   HN) (resid   17 and name HG11)
    or (resid   68 and name   HN) (resid   17 and name HG13)
assign (resid 59 and name HN) (resid 62 and name HN) 3.435 1.474 2.974 weight 1.000 ! spec=HNH, no=2128, id=1808, vol=9.260000e+05
assign (resid 8 and name HN) (resid 11 and name HB1) 4.210 2.215 3.715 weight 1.000 ! spec=HNH, no=2130, id=1810, vol=2.730000e+05
assign (resid 53 and name HN) (resid 55 and name HD12) 3.942 1.943 3.443 weight 1.000 ! spec=HNH, no=2134, id=1814, vol=4.050000e+05
    or (resid   53 and name   HN) (resid   55 and name HD11)
    or (resid   53 and name   HN) (resid   55 and name HD13)
assign (resid 23 and name HN) (resid 78 and name HD22) 4.289 2.300 3.8 weight 1.000 ! spec=HNH, no=2136, id=1816, vol=2.440000e+05
    or (resid   23 and name   HN) (resid   78 and name HD21)
    or (resid   23 and name   HN) (resid   78 and name HD23)
assign (resid 5 and name HE21) (resid 4 and name HN) 3.303 1.364 2.864 weight 1.000 ! spec=HNH, no=2138, id=1818, vol=1.170000e+06
assign (resid 4 and name HN) (resid 6 and name HD1) 3.693 1.705 3.205 weight 1.000 ! spec=HNH, no=2139, id=1819, vol=5.990000e+05
    or (resid    4 and name   HN) (resid    6 and name  HD2)
assign (resid 19 and name HN) (resid 14 and name HA) 4.278 2.288 3.788 weight 1.000 ! spec=HNH, no=2143, id=1823, vol=2.480000e+05
assign (resid 81 and name HN) (resid 78 and name HB1) 3.337 1.392 2.892 weight 1.000 ! spec=HNH, no=2145, id=1825, vol=1.100000e+06
assign (resid 71 and name HN) (resid 78 and name HN) 3.636 1.652 3.152 weight 1.000 ! spec=HNH, no=2151, id=1829, vol=6.580000e+05
assign (resid 71 and name HN) (resid 75 and name HB) 3.844 1.847 3.347 weight 1.000 ! spec=HNH, no=2152, id=1830, vol=4.710000e+05
assign (resid 136 and name HN) (resid 135 and name HG2) 3.353 1.405 2.905 weight 1.000 ! spec=HNH, no=2153, id=1831, vol=1.070000e+06
    or (resid  136 and name   HN) (resid  135 and name  HG1)
assign (resid 136 and name HN) (resid 135 and name HB1) 3.086 1.190 2.69 weight 1.000 ! spec=HNH, no=2155, id=1833, vol=1.760000e+06
assign (resid 136 and name HN) (resid 136 and name HB2) 2.274 0.646 2.146 weight 1.000 ! spec=HNH, no=2156, id=1834, vol=1.100000e+07
    or (resid  136 and name   HN) (resid  136 and name  HB1)
    or (resid  136 and name   HN) (resid  136 and name  HB3)
assign (resid 73 and name HN) (resid 72 and name HA) 2.822 0.995 2.495 weight 1.000 ! spec=HNH, no=2165, id=1842, vol=3.010000e+06
assign (resid 87 and name HN) (resid 87 and name HD12) 3.101 1.202 2.702 weight 1.000 ! spec=HNH, no=2173, id=1845, vol=1.710000e+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 87 and name HN) (resid 87 and name HG) 2.306 0.665 2.165 weight 1.000 ! spec=HNH, no=2174, id=1846, vol=1.010000e+07
assign (resid 91 and name HN) (resid 92 and name HN) 2.729 0.931 2.431 weight 1.000 ! spec=HNH, no=2176, id=1848, vol=3.680000e+06
assign (resid 91 and name HN) (resid 84 and name HA) 3.504 1.535 3.035 weight 1.000 ! spec=HNH, no=2181, id=1851, vol=8.210000e+05
assign (resid 91 and name HN) (resid 91 and name HB) 2.613 0.853 2.353 weight 1.000 ! spec=HNH, no=2183, id=1853, vol=4.780000e+06
assign (resid 91 and name HN) (resid 90 and name HG2) 3.267 1.334 2.834 weight 1.000 ! spec=HNH, no=2185, id=1855, vol=1.250000e+06
    or (resid   91 and name   HN) (resid   90 and name  HG1)
assign (resid 91 and name HN) (resid 92 and name HB1) 3.034 1.150 2.65 weight 1.000 ! spec=HNH, no=2187, id=1857, vol=1.950000e+06
assign (resid 92 and name HN) (resid 91 and name HG21) 2.873 1.032 2.532 weight 1.000 ! spec=HNH, no=2190, id=1860, vol=2.700000e+06
    or (resid   92 and name   HN) (resid   91 and name HG22)
    or (resid   92 and name   HN) (resid   91 and name HG23)
assign (resid 92 and name HN) (resid 83 and name HD1) 3.612 1.631 3.131 weight 1.000 ! spec=HNH, no=2194, id=1864, vol=6.840000e+05
assign (resid 92 and name HN) (resid 83 and name HD2) 3.467 1.503 3.003 weight 1.000 ! spec=HNH, no=2195, id=1865, vol=8.750000e+05
assign (resid 94 and name HN) (resid 95 and name HG22) 3.460 1.496 2.996 weight 1.000 ! spec=HNH, no=2200, id=1870, vol=8.860000e+05
    or (resid   94 and name   HN) (resid   95 and name HG21)
    or (resid   94 and name   HN) (resid   95 and name HG23)
assign (resid 94 and name HN) (resid 83 and name HD1) 3.480 1.514 3.014 weight 1.000 ! spec=HNH, no=2203, id=1873, vol=8.560000e+05
assign (resid 95 and name HN) (resid 95 and name HA) 2.539 0.805 2.305 weight 1.000 ! spec=HNH, no=2205, id=1875, vol=5.680000e+06
assign (resid 95 and name HN) (resid 95 and name HB) 2.339 0.684 2.184 weight 1.000 ! spec=HNH, no=2206, id=1876, vol=9.270000e+06
assign (resid 95 and name HN) (resid 95 and name HG22) 2.270 0.644 2.144 weight 1.000 ! spec=HNH, no=2207, id=1877, vol=1.110000e+07
    or (resid   95 and name   HN) (resid   95 and name HG21)
    or (resid   95 and name   HN) (resid   95 and name HG23)
assign (resid 96 and name HN) (resid 96 and name HB2) 2.468 0.762 2.262 weight 1.000 ! spec=HNH, no=2211, id=1881, vol=6.720000e+06
    or (resid   96 and name   HN) (resid   96 and name  HB1)
assign (resid 96 and name HN) (resid 95 and name HG12) 2.560 0.819 2.319 weight 1.000 ! spec=HNH, no=2214, id=1884, vol=5.400000e+06
    or (resid   96 and name   HN) (resid   95 and name HG11)
    or (resid   96 and name   HN) (resid   95 and name HG13)
assign (resid 97 and name HN) (resid 95 and name HG12) 3.246 1.317 2.817 weight 1.000 ! spec=HNH, no=2216, id=1885, vol=1.300000e+06
    or (resid   97 and name   HN) (resid   95 and name HG11)
    or (resid   97 and name   HN) (resid   95 and name HG13)
assign (resid 97 and name HN) (resid 97 and name HB2) 2.106 0.555 2.055 weight 1.000 ! spec=HNH, no=2217, id=1886, vol=1.740000e+07
    or (resid   97 and name   HN) (resid   97 and name  HB1)
    or (resid   97 and name   HN) (resid   97 and name  HB3)
assign (resid 97 and name HN) (resid 29 and name HD2) 2.958 1.094 2.594 weight 1.000 ! spec=HNH, no=2218, id=1887, vol=2.270000e+06
    or (resid   97 and name   HN) (resid   29 and name  HD1)
assign (resid 97 and name HN) (resid 96 and name HB2) 2.916 1.063 2.563 weight 1.000 ! spec=HNH, no=2219, id=1888, vol=2.470000e+06
    or (resid   97 and name   HN) (resid   96 and name  HB1)
assign (resid 97 and name HN) (resid 97 and name HA) 1.839 0.423 1.923 weight 1.000 ! spec=HNH, no=2221, id=1890, vol=3.930000e+07
assign (resid 105 and name HN) (resid 108 and name HB1) 3.601 1.621 3.121 weight 1.000 ! spec=HNH, no=2224, id=1893, vol=6.970000e+05
assign (resid 102 and name HN) (resid 102 and name HB2) 2.074 0.538 2.038 weight 1.000 ! spec=HNH, no=2225, id=1894, vol=1.910000e+07
    or (resid  102 and name   HN) (resid  102 and name  HB1)
    or (resid  102 and name   HN) (resid  102 and name  HB3)
assign (resid 96 and name HN) (resid 28 and name HB1) 3.391 1.437 2.937 weight 1.000 ! spec=HNH, no=2228, id=1897, vol=1.000000e+06
assign (resid 105 and name HN) (resid 106 and name HN) 2.616 0.856 2.356 weight 1.000 ! spec=HNH, no=2231, id=1900, vol=4.740000e+06
assign (resid 106 and name HN) (resid 106 and name HB) 2.310 0.667 2.167 weight 1.000 ! spec=HNH, no=2237, id=1906, vol=1.000000e+07
assign (resid 106 and name HN) (resid 108 and name HG2) 3.537 1.564 3.064 weight 1.000 ! spec=HNH, no=2238, id=1907, vol=7.760000e+05
    or (resid  106 and name   HN) (resid  108 and name  HG1)
assign (resid 106 and name HN) (resid 106 and name HA) 2.446 0.748 2.248 weight 1.000 ! spec=HNH, no=2239, id=1908, vol=7.090000e+06
assign (resid 116 and name HN) (resid 115 and name HA) 2.083 0.542 2.042 weight 1.000 ! spec=HNH, no=2245, id=1912, vol=1.860000e+07
assign (resid 116 and name HN) (resid 115 and name HB2) 2.700 0.911 2.411 weight 1.000 ! spec=HNH, no=2246, id=1913, vol=3.920000e+06
assign (resid 116 and name HN) (resid 115 and name HB1) 2.849 1.015 2.515 weight 1.000 ! spec=HNH, no=2247, id=1914, vol=2.840000e+06
assign (resid 153 and name HN) (resid 152 and name HB2) 2.584 0.835 2.335 weight 1.000 ! spec=HNH, no=2249, id=1916, vol=5.100000e+06
    or (resid  153 and name   HN) (resid  152 and name  HB1)
assign (resid 153 and name HN) (resid 153 and name HG12) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=2251, id=1918, vol=2.850000e+06
assign (resid 153 and name HN) (resid 153 and name HG11) 2.814 0.990 2.49 weight 1.000 ! spec=HNH, no=2252, id=1919, vol=3.060000e+06
assign (resid 118 and name HN) (resid 117 and name HA) 1.916 0.459 1.959 weight 1.000 ! spec=HNH, no=2254, id=1920, vol=3.070000e+07
assign (resid 118 and name HN) (resid 117 and name HB2) 2.748 0.944 2.444 weight 1.000 ! spec=HNH, no=2255, id=1921, vol=3.530000e+06
assign (resid 118 and name HN) (resid 118 and name HG22) 2.779 0.965 2.465 weight 1.000 ! spec=HNH, no=2259, id=1925, vol=3.300000e+06
    or (resid  118 and name   HN) (resid  118 and name HG21)
    or (resid  118 and name   HN) (resid  118 and name HG23)
assign (resid 118 and name HN) (resid 118 and name HA) 2.330 0.679 2.179 weight 1.000 ! spec=HNH, no=2260, id=1926, vol=9.500000e+06
assign (resid 115 and name HN) (resid 111 and name HB2) 2.427 0.737 2.237 weight 1.000 ! spec=HNH, no=2264, id=1929, vol=7.430000e+06
assign (resid 122 and name HN) (resid 122 and name HB1) 2.299 0.661 2.161 weight 1.000 ! spec=HNH, no=2265, id=1930, vol=1.030000e+07
assign (resid 122 and name HN) (resid 3 and name HD12) 3.711 1.721 3.221 weight 1.000 ! spec=HNH, no=2267, id=1932, vol=5.820000e+05
    or (resid  122 and name   HN) (resid    3 and name HD11)
    or (resid  122 and name   HN) (resid    3 and name HD13)
assign (resid 127 and name HN) (resid 127 and name HB1) 2.359 0.696 2.196 weight 1.000 ! spec=HNH, no=2269, id=1933, vol=8.810000e+06
assign (resid 127 and name HN) (resid 127 and name HB2) 2.751 0.946 2.446 weight 1.000 ! spec=HNH, no=2270, id=1934, vol=3.510000e+06
assign (resid 127 and name HN) (resid 127 and name HG2) 2.868 1.028 2.528 weight 1.000 ! spec=HNH, no=2271, id=1935, vol=2.730000e+06
    or (resid  127 and name   HN) (resid  127 and name  HG1)
assign (resid 127 and name HN) (resid 127 and name HA) 2.320 0.673 2.173 weight 1.000 ! spec=HNH, no=2274, id=1938, vol=9.740000e+06
assign (resid 157 and name HN) (resid 157 and name HG12) 2.749 0.945 2.445 weight 1.000 ! spec=HNH, no=2276, id=1940, vol=3.520000e+06
assign (resid 172 and name HN) (resid 171 and name HA) 1.834 0.420 1.92 weight 1.000 ! spec=HNH, no=2278, id=1942, vol=4.000000e+07
assign (resid 132 and name HN) (resid 127 and name HG2) 3.039 1.154 2.654 weight 1.000 ! spec=HNH, no=2279, id=1943, vol=1.930000e+06
    or (resid  132 and name   HN) (resid  127 and name  HG1)
assign (resid 132 and name HN) (resid 127 and name HB2) 2.905 1.055 2.555 weight 1.000 ! spec=HNH, no=2280, id=1944, vol=2.530000e+06
assign (resid 132 and name HN) (resid 127 and name HB1) 2.987 1.115 2.615 weight 1.000 ! spec=HNH, no=2281, id=1945, vol=2.140000e+06
assign (resid 172 and name HN) (resid 172 and name HD12) 3.180 1.264 2.764 weight 1.000 ! spec=HNH, no=2284, id=1948, vol=1.470000e+06
    or (resid  172 and name   HN) (resid  172 and name HD11)
    or (resid  172 and name   HN) (resid  172 and name HD13)
assign (resid 172 and name HN) (resid 172 and name HG22) 3.411 1.454 2.954 weight 1.000 ! spec=HNH, no=2285, id=1949, vol=9.650000e+05
    or (resid  172 and name   HN) (resid  172 and name HG21)
    or (resid  172 and name   HN) (resid  172 and name HG23)
assign (resid 139 and name HN) (resid 139 and name HB2) 2.726 0.929 2.429 weight 1.000 ! spec=HNH, no=2294, id=1956, vol=3.700000e+06
assign (resid 154 and name HN) (resid 153 and name HG11) 3.836 1.839 3.339 weight 1.000 ! spec=HNH, no=2301, id=1960, vol=4.770000e+05
assign (resid 154 and name HN) (resid 154 and name HB1) 2.503 0.783 2.283 weight 1.000 ! spec=HNH, no=2305, id=1964, vol=6.180000e+06
assign (resid 154 and name HN) (resid 154 and name HG2) 2.848 1.014 2.514 weight 1.000 ! spec=HNH, no=2306, id=1965, vol=2.850000e+06
    or (resid  154 and name   HN) (resid  154 and name  HG1)
assign (resid 154 and name HN) (resid 154 and name HB2) 2.768 0.958 2.458 weight 1.000 ! spec=HNH, no=2307, id=1966, vol=3.380000e+06
assign (resid 157 and name HN) (resid 157 and name HA) 2.710 0.918 2.418 weight 1.000 ! spec=HNH, no=2313, id=1971, vol=3.840000e+06
assign (resid 158 and name HN) (resid 158 and name HB) 2.361 0.697 2.197 weight 1.000 ! spec=HNH, no=2319, id=1976, vol=8.780000e+06
assign (resid 158 and name HN) (resid 158 and name HG12) 3.055 1.167 2.667 weight 1.000 ! spec=HNH, no=2320, id=1977, vol=1.870000e+06
assign (resid 158 and name HN) (resid 158 and name HG11) 2.866 1.027 2.527 weight 1.000 ! spec=HNH, no=2321, id=1978, vol=2.740000e+06
assign (resid 154 and name HN) (resid 148 and name HB2) 2.789 0.972 2.472 weight 1.000 ! spec=HNH, no=2328, id=1985, vol=3.230000e+06
assign (resid 129 and name HN) (resid 9 and name HA) 3.797 1.802 3.302 weight 1.000 ! spec=HNH, no=2329, id=1986, vol=5.070000e+05
assign (resid 159 and name HN) (resid 159 and name HA) 2.723 0.927 2.427 weight 1.000 ! spec=HNH, no=2331, id=1988, vol=3.730000e+06
assign (resid 165 and name HN) (resid 164 and name HB1) 3.214 1.291 2.791 weight 1.000 ! spec=HNH, no=2335, id=1991, vol=1.380000e+06
assign (resid 165 and name HN) (resid 165 and name HB1) 2.481 0.770 2.27 weight 1.000 ! spec=HNH, no=2337, id=1993, vol=6.510000e+06
assign (resid 165 and name HN) (resid 164 and name HA) 2.046 0.523 2.023 weight 1.000 ! spec=HNH, no=2339, id=1995, vol=2.070000e+07
assign (resid 97 and name HN) (resid 29 and name HA) 3.563 1.587 3.087 weight 1.000 ! spec=HNH, no=2349, id=2001, vol=7.430000e+05

      

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   2           HT1      GLY   2 -10.964   5.173  -0.931
    2    H2   GLY   2           HT2      GLY   2 -10.886   6.279  -2.200
    3    H3   GLY   2           HT3      GLY   2 -12.302   6.123  -1.307
    4    HA2  GLY   2           HA1      GLY   2 -11.009   8.115  -0.661
    5    HA3  GLY   2           HA2      GLY   2 -11.148   6.955   0.664
    6    H    ILE   3           HN       ILE   3  -9.136   6.994  -2.241
    7    HA   ILE   3           HA       ILE   3  -6.794   7.073  -0.502
    8    HB   ILE   3           HB       ILE   3  -7.445   4.708  -0.938
    9   HG12  ILE   3          HG12      ILE   3  -5.224   3.867  -1.639
   10   HG13  ILE   3          HG11      ILE   3  -4.753   5.483  -2.130
   11   HG21  ILE   3          HG21      ILE   3  -8.399   4.885  -3.113
   12   HG22  ILE   3          HG22      ILE   3  -7.088   3.704  -3.145
   13   HG23  ILE   3          HG23      ILE   3  -6.839   5.321  -3.812
   14   HD11  ILE   3          HD11      ILE   3  -5.460   4.597   0.662
   15   HD12  ILE   3          HD12      ILE   3  -5.004   6.237   0.199
   16   HD13  ILE   3          HD13      ILE   3  -3.843   4.924   0.046
   17    H    LYS   4           HN       LYS   4  -8.360   8.229  -3.321
   18    HA   LYS   4           HA       LYS   4  -5.882   8.652  -4.770
   19    HB2  LYS   4           HB2      LYS   4  -8.759   9.048  -5.512
   20    HB3  LYS   4           HB1      LYS   4  -7.425   9.570  -6.530
   21    HG2  LYS   4           HG2      LYS   4  -6.647   7.279  -6.721
   22    HG3  LYS   4           HG1      LYS   4  -7.935   6.744  -5.643
   23    HD2  LYS   4           HD2      LYS   4  -8.422   8.151  -8.257
   24    HD3  LYS   4           HD1      LYS   4  -8.356   6.399  -8.087
   25    HE2  LYS   4           HE2      LYS   4 -10.303   8.260  -6.717
   26    HE3  LYS   4           HE1      LYS   4 -10.658   7.152  -8.037
   27    HZ1  LYS   4           HZ1      LYS   4 -10.000   6.475  -5.223
   28    HZ2  LYS   4           HZ2      LYS   4  -9.762   5.389  -6.473
   29    HZ3  LYS   4           HZ3      LYS   4 -11.320   5.945  -6.153
   30    H    GLN   5           HN       GLN   5  -8.273  10.310  -2.938
   31    HA   GLN   5           HA       GLN   5  -7.640  12.915  -3.782
   32    HB2  GLN   5           HB2      GLN   5  -8.828  13.683  -1.776
   33    HB3  GLN   5           HB1      GLN   5  -9.721  12.448  -2.649
   34    HG2  GLN   5           HG2      GLN   5  -8.968  10.775  -1.014
   35    HG3  GLN   5           HG1      GLN   5  -8.126  12.048  -0.129
   36   HE21  GLN   5          HE21      GLN   5 -11.181  10.756  -1.026
   37   HE22  GLN   5          HE22      GLN   5 -12.122  11.639   0.144
   38    H    TYR   6           HN       TYR   6  -5.718  10.821  -2.085
   39    HA   TYR   6           HA       TYR   6  -4.514  12.818  -0.399
   40    HB2  TYR   6           HB2      TYR   6  -3.780   9.932  -0.818
   41    HB3  TYR   6           HB1      TYR   6  -2.991  11.005   0.327
   42    HD1  TYR   6           HD2      TYR   6  -5.067  12.371   1.711
   43    HD2  TYR   6           HD1      TYR   6  -5.068   8.388   0.243
   44    HE1  TYR   6           HE2      TYR   6  -6.750  11.755   3.396
   45    HE2  TYR   6           HE1      TYR   6  -6.746   7.763   1.920
   46    HH   TYR   6           HH       TYR   6  -8.524  10.007   3.626
   47    H    SER   7           HN       SER   7  -2.499  13.464  -0.485
   48    HA   SER   7           HA       SER   7  -1.278  13.893  -3.105
   49    HB2  SER   7           HB2      SER   7  -0.310  14.814  -0.410
   50    HB3  SER   7           HB1      SER   7  -0.120  15.604  -1.979
   51    HG   SER   7           HG       SER   7  -2.384  15.409  -0.320
   52    H    GLN   8           HN       GLN   8   1.207  13.918  -2.971
   53    HA   GLN   8           HA       GLN   8   1.960  11.256  -3.203
   54    HB2  GLN   8           HB2      GLN   8   2.941  13.102  -4.422
   55    HB3  GLN   8           HB1      GLN   8   3.666  13.697  -2.934
   56    HG2  GLN   8           HG2      GLN   8   4.864  11.534  -2.759
   57    HG3  GLN   8           HG1      GLN   8   4.160  11.163  -4.334
   58   HE21  GLN   8          HE21      GLN   8   6.982  11.647  -3.423
   59   HE22  GLN   8          HE22      GLN   8   7.601  12.805  -4.537
   60    H    GLU   9           HN       GLU   9   3.008  13.621  -0.748
   61    HA   GLU   9           HA       GLU   9   4.595  11.746   0.721
   62    HB2  GLU   9           HB2      GLU   9   3.473  14.420   1.544
   63    HB3  GLU   9           HB1      GLU   9   4.802  13.572   2.318
   64    HG2  GLU   9           HG2      GLU   9   6.203  13.855   0.432
   65    HG3  GLU   9           HG1      GLU   9   4.866  14.441  -0.551
   66    H    GLU  10           HN       GLU  10   1.438  12.867   0.719
   67    HA   GLU  10           HA       GLU  10   0.518  12.171   3.288
   68    HB2  GLU  10           HB2      GLU  10  -0.348  13.851   1.689
   69    HB3  GLU  10           HB1      GLU  10  -0.865  12.539   0.651
   70    HG2  GLU  10           HG2      GLU  10  -2.626  11.989   2.133
   71    HG3  GLU  10           HG1      GLU  10  -1.916  12.915   3.457
   72    H    LEU  11           HN       LEU  11   0.378  10.600   0.104
   73    HA   LEU  11           HA       LEU  11  -0.816   8.169   0.944
   74    HB2  LEU  11           HB2      LEU  11   0.797   8.951  -1.452
   75    HB3  LEU  11           HB1      LEU  11   0.167   7.328  -1.228
   76    HG   LEU  11           HG       LEU  11  -1.601   9.765  -1.296
   77   HD11  LEU  11          HD11      LEU  11  -0.329   9.573  -3.384
   78   HD12  LEU  11          HD12      LEU  11  -2.037   9.197  -3.624
   79   HD13  LEU  11          HD13      LEU  11  -0.846   7.896  -3.545
   80   HD21  LEU  11          HD21      LEU  11  -2.090   6.810  -1.653
   81   HD22  LEU  11          HD22      LEU  11  -3.302   8.072  -1.832
   82   HD23  LEU  11          HD23      LEU  11  -2.561   7.783  -0.259
   83    H    LYS  12           HN       LYS  12   2.484   9.274   0.662
   84    HA   LYS  12           HA       LYS  12   3.911   6.896   0.902
   85    HB2  LYS  12           HB2      LYS  12   4.408   9.736   1.426
   86    HB3  LYS  12           HB1      LYS  12   5.434   8.641   2.324
   87    HG2  LYS  12           HG2      LYS  12   5.135   8.427  -0.655
   88    HG3  LYS  12           HG1      LYS  12   6.276   9.546   0.089
   89    HD2  LYS  12           HD2      LYS  12   7.216   7.571   1.364
   90    HD3  LYS  12           HD1      LYS  12   6.220   6.541   0.341
   91    HE2  LYS  12           HE2      LYS  12   7.390   7.154  -1.614
   92    HE3  LYS  12           HE1      LYS  12   8.160   8.530  -0.825
   93    HZ1  LYS  12           HZ1      LYS  12   8.725   5.661  -0.212
   94    HZ2  LYS  12           HZ2      LYS  12   9.429   6.995   0.523
   95    HZ3  LYS  12           HZ3      LYS  12   9.730   6.704  -1.086
   96    H    GLU  13           HN       GLU  13   2.530   8.929   3.427
   97    HA   GLU  13           HA       GLU  13   3.569   7.132   5.419
   98    HB2  GLU  13           HB2      GLU  13   2.626   8.823   7.053
   99    HB3  GLU  13           HB1      GLU  13   3.944   9.340   6.017
  100    HG2  GLU  13           HG2      GLU  13   2.139  10.322   4.505
  101    HG3  GLU  13           HG1      GLU  13   1.048  10.082   5.870
  102    H    MET  14           HN       MET  14   1.040   6.860   3.581
  103    HA   MET  14           HA       MET  14  -0.923   5.973   5.512
  104    HB2  MET  14           HB2      MET  14  -0.658   5.663   2.519
  105    HB3  MET  14           HB1      MET  14  -1.916   4.840   3.416
  106    HG2  MET  14           HG2      MET  14  -1.549   7.826   3.404
  107    HG3  MET  14           HG1      MET  14  -2.582   6.965   2.266
  108    HE1  MET  14           HE1      MET  14  -5.342   5.466   4.630
  109    HE2  MET  14           HE2      MET  14  -3.870   4.652   4.120
  110    HE3  MET  14           HE3      MET  14  -4.781   5.627   2.966
  111    H    ALA  15           HN       ALA  15  -1.277   3.833   6.149
  112    HA   ALA  15           HA       ALA  15   0.947   2.103   6.122
  113    HB1  ALA  15           HB1      ALA  15  -1.936   1.514   6.808
  114    HB2  ALA  15           HB2      ALA  15  -0.729   2.135   7.927
  115    HB3  ALA  15           HB3      ALA  15  -0.553   0.517   7.258
  116    H    LEU  16           HN       LEU  16   1.396   0.408   4.873
  117    HA   LEU  16           HA       LEU  16   0.494   0.606   2.248
  118    HB2  LEU  16           HB2      LEU  16   1.934  -1.366   1.689
  119    HB3  LEU  16           HB1      LEU  16   2.744  -0.007   2.422
  120    HG   LEU  16           HG       LEU  16   2.027  -2.514   3.988
  121   HD11  LEU  16          HD11      LEU  16   4.314  -3.237   3.597
  122   HD12  LEU  16          HD12      LEU  16   4.613  -1.815   2.605
  123   HD13  LEU  16          HD13      LEU  16   3.488  -3.046   2.047
  124   HD21  LEU  16          HD21      LEU  16   3.886  -1.758   5.426
  125   HD22  LEU  16          HD22      LEU  16   2.595  -0.578   5.400
  126   HD23  LEU  16          HD23      LEU  16   4.055  -0.308   4.446
  127    H    VAL  17           HN       VAL  17  -0.377  -1.875   4.625
  128    HA   VAL  17           HA       VAL  17  -1.896  -3.317   2.691
  129    HB   VAL  17           HB       VAL  17  -1.083  -4.323   4.866
  130   HG11  VAL  17          HG11      VAL  17  -2.428  -4.091   6.883
  131   HG12  VAL  17          HG12      VAL  17  -3.409  -2.867   6.081
  132   HG13  VAL  17          HG13      VAL  17  -1.707  -2.553   6.401
  133   HG21  VAL  17          HG21      VAL  17  -2.687  -5.516   3.507
  134   HG22  VAL  17          HG22      VAL  17  -4.014  -4.628   4.251
  135   HG23  VAL  17          HG23      VAL  17  -3.058  -5.751   5.215
  136    H    GLU  18           HN       GLU  18  -2.527  -0.566   4.646
  137    HA   GLU  18           HA       GLU  18  -5.361  -0.684   4.421
  138    HB2  GLU  18           HB2      GLU  18  -3.584   1.659   5.110
  139    HB3  GLU  18           HB1      GLU  18  -5.337   1.656   5.234
  140    HG2  GLU  18           HG2      GLU  18  -3.413  -0.045   6.798
  141    HG3  GLU  18           HG1      GLU  18  -4.411   1.276   7.410
  142    H    ILE  19           HN       ILE  19  -2.802   0.916   2.659
  143    HA   ILE  19           HA       ILE  19  -4.344   2.394   0.836
  144    HB   ILE  19           HB       ILE  19  -1.732   0.944   0.249
  145   HG12  ILE  19          HG12      ILE  19  -2.175   3.801   1.157
  146   HG13  ILE  19          HG11      ILE  19  -1.567   2.499   2.171
  147   HG21  ILE  19          HG21      ILE  19  -1.433   2.632  -1.520
  148   HG22  ILE  19          HG22      ILE  19  -3.045   3.259  -1.185
  149   HG23  ILE  19          HG23      ILE  19  -2.849   1.617  -1.799
  150   HD11  ILE  19          HD11      ILE  19  -0.208   3.633  -0.268
  151   HD12  ILE  19          HD12      ILE  19   0.406   2.313   0.725
  152   HD13  ILE  19          HD13      ILE  19   0.241   3.930   1.411
  153    H    ALA  20           HN       ALA  20  -3.150  -0.897   0.697
  154    HA   ALA  20           HA       ALA  20  -4.291  -1.653  -1.741
  155    HB1  ALA  20           HB1      ALA  20  -2.511  -2.921  -0.624
  156    HB2  ALA  20           HB2      ALA  20  -3.879  -3.947  -1.049
  157    HB3  ALA  20           HB3      ALA  20  -3.656  -3.420   0.620
  158    H    HIS  21           HN       HIS  21  -5.554  -1.932   1.571
  159    HA   HIS  21           HA       HIS  21  -7.954  -3.226   1.123
  160    HB2  HIS  21           HB2      HIS  21  -7.140  -2.613   3.362
  161    HB3  HIS  21           HB1      HIS  21  -7.405  -0.906   3.000
  162    HD1  HIS  21           HD1      HIS  21  -9.892  -0.025   3.155
  163    HD2  HIS  21           HD2      HIS  21  -9.411  -4.067   4.060
  164    HE1  HIS  21           HE1      HIS  21 -12.002  -0.727   4.242
  165    HE2  HIS  21           HE2      HIS  21 -11.586  -3.075   5.010
  166    H    GLU  22           HN       GLU  22  -7.272   0.236   0.840
  167    HA   GLU  22           HA       GLU  22  -9.915   0.989   0.131
  168    HB2  GLU  22           HB2      GLU  22  -7.350   2.440  -0.384
  169    HB3  GLU  22           HB1      GLU  22  -8.952   3.171  -0.311
  170    HG2  GLU  22           HG2      GLU  22  -7.389   1.952   1.975
  171    HG3  GLU  22           HG1      GLU  22  -7.758   3.654   1.741
  172    H    LEU  23           HN       LEU  23  -7.020   0.226  -1.597
  173    HA   LEU  23           HA       LEU  23  -7.617   0.910  -4.220
  174    HB2  LEU  23           HB2      LEU  23  -5.459   0.187  -3.289
  175    HB3  LEU  23           HB1      LEU  23  -6.087  -1.427  -3.114
  176    HG   LEU  23           HG       LEU  23  -6.088  -1.702  -5.584
  177   HD11  LEU  23          HD11      LEU  23  -6.567   0.683  -6.114
  178   HD12  LEU  23          HD12      LEU  23  -5.170   0.038  -6.965
  179   HD13  LEU  23          HD13      LEU  23  -4.939   1.093  -5.568
  180   HD21  LEU  23          HD21      LEU  23  -3.680  -1.604  -5.828
  181   HD22  LEU  23          HD22      LEU  23  -4.159  -2.220  -4.233
  182   HD23  LEU  23          HD23      LEU  23  -3.605  -0.558  -4.400
  183    H    PHE  24           HN       PHE  24  -8.416  -1.965  -2.343
  184    HA   PHE  24           HA       PHE  24  -9.641  -3.231  -4.554
  185    HB2  PHE  24           HB2      PHE  24  -9.473  -4.017  -1.674
  186    HB3  PHE  24           HB1      PHE  24 -10.458  -4.928  -2.823
  187    HD1  PHE  24           HD2      PHE  24  -9.322  -5.560  -5.018
  188    HD2  PHE  24           HD1      PHE  24  -7.219  -4.538  -1.493
  189    HE1  PHE  24           HE2      PHE  24  -7.339  -6.655  -5.893
  190    HE2  PHE  24           HE1      PHE  24  -5.204  -5.629  -2.378
  191    HZ   PHE  24           HZ       PHE  24  -5.272  -6.696  -4.587
  192    H    GLU  25           HN       GLU  25 -10.954  -1.382  -1.866
  193    HA   GLU  25           HA       GLU  25 -13.576  -1.872  -2.858
  194    HB2  GLU  25           HB2      GLU  25 -12.510  -0.189  -0.696
  195    HB3  GLU  25           HB1      GLU  25 -14.000   0.391  -1.443
  196    HG2  GLU  25           HG2      GLU  25 -13.549  -2.315  -0.217
  197    HG3  GLU  25           HG1      GLU  25 -14.556  -1.009   0.425
  198    H    GLU  26           HN       GLU  26 -11.158   0.254  -3.747
  199    HA   GLU  26           HA       GLU  26 -12.707   2.103  -5.251
  200    HB2  GLU  26           HB2      GLU  26 -10.474   2.676  -4.676
  201    HB3  GLU  26           HB1      GLU  26  -9.851   1.185  -5.359
  202    HG2  GLU  26           HG2      GLU  26 -10.566   1.976  -7.589
  203    HG3  GLU  26           HG1      GLU  26 -11.002   3.515  -6.851
  204    H    HIS  27           HN       HIS  27 -10.858  -0.766  -6.091
  205    HA   HIS  27           HA       HIS  27 -11.735  -0.683  -8.804
  206    HB2  HIS  27           HB2      HIS  27 -10.036  -2.624  -7.267
  207    HB3  HIS  27           HB1      HIS  27 -10.589  -3.002  -8.891
  208    HD1  HIS  27           HD1      HIS  27  -8.673  -0.062  -7.207
  209    HD2  HIS  27           HD2      HIS  27  -8.833  -2.204 -10.783
  210    HE1  HIS  27           HE1      HIS  27  -6.861   0.836  -8.610
  211    HE2  HIS  27           HE2      HIS  27  -6.763  -0.601 -10.592
  212    H    LYS  28           HN       LYS  28 -12.694  -2.539  -5.953
  213    HA   LYS  28           HA       LYS  28 -14.319  -3.983  -5.529
  214    HB2  LYS  28           HB2      LYS  28 -15.571  -2.373  -7.735
  215    HB3  LYS  28           HB1      LYS  28 -16.439  -3.743  -7.056
  216    HG2  LYS  28           HG2      LYS  28 -16.486  -2.762  -4.897
  217    HG3  LYS  28           HG1      LYS  28 -15.338  -1.512  -5.372
  218    HD2  LYS  28           HD2      LYS  28 -16.933  -0.453  -6.762
  219    HD3  LYS  28           HD1      LYS  28 -18.037  -1.825  -6.653
  220    HE2  LYS  28           HE2      LYS  28 -18.663   0.170  -5.271
  221    HE3  LYS  28           HE1      LYS  28 -18.552  -1.346  -4.394
  222    HZ1  LYS  28           HZ1      LYS  28 -16.320   0.631  -4.456
  223    HZ2  LYS  28           HZ2      LYS  28 -16.566  -0.624  -3.318
  224    HZ3  LYS  28           HZ3      LYS  28 -17.567   0.692  -3.352
  225    H    LYS  29           HN       LYS  29 -12.212  -4.700  -7.119
  226    HA   LYS  29           HA       LYS  29 -13.201  -7.078  -8.443
  227    HB2  LYS  29           HB2      LYS  29 -11.333  -5.007  -9.608
  228    HB3  LYS  29           HB1      LYS  29 -11.431  -6.642 -10.225
  229    HG2  LYS  29           HG2      LYS  29 -13.773  -4.750 -10.117
  230    HG3  LYS  29           HG1      LYS  29 -12.701  -4.905 -11.509
  231    HD2  LYS  29           HD2      LYS  29 -14.306  -7.172 -10.310
  232    HD3  LYS  29           HD1      LYS  29 -14.791  -6.239 -11.723
  233    HE2  LYS  29           HE2      LYS  29 -12.706  -6.942 -12.857
  234    HE3  LYS  29           HE1      LYS  29 -12.307  -7.933 -11.463
  235    HZ1  LYS  29           HZ1      LYS  29 -14.299  -9.226 -11.847
  236    HZ2  LYS  29           HZ2      LYS  29 -13.292  -9.231 -13.183
  237    HZ3  LYS  29           HZ3      LYS  29 -14.688  -8.281 -13.199
  238    HA   PRO  30           HA       PRO  30  -9.601  -8.508  -6.108
  239    HB2  PRO  30           HB2      PRO  30  -9.568 -10.772  -8.002
  240    HB3  PRO  30           HB1      PRO  30  -9.793 -10.801  -6.251
  241    HG2  PRO  30           HG2      PRO  30 -11.812 -11.339  -7.926
  242    HG3  PRO  30           HG1      PRO  30 -12.073 -10.472  -6.405
  243    HD2  PRO  30           HD2      PRO  30 -11.880  -9.383  -9.186
  244    HD3  PRO  30           HD1      PRO  30 -12.999  -8.956  -7.868
  245    H    VAL  31           HN       VAL  31  -7.427  -8.234  -6.517
  246    HA   VAL  31           HA       VAL  31  -6.676  -7.915  -9.327
  247    HB   VAL  31           HB       VAL  31  -5.765  -6.050  -7.092
  248   HG11  VAL  31          HG11      VAL  31  -5.239  -5.930 -10.049
  249   HG12  VAL  31          HG12      VAL  31  -4.071  -6.328  -8.789
  250   HG13  VAL  31          HG13      VAL  31  -4.765  -4.709  -8.868
  251   HG21  VAL  31          HG21      VAL  31  -7.667  -5.470  -9.371
  252   HG22  VAL  31          HG22      VAL  31  -7.064  -4.292  -8.209
  253   HG23  VAL  31          HG23      VAL  31  -8.107  -5.608  -7.670
  254    HA   PRO  32           HA       PRO  32  -3.376 -10.739  -8.162
  255    HB2  PRO  32           HB2      PRO  32  -2.162  -9.398 -10.538
  256    HB3  PRO  32           HB1      PRO  32  -2.281 -11.125 -10.161
  257    HG2  PRO  32           HG2      PRO  32  -3.905 -10.126 -11.955
  258    HG3  PRO  32           HG1      PRO  32  -4.564 -11.205 -10.708
  259    HD2  PRO  32           HD2      PRO  32  -4.662  -8.210 -10.855
  260    HD3  PRO  32           HD1      PRO  32  -5.949  -9.374 -10.450
  261    H    PHE  33           HN       PHE  33  -1.281 -10.610  -7.425
  262    HA   PHE  33           HA       PHE  33  -0.771  -8.475  -5.733
  263    HB2  PHE  33           HB2      PHE  33  -0.005 -10.804  -5.382
  264    HB3  PHE  33           HB1      PHE  33   1.207 -10.566  -6.648
  265    HD1  PHE  33           HD1      PHE  33   0.163  -9.627  -3.257
  266    HD2  PHE  33           HD2      PHE  33   3.221  -9.353  -6.199
  267    HE1  PHE  33           HE1      PHE  33   1.712  -8.759  -1.561
  268    HE2  PHE  33           HE2      PHE  33   4.773  -8.481  -4.507
  269    HZ   PHE  33           HZ       PHE  33   4.018  -8.180  -2.184
  270    H    GLN  34           HN       GLN  34   0.750  -9.227  -8.846
  271    HA   GLN  34           HA       GLN  34   2.686  -7.166  -8.691
  272    HB2  GLN  34           HB2      GLN  34   1.506  -8.516 -11.126
  273    HB3  GLN  34           HB1      GLN  34   2.878  -7.431 -11.165
  274    HG2  GLN  34           HG2      GLN  34   2.938  -9.886  -9.458
  275    HG3  GLN  34           HG1      GLN  34   3.263  -9.986 -11.180
  276   HE21  GLN  34          HE21      GLN  34   4.307  -7.174  -9.316
  277   HE22  GLN  34          HE22      GLN  34   5.973  -7.567  -9.361
  278    H    GLU  35           HN       GLU  35  -0.674  -7.183  -9.741
  279    HA   GLU  35           HA       GLU  35  -0.293  -4.778 -11.231
  280    HB2  GLU  35           HB2      GLU  35  -2.770  -6.395 -10.688
  281    HB3  GLU  35           HB1      GLU  35  -2.696  -4.984 -11.738
  282    HG2  GLU  35           HG2      GLU  35  -1.027  -6.135 -13.129
  283    HG3  GLU  35           HG1      GLU  35  -1.189  -7.556 -12.102
  284    H    LEU  36           HN       LEU  36  -1.717  -5.772  -8.189
  285    HA   LEU  36           HA       LEU  36  -2.851  -3.280  -7.634
  286    HB2  LEU  36           HB2      LEU  36  -2.945  -4.034  -5.256
  287    HB3  LEU  36           HB1      LEU  36  -3.629  -5.169  -6.387
  288    HG   LEU  36           HG       LEU  36  -1.362  -6.398  -6.204
  289   HD11  LEU  36          HD11      LEU  36  -1.218  -4.846  -3.636
  290   HD12  LEU  36          HD12      LEU  36  -0.203  -4.588  -5.049
  291   HD13  LEU  36          HD13      LEU  36  -0.134  -6.131  -4.200
  292   HD21  LEU  36          HD21      LEU  36  -2.107  -7.600  -4.199
  293   HD22  LEU  36          HD22      LEU  36  -3.409  -7.318  -5.349
  294   HD23  LEU  36          HD23      LEU  36  -3.284  -6.323  -3.892
  295    H    LEU  37           HN       LEU  37   0.416  -4.440  -7.219
  296    HA   LEU  37           HA       LEU  37   1.356  -2.287  -5.643
  297    HB2  LEU  37           HB2      LEU  37   2.681  -4.197  -7.515
  298    HB3  LEU  37           HB1      LEU  37   3.603  -3.027  -6.572
  299    HG   LEU  37           HG       LEU  37   1.873  -5.247  -5.476
  300   HD11  LEU  37          HD11      LEU  37   4.855  -5.036  -5.816
  301   HD12  LEU  37          HD12      LEU  37   3.768  -6.154  -6.641
  302   HD13  LEU  37          HD13      LEU  37   4.021  -6.292  -4.903
  303   HD21  LEU  37          HD21      LEU  37   3.813  -3.364  -4.123
  304   HD22  LEU  37          HD22      LEU  37   3.014  -4.736  -3.357
  305   HD23  LEU  37          HD23      LEU  37   2.059  -3.372  -3.928
  306    H    ASN  38           HN       ASN  38   1.137  -2.890  -9.086
  307    HA   ASN  38           HA       ASN  38   2.424  -0.558 -10.007
  308    HB2  ASN  38           HB2      ASN  38   0.399  -2.405 -11.232
  309    HB3  ASN  38           HB1      ASN  38   0.817  -0.915 -12.062
  310   HD21  ASN  38          HD21      ASN  38   2.026  -4.030 -10.966
  311   HD22  ASN  38          HD22      ASN  38   3.431  -4.022 -11.942
  312    H    GLU  39           HN       GLU  39  -0.954  -1.205  -9.275
  313    HA   GLU  39           HA       GLU  39  -2.084   1.247  -9.948
  314    HB2  GLU  39           HB2      GLU  39  -2.879  -0.451  -7.580
  315    HB3  GLU  39           HB1      GLU  39  -3.881   0.696  -8.454
  316    HG2  GLU  39           HG2      GLU  39  -2.816  -1.902  -9.534
  317    HG3  GLU  39           HG1      GLU  39  -4.462  -1.605  -8.984
  318    H    ILE  40           HN       ILE  40  -0.796   0.127  -6.843
  319    HA   ILE  40           HA       ILE  40  -1.259   2.445  -5.333
  320    HB   ILE  40           HB       ILE  40   0.930   0.381  -4.949
  321   HG12  ILE  40          HG12      ILE  40  -1.755   0.593  -3.574
  322   HG13  ILE  40          HG11      ILE  40  -1.409  -0.496  -4.913
  323   HG21  ILE  40          HG21      ILE  40   0.952   1.151  -2.586
  324   HG22  ILE  40          HG22      ILE  40  -0.135   2.471  -3.044
  325   HG23  ILE  40          HG23      ILE  40   1.485   2.385  -3.728
  326   HD11  ILE  40          HD11      ILE  40   0.250  -1.649  -3.562
  327   HD12  ILE  40          HD12      ILE  40  -1.327  -1.655  -2.774
  328   HD13  ILE  40          HD13      ILE  40  -0.065  -0.552  -2.216
  329    H    ALA  41           HN       ALA  41   1.760   1.365  -6.879
  330    HA   ALA  41           HA       ALA  41   3.360   3.453  -6.031
  331    HB1  ALA  41           HB1      ALA  41   4.898   2.841  -7.777
  332    HB2  ALA  41           HB2      ALA  41   3.641   1.882  -8.574
  333    HB3  ALA  41           HB3      ALA  41   4.241   1.411  -6.979
  334    H    SER  42           HN       SER  42   1.513   3.244  -9.055
  335    HA   SER  42           HA       SER  42   2.422   5.812  -9.917
  336    HB2  SER  42           HB2      SER  42   0.099   4.176 -10.936
  337    HB3  SER  42           HB1      SER  42   0.889   5.522 -11.767
  338    HG   SER  42           HG       SER  42   2.801   3.907 -11.106
  339    H    LEU  43           HN       LEU  43  -0.213   4.786  -7.924
  340    HA   LEU  43           HA       LEU  43  -1.732   7.156  -8.208
  341    HB2  LEU  43           HB2      LEU  43  -2.631   5.092  -7.183
  342    HB3  LEU  43           HB1      LEU  43  -1.524   5.284  -5.841
  343    HG   LEU  43           HG       LEU  43  -2.672   7.342  -5.172
  344   HD11  LEU  43          HD11      LEU  43  -4.763   7.988  -6.247
  345   HD12  LEU  43          HD12      LEU  43  -4.541   6.726  -7.458
  346   HD13  LEU  43          HD13      LEU  43  -3.415   8.080  -7.372
  347   HD21  LEU  43          HD21      LEU  43  -3.394   5.203  -4.243
  348   HD22  LEU  43          HD22      LEU  43  -4.524   4.996  -5.581
  349   HD23  LEU  43          HD23      LEU  43  -4.754   6.308  -4.426
  350    H    LEU  44           HN       LEU  44   0.924   6.168  -6.180
  351    HA   LEU  44           HA       LEU  44   1.142   8.705  -4.859
  352    HB2  LEU  44           HB2      LEU  44   3.026   6.344  -5.052
  353    HB3  LEU  44           HB1      LEU  44   3.477   7.847  -4.288
  354    HG   LEU  44           HG       LEU  44   1.680   7.489  -2.615
  355   HD11  LEU  44          HD11      LEU  44   1.428   4.770  -3.871
  356   HD12  LEU  44          HD12      LEU  44   0.200   6.029  -3.877
  357   HD13  LEU  44          HD13      LEU  44   0.688   5.278  -2.353
  358   HD21  LEU  44          HD21      LEU  44   3.733   5.305  -2.844
  359   HD22  LEU  44          HD22      LEU  44   2.857   5.742  -1.374
  360   HD23  LEU  44          HD23      LEU  44   3.963   6.895  -2.118
  361    H    GLY  45           HN       GLY  45   2.715  10.215  -5.293
  362    HA2  GLY  45           HA2      GLY  45   3.484  10.413  -8.101
  363    HA3  GLY  45           HA1      GLY  45   3.722  11.657  -6.880
  364    H    VAL  46           HN       VAL  46   4.812   8.280  -6.876
  365    HA   VAL  46           HA       VAL  46   7.576   9.241  -6.756
  366    HB   VAL  46           HB       VAL  46   8.126   7.630  -5.028
  367   HG11  VAL  46          HG11      VAL  46   5.863   9.413  -4.181
  368   HG12  VAL  46          HG12      VAL  46   7.569   9.846  -4.277
  369   HG13  VAL  46          HG13      VAL  46   7.027   8.657  -3.093
  370   HG21  VAL  46          HG21      VAL  46   5.181   6.986  -4.958
  371   HG22  VAL  46          HG22      VAL  46   6.350   6.439  -3.755
  372   HG23  VAL  46          HG23      VAL  46   6.491   5.908  -5.432
  373    H    LYS  47           HN       LYS  47   9.080   7.315  -6.919
  374    HA   LYS  47           HA       LYS  47   8.410   5.820  -9.263
  375    HB2  LYS  47           HB2      LYS  47  10.682   4.981  -9.147
  376    HB3  LYS  47           HB1      LYS  47  10.710   6.705  -8.808
  377    HG2  LYS  47           HG2      LYS  47  10.866   6.201  -6.395
  378    HG3  LYS  47           HG1      LYS  47  10.908   4.483  -6.779
  379    HD2  LYS  47           HD2      LYS  47  13.158   5.134  -6.440
  380    HD3  LYS  47           HD1      LYS  47  12.959   4.987  -8.185
  381    HE2  LYS  47           HE2      LYS  47  14.206   6.977  -7.745
  382    HE3  LYS  47           HE1      LYS  47  12.592   7.459  -8.265
  383    HZ1  LYS  47           HZ1      LYS  47  13.631   7.422  -5.480
  384    HZ2  LYS  47           HZ2      LYS  47  12.043   7.703  -5.840
  385    HZ3  LYS  47           HZ3      LYS  47  13.217   8.780  -6.364
  386    H    LYS  48           HN       LYS  48   8.541   3.466  -9.313
  387    HA   LYS  48           HA       LYS  48   6.879   2.301  -7.348
  388    HB2  LYS  48           HB2      LYS  48   6.888   1.645  -9.712
  389    HB3  LYS  48           HB1      LYS  48   8.491   0.951  -9.518
  390    HG2  LYS  48           HG2      LYS  48   7.597  -0.597  -7.877
  391    HG3  LYS  48           HG1      LYS  48   5.980   0.046  -8.134
  392    HD2  LYS  48           HD2      LYS  48   7.688  -1.391 -10.217
  393    HD3  LYS  48           HD1      LYS  48   6.327  -2.077  -9.341
  394    HE2  LYS  48           HE2      LYS  48   5.521  -1.547 -11.510
  395    HE3  LYS  48           HE1      LYS  48   4.864  -0.338 -10.425
  396    HZ1  LYS  48           HZ1      LYS  48   5.626   0.537 -12.536
  397    HZ2  LYS  48           HZ2      LYS  48   7.217   0.117 -12.228
  398    HZ3  LYS  48           HZ3      LYS  48   6.429   1.276 -11.278
  399    H    GLU  49           HN       GLU  49  10.304   2.397  -7.812
  400    HA   GLU  49           HA       GLU  49  11.138   0.242  -6.305
  401    HB2  GLU  49           HB2      GLU  49  12.588   2.876  -6.598
  402    HB3  GLU  49           HB1      GLU  49  13.302   1.355  -6.096
  403    HG2  GLU  49           HG2      GLU  49  13.920   1.432  -8.310
  404    HG3  GLU  49           HG1      GLU  49  12.438   0.495  -8.396
  405    H    GLU  50           HN       GLU  50  10.021   3.324  -5.139
  406    HA   GLU  50           HA       GLU  50  10.915   3.284  -2.433
  407    HB2  GLU  50           HB2      GLU  50   8.183   4.170  -3.377
  408    HB3  GLU  50           HB1      GLU  50   9.078   4.768  -1.997
  409    HG2  GLU  50           HG2      GLU  50   9.853   5.177  -4.861
  410    HG3  GLU  50           HG1      GLU  50   8.928   6.313  -3.883
  411    H    LEU  51           HN       LEU  51   8.031   2.196  -4.068
  412    HA   LEU  51           HA       LEU  51   6.953   0.876  -1.803
  413    HB2  LEU  51           HB2      LEU  51   5.526   1.944  -3.520
  414    HB3  LEU  51           HB1      LEU  51   6.120   0.799  -4.696
  415    HG   LEU  51           HG       LEU  51   5.110  -1.025  -3.286
  416   HD11  LEU  51          HD11      LEU  51   4.902   0.147  -1.193
  417   HD12  LEU  51          HD12      LEU  51   3.324  -0.411  -1.742
  418   HD13  LEU  51          HD13      LEU  51   3.766   1.287  -1.914
  419   HD21  LEU  51          HD21      LEU  51   3.270   1.041  -4.473
  420   HD22  LEU  51          HD22      LEU  51   2.843  -0.633  -4.122
  421   HD23  LEU  51          HD23      LEU  51   4.072  -0.273  -5.334
  422    H    GLY  52           HN       GLY  52   9.444   0.194  -3.832
  423    HA2  GLY  52           HA2      GLY  52   9.107  -2.634  -4.255
  424    HA3  GLY  52           HA1      GLY  52  10.590  -1.706  -4.468
  425    H    ASP  53           HN       ASP  53  10.985  -0.566  -2.053
  426    HA   ASP  53           HA       ASP  53  12.007  -2.573  -0.327
  427    HB2  ASP  53           HB2      ASP  53  10.927   0.123   0.601
  428    HB3  ASP  53           HB1      ASP  53  12.110  -0.865   1.428
  429    H    ARG  54           HN       ARG  54   9.096  -0.683  -0.376
  430    HA   ARG  54           HA       ARG  54   7.883  -2.140   1.672
  431    HB2  ARG  54           HB2      ARG  54   6.918   0.019  -0.076
  432    HB3  ARG  54           HB1      ARG  54   5.693  -1.001   0.676
  433    HG2  ARG  54           HG2      ARG  54   6.702  -0.525   2.874
  434    HG3  ARG  54           HG1      ARG  54   7.862   0.543   2.088
  435    HD2  ARG  54           HD2      ARG  54   6.258   2.107   1.557
  436    HD3  ARG  54           HD1      ARG  54   4.916   0.981   1.707
  437    HE   ARG  54           HE       ARG  54   6.384   1.429   4.178
  438   HH11  ARG  54          HH11      ARG  54   3.673   2.744   2.271
  439   HH12  ARG  54          HH12      ARG  54   2.933   3.468   3.630
  440   HH21  ARG  54          HH21      ARG  54   5.391   2.368   5.934
  441   HH22  ARG  54          HH22      ARG  54   3.949   3.267   5.792
  442    H    ILE  55           HN       ILE  55   8.242  -3.126  -1.563
  443    HA   ILE  55           HA       ILE  55   5.904  -4.765  -1.736
  444    HB   ILE  55           HB       ILE  55   8.588  -4.998  -3.167
  445   HG12  ILE  55          HG12      ILE  55   5.854  -4.268  -4.220
  446   HG13  ILE  55          HG11      ILE  55   7.130  -3.124  -3.864
  447   HG21  ILE  55          HG21      ILE  55   7.600  -6.710  -4.639
  448   HG22  ILE  55          HG22      ILE  55   6.158  -6.733  -3.622
  449   HG23  ILE  55          HG23      ILE  55   7.710  -7.250  -2.962
  450   HD11  ILE  55          HD11      ILE  55   6.988  -3.539  -6.252
  451   HD12  ILE  55          HD12      ILE  55   7.205  -5.267  -5.982
  452   HD13  ILE  55          HD13      ILE  55   8.521  -4.154  -5.626
  453    H    ALA  56           HN       ALA  56   9.217  -5.299  -0.777
  454    HA   ALA  56           HA       ALA  56   8.956  -8.002  -0.057
  455    HB1  ALA  56           HB1      ALA  56  11.109  -6.856  -0.249
  456    HB2  ALA  56           HB2      ALA  56  10.930  -7.655   1.312
  457    HB3  ALA  56           HB3      ALA  56  10.719  -5.904   1.185
  458    H    GLN  57           HN       GLN  57   8.675  -5.073   1.897
  459    HA   GLN  57           HA       GLN  57   7.811  -6.463   4.198
  460    HB2  GLN  57           HB2      GLN  57   8.864  -4.299   4.420
  461    HB3  GLN  57           HB1      GLN  57   7.589  -3.536   3.492
  462    HG2  GLN  57           HG2      GLN  57   7.448  -3.159   5.964
  463    HG3  GLN  57           HG1      GLN  57   6.008  -3.841   5.213
  464   HE21  GLN  57          HE21      GLN  57   5.283  -4.654   7.173
  465   HE22  GLN  57          HE22      GLN  57   6.007  -6.019   7.942
  466    H    PHE  58           HN       PHE  58   6.160  -5.542   1.361
  467    HA   PHE  58           HA       PHE  58   3.577  -5.422   2.524
  468    HB2  PHE  58           HB2      PHE  58   4.207  -4.386   0.306
  469    HB3  PHE  58           HB1      PHE  58   4.256  -6.008  -0.360
  470    HD1  PHE  58           HD1      PHE  58   1.838  -4.206   1.865
  471    HD2  PHE  58           HD2      PHE  58   2.497  -6.346  -1.744
  472    HE1  PHE  58           HE1      PHE  58  -0.542  -4.015   1.325
  473    HE2  PHE  58           HE2      PHE  58   0.134  -6.166  -2.288
  474    HZ   PHE  58           HZ       PHE  58  -1.409  -4.999  -0.755
  475    H    TYR  59           HN       TYR  59   5.586  -7.944   1.100
  476    HA   TYR  59           HA       TYR  59   3.647  -9.985   1.179
  477    HB2  TYR  59           HB2      TYR  59   6.627 -10.124   1.605
  478    HB3  TYR  59           HB1      TYR  59   5.602 -11.545   1.599
  479    HD1  TYR  59           HD2      TYR  59   4.119 -11.816  -0.549
  480    HD2  TYR  59           HD1      TYR  59   7.650  -9.478  -0.323
  481    HE1  TYR  59           HE2      TYR  59   4.405 -12.030  -2.983
  482    HE2  TYR  59           HE1      TYR  59   7.955  -9.676  -2.748
  483    HH   TYR  59           HH       TYR  59   5.549 -10.832  -4.821
  484    H    THR  60           HN       THR  60   6.013  -8.923   3.575
  485    HA   THR  60           HA       THR  60   5.274 -10.647   5.616
  486    HB   THR  60           HB       THR  60   6.308  -7.821   5.876
  487    HG1  THR  60           HG1      THR  60   8.357  -8.819   5.689
  488   HG21  THR  60          HG21      THR  60   5.579  -8.798   8.004
  489   HG22  THR  60          HG22      THR  60   7.341  -8.698   7.948
  490   HG23  THR  60          HG23      THR  60   6.533 -10.241   7.682
  491    H    ASP  61           HN       ASP  61   4.149  -7.309   5.075
  492    HA   ASP  61           HA       ASP  61   2.452  -7.219   7.339
  493    HB2  ASP  61           HB2      ASP  61   3.463  -5.216   6.448
  494    HB3  ASP  61           HB1      ASP  61   2.634  -5.436   4.916
  495    H    LEU  62           HN       LEU  62   1.804  -7.787   3.918
  496    HA   LEU  62           HA       LEU  62  -1.007  -7.692   4.141
  497    HB2  LEU  62           HB2      LEU  62   0.197  -7.381   2.042
  498    HB3  LEU  62           HB1      LEU  62   0.757  -9.029   2.102
  499    HG   LEU  62           HG       LEU  62  -1.503  -9.834   1.731
  500   HD11  LEU  62          HD11      LEU  62  -2.729  -8.007   2.839
  501   HD12  LEU  62          HD12      LEU  62  -3.289  -8.227   1.183
  502   HD13  LEU  62          HD13      LEU  62  -2.205  -6.894   1.576
  503   HD21  LEU  62          HD21      LEU  62  -0.062  -9.374  -0.158
  504   HD22  LEU  62          HD22      LEU  62  -0.624  -7.703  -0.202
  505   HD23  LEU  62          HD23      LEU  62  -1.742  -9.022  -0.556
  506    H    ASN  63           HN       ASN  63   1.337 -10.256   4.579
  507    HA   ASN  63           HA       ASN  63  -0.735 -12.255   4.715
  508    HB2  ASN  63           HB2      ASN  63   2.256 -12.464   5.016
  509    HB3  ASN  63           HB1      ASN  63   1.203 -13.810   5.424
  510   HD21  ASN  63          HD21      ASN  63   2.568 -11.935   2.883
  511   HD22  ASN  63          HD22      ASN  63   2.036 -12.916   1.560
  512    H    ILE  64           HN       ILE  64   0.219  -9.985   6.921
  513    HA   ILE  64           HA       ILE  64  -0.581 -11.796   9.095
  514    HB   ILE  64           HB       ILE  64   0.403 -10.214  10.730
  515   HG12  ILE  64          HG12      ILE  64   1.483  -8.774   8.299
  516   HG13  ILE  64          HG11      ILE  64   0.255  -8.157   9.394
  517   HG21  ILE  64          HG21      ILE  64   2.342 -11.185   8.649
  518   HG22  ILE  64          HG22      ILE  64   1.710 -12.104  10.017
  519   HG23  ILE  64          HG23      ILE  64   2.760 -10.717  10.299
  520   HD11  ILE  64          HD11      ILE  64   3.127  -8.734  10.103
  521   HD12  ILE  64          HD12      ILE  64   1.899  -8.116  11.208
  522   HD13  ILE  64          HD13      ILE  64   2.421  -7.139   9.835
  523    H    ASP  65           HN       ASP  65  -1.919  -9.795   7.092
  524    HA   ASP  65           HA       ASP  65  -3.477  -8.083   8.811
  525    HB2  ASP  65           HB2      ASP  65  -3.070  -7.351   6.533
  526    HB3  ASP  65           HB1      ASP  65  -3.772  -8.836   5.896
  527    H    GLY  66           HN       GLY  66  -5.926  -8.241   8.910
  528    HA2  GLY  66           HA2      GLY  66  -6.717 -11.068   8.959
  529    HA3  GLY  66           HA1      GLY  66  -7.118  -9.930  10.259
  530    H    ARG  67           HN       ARG  67  -7.355  -8.660   6.988
  531    HA   ARG  67           HA       ARG  67 -10.243  -9.333   7.000
  532    HB2  ARG  67           HB2      ARG  67  -9.198  -6.662   6.038
  533    HB3  ARG  67           HB1      ARG  67 -10.873  -7.146   6.252
  534    HG2  ARG  67           HG2      ARG  67 -10.752  -6.087   8.202
  535    HG3  ARG  67           HG1      ARG  67  -9.831  -7.489   8.758
  536    HD2  ARG  67           HD2      ARG  67  -8.460  -5.680   9.317
  537    HD3  ARG  67           HD1      ARG  67  -7.786  -6.256   7.794
  538    HE   ARG  67           HE       ARG  67  -9.786  -4.203   7.587
  539   HH11  ARG  67          HH11      ARG  67  -6.293  -4.933   7.310
  540   HH12  ARG  67          HH12      ARG  67  -5.899  -3.274   7.085
  541   HH21  ARG  67          HH21      ARG  67  -9.129  -1.988   7.209
  542   HH22  ARG  67          HH22      ARG  67  -7.468  -1.611   7.040
  543    H    PHE  68           HN       PHE  68  -7.343  -8.869   5.210
  544    HA   PHE  68           HA       PHE  68  -8.344  -8.893   2.640
  545    HB2  PHE  68           HB2      PHE  68  -5.759  -9.173   3.911
  546    HB3  PHE  68           HB1      PHE  68  -5.898 -10.093   2.412
  547    HD1  PHE  68           HD2      PHE  68  -6.311  -6.702   3.871
  548    HD2  PHE  68           HD1      PHE  68  -5.825  -9.063   0.381
  549    HE1  PHE  68           HE2      PHE  68  -5.981  -4.659   2.526
  550    HE2  PHE  68           HE1      PHE  68  -5.499  -7.060  -0.954
  551    HZ   PHE  68           HZ       PHE  68  -5.576  -4.868   0.078
  552    H    LEU  69           HN       LEU  69  -7.936 -10.484   1.045
  553    HA   LEU  69           HA       LEU  69  -8.365 -13.251   1.868
  554    HB2  LEU  69           HB2      LEU  69 -10.541 -12.233   1.478
  555    HB3  LEU  69           HB1      LEU  69 -10.014 -11.639  -0.062
  556    HG   LEU  69           HG       LEU  69  -9.771 -13.987  -0.857
  557   HD11  LEU  69          HD11      LEU  69 -10.885 -15.766   0.398
  558   HD12  LEU  69          HD12      LEU  69 -11.114 -14.660   1.753
  559   HD13  LEU  69          HD13      LEU  69  -9.486 -15.118   1.249
  560   HD21  LEU  69          HD21      LEU  69 -12.501 -13.194   0.130
  561   HD22  LEU  69          HD22      LEU  69 -12.160 -14.353  -1.155
  562   HD23  LEU  69          HD23      LEU  69 -11.742 -12.652  -1.366
  563    H    ALA  70           HN       ALA  70  -7.097 -14.521   0.667
  564    HA   ALA  70           HA       ALA  70  -5.998 -13.472  -1.833
  565    HB1  ALA  70           HB1      ALA  70  -4.335 -14.372  -0.278
  566    HB2  ALA  70           HB2      ALA  70  -4.449 -15.427  -1.687
  567    HB3  ALA  70           HB3      ALA  70  -5.228 -15.886  -0.169
  568    H    LEU  71           HN       LEU  71  -7.417 -13.815  -3.379
  569    HA   LEU  71           HA       LEU  71  -9.301 -15.891  -3.186
  570    HB2  LEU  71           HB2      LEU  71  -8.861 -13.923  -5.411
  571    HB3  LEU  71           HB1      LEU  71 -10.160 -15.094  -5.389
  572    HG   LEU  71           HG       LEU  71 -10.841 -13.984  -3.159
  573   HD11  LEU  71          HD11      LEU  71  -9.131 -11.784  -4.274
  574   HD12  LEU  71          HD12      LEU  71  -8.869 -12.659  -2.763
  575   HD13  LEU  71          HD13      LEU  71 -10.284 -11.624  -2.951
  576   HD21  LEU  71          HD21      LEU  71 -12.131 -12.284  -4.325
  577   HD22  LEU  71          HD22      LEU  71 -12.125 -13.839  -5.163
  578   HD23  LEU  71          HD23      LEU  71 -11.119 -12.516  -5.755
  579    H    SER  72           HN       SER  72  -7.366 -15.474  -6.255
  580    HA   SER  72           HA       SER  72  -7.693 -18.370  -6.316
  581    HB2  SER  72           HB2      SER  72  -8.662 -17.113  -8.184
  582    HB3  SER  72           HB1      SER  72  -7.056 -16.540  -8.627
  583    HG   SER  72           HG       SER  72  -7.578 -19.284  -8.377
  584    H    ASP  73           HN       ASP  73  -4.963 -16.275  -7.499
  585    HA   ASP  73           HA       ASP  73  -3.205 -18.542  -6.586
  586    HB2  ASP  73           HB2      ASP  73  -3.153 -18.520  -8.958
  587    HB3  ASP  73           HB1      ASP  73  -3.022 -16.773  -9.017
  588    H    GLN  74           HN       GLN  74  -3.783 -15.295  -6.527
  589    HA   GLN  74           HA       GLN  74  -2.488 -14.484  -4.315
  590    HB2  GLN  74           HB2      GLN  74  -0.606 -13.008  -5.310
  591    HB3  GLN  74           HB1      GLN  74  -0.253 -14.695  -5.058
  592    HG2  GLN  74           HG2      GLN  74   0.658 -13.637  -7.154
  593    HG3  GLN  74           HG1      GLN  74  -0.234 -15.131  -7.383
  594   HE21  GLN  74          HE21      GLN  74  -1.956 -15.117  -8.620
  595   HE22  GLN  74          HE22      GLN  74  -2.578 -13.762  -9.508
  596    H    THR  75           HN       THR  75  -4.736 -14.219  -6.150
  597    HA   THR  75           HA       THR  75  -4.824 -11.486  -6.911
  598    HB   THR  75           HB       THR  75  -7.189 -13.266  -6.575
  599    HG1  THR  75           HG1      THR  75  -6.094 -13.876  -8.911
  600   HG21  THR  75          HG21      THR  75  -7.758 -12.307  -8.764
  601   HG22  THR  75          HG22      THR  75  -6.171 -11.548  -8.850
  602   HG23  THR  75          HG23      THR  75  -7.330 -11.029  -7.627
  603    H    TRP  76           HN       TRP  76  -5.060 -10.046  -5.189
  604    HA   TRP  76           HA       TRP  76  -6.170 -11.186  -2.785
  605    HB2  TRP  76           HB2      TRP  76  -4.582  -8.653  -3.230
  606    HB3  TRP  76           HB1      TRP  76  -5.284  -9.120  -1.685
  607    HD1  TRP  76           HD1      TRP  76  -2.404  -9.946  -4.035
  608    HE1  TRP  76           HE1      TRP  76  -0.752 -11.506  -2.842
  609    HE3  TRP  76           HE3      TRP  76  -5.128 -10.951   0.182
  610    HZ2  TRP  76           HZ2      TRP  76  -0.603 -12.958  -0.423
  611    HZ3  TRP  76           HZ3      TRP  76  -4.148 -12.420   1.890
  612    HH2  TRP  76           HH2      TRP  76  -1.935 -13.403   1.594
  613    H    GLY  77           HN       GLY  77  -7.434  -9.652  -1.489
  614    HA2  GLY  77           HA2      GLY  77  -8.909  -7.605  -2.565
  615    HA3  GLY  77           HA1      GLY  77  -9.793  -9.113  -2.837
  616    H    LEU  78           HN       LEU  78 -11.360  -8.538  -1.397
  617    HA   LEU  78           HA       LEU  78 -10.512  -8.484   1.419
  618    HB2  LEU  78           HB2      LEU  78 -12.819  -6.955   0.206
  619    HB3  LEU  78           HB1      LEU  78 -12.335  -6.934   1.887
  620    HG   LEU  78           HG       LEU  78 -10.761  -5.809  -0.429
  621   HD11  LEU  78          HD11      LEU  78 -12.708  -4.480   0.098
  622   HD12  LEU  78          HD12      LEU  78 -11.234  -3.642   0.587
  623   HD13  LEU  78          HD13      LEU  78 -12.242  -4.432   1.799
  624   HD21  LEU  78          HD21      LEU  78  -9.262  -4.892   1.294
  625   HD22  LEU  78          HD22      LEU  78  -9.256  -6.655   1.286
  626   HD23  LEU  78          HD23      LEU  78 -10.145  -5.785   2.532
  627    H    ARG  79           HN       ARG  79 -11.535  -9.985   2.640
  628    HA   ARG  79           HA       ARG  79 -13.386 -11.689   1.263
  629    HB2  ARG  79           HB2      ARG  79 -13.427 -13.052   3.265
  630    HB3  ARG  79           HB1      ARG  79 -11.793 -12.745   2.759
  631    HG2  ARG  79           HG2      ARG  79 -11.763 -10.920   4.509
  632    HG3  ARG  79           HG1      ARG  79 -13.271 -11.641   5.101
  633    HD2  ARG  79           HD2      ARG  79 -12.128 -13.829   5.130
  634    HD3  ARG  79           HD1      ARG  79 -10.636 -13.000   4.732
  635    HE   ARG  79           HE       ARG  79 -12.176 -12.530   7.169
  636   HH11  ARG  79          HH11      ARG  79  -9.064 -12.439   5.462
  637   HH12  ARG  79          HH12      ARG  79  -8.134 -12.617   6.858
  638   HH21  ARG  79          HH21      ARG  79 -10.923 -12.797   9.037
  639   HH22  ARG  79          HH22      ARG  79  -9.188 -12.820   8.989
  640    H    SER  80           HN       SER  80 -13.722  -8.869   2.791
  641    HA   SER  80           HA       SER  80 -16.126  -9.111   4.211
  642    HB2  SER  80           HB2      SER  80 -14.987  -6.668   2.898
  643    HB3  SER  80           HB1      SER  80 -15.878  -6.787   4.421
  644    HG   SER  80           HG       SER  80 -14.080  -8.068   5.214
  645    H    TRP  81           HN       TRP  81 -15.714  -9.665   1.011
  646    HA   TRP  81           HA       TRP  81 -18.120  -8.258   0.107
  647    HB2  TRP  81           HB2      TRP  81 -16.180  -9.970  -1.451
  648    HB3  TRP  81           HB1      TRP  81 -17.589  -9.177  -2.123
  649    HD1  TRP  81           HD1      TRP  81 -17.175  -6.252  -0.978
  650    HE1  TRP  81           HE1      TRP  81 -15.254  -4.812  -1.871
  651    HE3  TRP  81           HE3      TRP  81 -14.177 -10.001  -2.738
  652    HZ2  TRP  81           HZ2      TRP  81 -12.768  -5.225  -3.198
  653    HZ3  TRP  81           HZ3      TRP  81 -12.050  -9.391  -3.834
  654    HH2  TRP  81           HH2      TRP  81 -11.362  -7.056  -4.050
  655    H    TYR  82           HN       TYR  82 -17.112 -11.346   1.258
  656    HA   TYR  82           HA       TYR  82 -19.519 -12.587   0.103
  657    HB2  TYR  82           HB2      TYR  82 -16.795 -13.892   0.207
  658    HB3  TYR  82           HB1      TYR  82 -18.257 -14.596  -0.442
  659    HD1  TYR  82           HD2      TYR  82 -19.231 -13.606  -2.554
  660    HD2  TYR  82           HD1      TYR  82 -15.355 -12.583  -1.141
  661    HE1  TYR  82           HE2      TYR  82 -18.625 -12.787  -4.790
  662    HE2  TYR  82           HE1      TYR  82 -14.746 -11.782  -3.369
  663    HH   TYR  82           HH       TYR  82 -15.476 -12.194  -5.701
  Start of MODEL    2
    1    H1   GLY   2           HT1      GLY   2 -12.892   5.621  -3.254
    2    H2   GLY   2           HT2      GLY   2 -11.604   4.613  -2.790
    3    H3   GLY   2           HT3      GLY   2 -12.023   4.802  -4.447
    4    HA2  GLY   2           HA1      GLY   2 -11.330   7.105  -4.382
    5    HA3  GLY   2           HA2      GLY   2 -11.060   6.902  -2.664
    6    H    ILE   3           HN       ILE   3  -9.094   7.109  -2.383
    7    HA   ILE   3           HA       ILE   3  -6.889   6.941  -2.354
    8    HB   ILE   3           HB       ILE   3  -7.609   4.320  -2.440
    9   HG12  ILE   3          HG12      ILE   3  -5.213   3.722  -2.066
   10   HG13  ILE   3          HG11      ILE   3  -4.771   5.355  -2.540
   11   HG21  ILE   3          HG21      ILE   3  -7.480   4.076  -4.858
   12   HG22  ILE   3          HG22      ILE   3  -6.262   3.073  -4.066
   13   HG23  ILE   3          HG23      ILE   3  -5.792   4.590  -4.834
   14   HD11  ILE   3          HD11      ILE   3  -6.058   6.241  -0.640
   15   HD12  ILE   3          HD12      ILE   3  -4.815   5.109  -0.125
   16   HD13  ILE   3          HD13      ILE   3  -6.496   4.597  -0.188
   17    H    LYS   4           HN       LYS   4  -8.265   6.418  -5.419
   18    HA   LYS   4           HA       LYS   4  -6.206   6.792  -7.258
   19    HB2  LYS   4           HB2      LYS   4  -8.066   7.127  -8.829
   20    HB3  LYS   4           HB1      LYS   4  -8.279   5.729  -7.779
   21    HG2  LYS   4           HG2      LYS   4  -9.732   7.149  -6.317
   22    HG3  LYS   4           HG1      LYS   4  -9.627   8.410  -7.540
   23    HD2  LYS   4           HD2      LYS   4 -10.683   6.951  -9.166
   24    HD3  LYS   4           HD1      LYS   4 -10.706   5.631  -7.992
   25    HE2  LYS   4           HE2      LYS   4 -12.101   7.035  -6.502
   26    HE3  LYS   4           HE1      LYS   4 -12.164   8.262  -7.764
   27    HZ1  LYS   4           HZ1      LYS   4 -13.154   5.480  -8.000
   28    HZ2  LYS   4           HZ2      LYS   4 -13.302   6.695  -9.186
   29    HZ3  LYS   4           HZ3      LYS   4 -14.102   6.841  -7.702
   30    H    GLN   5           HN       GLN   5  -6.643   9.121  -5.212
   31    HA   GLN   5           HA       GLN   5  -6.169  11.207  -7.208
   32    HB2  GLN   5           HB2      GLN   5  -7.648  12.815  -6.010
   33    HB3  GLN   5           HB1      GLN   5  -8.500  11.516  -6.831
   34    HG2  GLN   5           HG2      GLN   5  -9.031  10.447  -4.849
   35    HG3  GLN   5           HG1      GLN   5  -7.857  11.326  -3.896
   36   HE21  GLN   5          HE21      GLN   5 -10.949  11.393  -5.380
   37   HE22  GLN   5          HE22      GLN   5 -11.530  12.809  -4.594
   38    H    TYR   6           HN       TYR   6  -5.207   9.728  -4.445
   39    HA   TYR   6           HA       TYR   6  -4.415  12.139  -3.057
   40    HB2  TYR   6           HB2      TYR   6  -3.874   9.265  -2.355
   41    HB3  TYR   6           HB1      TYR   6  -3.521  10.659  -1.339
   42    HD1  TYR   6           HD1      TYR   6  -5.930  12.299  -1.566
   43    HD2  TYR   6           HD2      TYR   6  -5.537   8.084  -1.327
   44    HE1  TYR   6           HE1      TYR   6  -8.180  12.154  -0.612
   45    HE2  TYR   6           HE2      TYR   6  -7.806   7.926  -0.375
   46    HH   TYR   6           HH       TYR   6  -9.322   9.330   0.827
   47    H    SER   7           HN       SER   7  -2.250  12.546  -2.348
   48    HA   SER   7           HA       SER   7  -0.284  11.933  -4.416
   49    HB2  SER   7           HB2      SER   7   0.868  13.902  -3.346
   50    HB3  SER   7           HB1      SER   7  -0.671  14.281  -4.108
   51    HG   SER   7           HG       SER   7  -0.125  15.038  -1.854
   52    H    GLN   8           HN       GLN   8   2.021  12.221  -3.290
   53    HA   GLN   8           HA       GLN   8   2.543   9.678  -2.354
   54    HB2  GLN   8           HB2      GLN   8   4.179  11.262  -3.381
   55    HB3  GLN   8           HB1      GLN   8   4.277  12.063  -1.812
   56    HG2  GLN   8           HG2      GLN   8   4.781   9.784  -0.863
   57    HG3  GLN   8           HG1      GLN   8   4.969   9.265  -2.503
   58   HE21  GLN   8          HE21      GLN   8   6.652  10.147  -3.796
   59   HE22  GLN   8          HE22      GLN   8   8.052  10.843  -3.079
   60    H    GLU   9           HN       GLU   9   2.487  12.713  -0.546
   61    HA   GLU   9           HA       GLU   9   3.395  11.837   1.910
   62    HB2  GLU   9           HB2      GLU   9   2.326  13.822   2.874
   63    HB3  GLU   9           HB1      GLU   9   3.113  14.216   1.356
   64    HG2  GLU   9           HG2      GLU   9   0.951  14.208   0.216
   65    HG3  GLU   9           HG1      GLU   9   0.160  13.732   1.709
   66    H    GLU  10           HN       GLU  10   0.221  11.804   0.633
   67    HA   GLU  10           HA       GLU  10  -1.281  11.317   2.930
   68    HB2  GLU  10           HB2      GLU  10  -2.001  12.109   0.685
   69    HB3  GLU  10           HB1      GLU  10  -1.827  10.469   0.081
   70    HG2  GLU  10           HG2      GLU  10  -4.152  10.858   0.603
   71    HG3  GLU  10           HG1      GLU  10  -3.507   9.796   1.856
   72    H    LEU  11           HN       LEU  11  -0.125   9.123   0.438
   73    HA   LEU  11           HA       LEU  11  -1.171   6.780   1.691
   74    HB2  LEU  11           HB2      LEU  11   0.926   7.053  -0.413
   75    HB3  LEU  11           HB1      LEU  11   0.000   5.613  -0.046
   76    HG   LEU  11           HG       LEU  11  -1.040   8.166  -1.245
   77   HD11  LEU  11          HD11      LEU  11  -0.635   5.415  -2.364
   78   HD12  LEU  11          HD12      LEU  11   0.334   6.854  -2.681
   79   HD13  LEU  11          HD13      LEU  11  -1.353   6.796  -3.208
   80   HD21  LEU  11          HD21      LEU  11  -3.144   6.936  -1.525
   81   HD22  LEU  11          HD22      LEU  11  -2.735   7.145   0.177
   82   HD23  LEU  11          HD23      LEU  11  -2.471   5.588  -0.609
   83    H    LYS  12           HN       LYS  12   1.853   8.435   1.534
   84    HA   LYS  12           HA       LYS  12   3.588   6.363   2.203
   85    HB2  LYS  12           HB2      LYS  12   3.901   8.768   1.212
   86    HB3  LYS  12           HB1      LYS  12   4.196   9.176   2.894
   87    HG2  LYS  12           HG2      LYS  12   5.984   7.519   2.974
   88    HG3  LYS  12           HG1      LYS  12   5.630   7.128   1.283
   89    HD2  LYS  12           HD2      LYS  12   6.132   9.438   0.655
   90    HD3  LYS  12           HD1      LYS  12   6.534   9.791   2.335
   91    HE2  LYS  12           HE2      LYS  12   8.355   8.224   2.271
   92    HE3  LYS  12           HE1      LYS  12   7.912   7.723   0.638
   93    HZ1  LYS  12           HZ1      LYS  12   8.864  10.408   1.454
   94    HZ2  LYS  12           HZ2      LYS  12   8.339  10.008  -0.087
   95    HZ3  LYS  12           HZ3      LYS  12   9.709   9.275   0.536
   96    H    GLU  13           HN       GLU  13   1.839   8.662   4.206
   97    HA   GLU  13           HA       GLU  13   3.203   7.540   6.483
   98    HB2  GLU  13           HB2      GLU  13   2.129   9.482   7.736
   99    HB3  GLU  13           HB1      GLU  13   3.438   9.849   6.611
  100    HG2  GLU  13           HG2      GLU  13   1.511  10.360   4.995
  101    HG3  GLU  13           HG1      GLU  13   0.508  10.379   6.450
  102    H    MET  14           HN       MET  14   0.634   6.633   4.913
  103    HA   MET  14           HA       MET  14  -0.817   5.928   7.362
  104    HB2  MET  14           HB2      MET  14  -1.769   5.830   4.488
  105    HB3  MET  14           HB1      MET  14  -2.686   5.198   5.844
  106    HG2  MET  14           HG2      MET  14  -2.698   7.502   6.811
  107    HG3  MET  14           HG1      MET  14  -1.951   8.070   5.321
  108    HE1  MET  14           HE1      MET  14  -3.141   7.857   2.910
  109    HE2  MET  14           HE2      MET  14  -4.777   7.245   2.676
  110    HE3  MET  14           HE3      MET  14  -3.487   6.144   3.158
  111    H    ALA  15           HN       ALA  15  -1.908   3.644   7.086
  112    HA   ALA  15           HA       ALA  15   0.268   1.831   7.030
  113    HB1  ALA  15           HB1      ALA  15  -1.545   1.649   8.631
  114    HB2  ALA  15           HB2      ALA  15  -1.446   0.178   7.664
  115    HB3  ALA  15           HB3      ALA  15  -2.685   1.382   7.326
  116    H    LEU  16           HN       LEU  16   0.801   0.400   5.562
  117    HA   LEU  16           HA       LEU  16  -0.011   0.979   2.933
  118    HB2  LEU  16           HB2      LEU  16   1.625  -0.745   2.153
  119    HB3  LEU  16           HB1      LEU  16   2.289   0.563   3.096
  120    HG   LEU  16           HG       LEU  16   1.794  -2.209   4.249
  121   HD11  LEU  16          HD11      LEU  16   3.361  -2.305   2.341
  122   HD12  LEU  16          HD12      LEU  16   4.160  -2.615   3.879
  123   HD13  LEU  16          HD13      LEU  16   4.327  -1.042   3.102
  124   HD21  LEU  16          HD21      LEU  16   3.534  -1.486   5.858
  125   HD22  LEU  16          HD22      LEU  16   2.095  -0.505   5.982
  126   HD23  LEU  16          HD23      LEU  16   3.517   0.120   5.141
  127    H    VAL  17           HN       VAL  17  -0.759  -1.756   5.013
  128    HA   VAL  17           HA       VAL  17  -2.068  -3.185   2.941
  129    HB   VAL  17           HB       VAL  17  -1.369  -4.210   5.150
  130   HG11  VAL  17          HG11      VAL  17  -2.171  -2.526   6.695
  131   HG12  VAL  17          HG12      VAL  17  -2.877  -4.096   7.071
  132   HG13  VAL  17          HG13      VAL  17  -3.836  -2.877   6.236
  133   HG21  VAL  17          HG21      VAL  17  -2.819  -5.444   3.655
  134   HG22  VAL  17          HG22      VAL  17  -4.238  -4.643   4.331
  135   HG23  VAL  17          HG23      VAL  17  -3.289  -5.745   5.328
  136    H    GLU  18           HN       GLU  18  -2.968  -0.518   4.932
  137    HA   GLU  18           HA       GLU  18  -5.750  -0.790   4.379
  138    HB2  GLU  18           HB2      GLU  18  -4.294   1.583   5.546
  139    HB3  GLU  18           HB1      GLU  18  -6.039   1.334   5.547
  140    HG2  GLU  18           HG2      GLU  18  -5.625  -0.799   6.790
  141    HG3  GLU  18           HG1      GLU  18  -3.960  -0.283   6.981
  142    H    ILE  19           HN       ILE  19  -3.083   1.037   3.058
  143    HA   ILE  19           HA       ILE  19  -4.442   2.638   1.190
  144    HB   ILE  19           HB       ILE  19  -1.841   1.132   0.716
  145   HG12  ILE  19          HG12      ILE  19  -2.209   3.960   1.730
  146   HG13  ILE  19          HG11      ILE  19  -1.779   2.583   2.740
  147   HG21  ILE  19          HG21      ILE  19  -1.350   2.919  -0.925
  148   HG22  ILE  19          HG22      ILE  19  -2.976   3.561  -0.669
  149   HG23  ILE  19          HG23      ILE  19  -2.763   1.955  -1.358
  150   HD11  ILE  19          HD11      ILE  19  -0.150   3.668   0.455
  151   HD12  ILE  19          HD12      ILE  19   0.299   2.309   1.471
  152   HD13  ILE  19          HD13      ILE  19   0.174   3.926   2.167
  153    H    ALA  20           HN       ALA  20  -3.266  -0.670   0.963
  154    HA   ALA  20           HA       ALA  20  -4.253  -1.270  -1.588
  155    HB1  ALA  20           HB1      ALA  20  -3.906  -3.609  -0.973
  156    HB2  ALA  20           HB2      ALA  20  -3.736  -3.142   0.719
  157    HB3  ALA  20           HB3      ALA  20  -2.542  -2.613  -0.465
  158    H    HIS  21           HN       HIS  21  -5.648  -1.772   1.650
  159    HA   HIS  21           HA       HIS  21  -8.004  -3.021   0.967
  160    HB2  HIS  21           HB2      HIS  21  -7.368  -2.688   3.294
  161    HB3  HIS  21           HB1      HIS  21  -7.510  -0.938   3.067
  162    HD1  HIS  21           HD1      HIS  21  -9.847   0.097   3.320
  163    HD2  HIS  21           HD2      HIS  21  -9.872  -4.059   3.537
  164    HE1  HIS  21           HE1      HIS  21 -12.145  -0.527   4.054
  165    HE2  HIS  21           HE2      HIS  21 -12.064  -3.010   4.397
  166    H    GLU  22           HN       GLU  22  -7.409   0.514   1.071
  167    HA   GLU  22           HA       GLU  22 -10.013   1.266   0.297
  168    HB2  GLU  22           HB2      GLU  22  -7.472   2.745  -0.321
  169    HB3  GLU  22           HB1      GLU  22  -9.074   3.453  -0.219
  170    HG2  GLU  22           HG2      GLU  22  -7.304   2.470   2.010
  171    HG3  GLU  22           HG1      GLU  22  -7.957   4.083   1.768
  172    H    LEU  23           HN       LEU  23  -7.108   0.600  -1.513
  173    HA   LEU  23           HA       LEU  23  -7.905   1.320  -4.086
  174    HB2  LEU  23           HB2      LEU  23  -5.628   0.830  -3.396
  175    HB3  LEU  23           HB1      LEU  23  -6.052  -0.840  -3.131
  176    HG   LEU  23           HG       LEU  23  -6.306  -1.184  -5.548
  177   HD11  LEU  23          HD11      LEU  23  -5.707   0.594  -7.098
  178   HD12  LEU  23          HD12      LEU  23  -5.495   1.722  -5.761
  179   HD13  LEU  23          HD13      LEU  23  -7.098   1.083  -6.133
  180   HD21  LEU  23          HD21      LEU  23  -4.181  -1.475  -4.460
  181   HD22  LEU  23          HD22      LEU  23  -3.814   0.229  -4.707
  182   HD23  LEU  23          HD23      LEU  23  -3.960  -0.855  -6.104
  183    H    PHE  24           HN       PHE  24  -8.180  -1.789  -2.425
  184    HA   PHE  24           HA       PHE  24  -9.504  -3.056  -4.603
  185    HB2  PHE  24           HB2      PHE  24  -9.108  -3.846  -1.737
  186    HB3  PHE  24           HB1      PHE  24 -10.108  -4.797  -2.832
  187    HD1  PHE  24           HD2      PHE  24  -6.714  -3.397  -2.436
  188    HD2  PHE  24           HD1      PHE  24  -9.162  -6.339  -4.228
  189    HE1  PHE  24           HE2      PHE  24  -4.713  -4.524  -3.302
  190    HE2  PHE  24           HE1      PHE  24  -7.178  -7.479  -5.085
  191    HZ   PHE  24           HZ       PHE  24  -4.966  -6.588  -4.642
  192    H    GLU  25           HN       GLU  25 -10.585  -1.422  -1.704
  193    HA   GLU  25           HA       GLU  25 -13.307  -2.116  -1.910
  194    HB2  GLU  25           HB2      GLU  25 -12.003  -1.078   0.067
  195    HB3  GLU  25           HB1      GLU  25 -12.235   0.459  -0.746
  196    HG2  GLU  25           HG2      GLU  25 -13.902   0.181   0.959
  197    HG3  GLU  25           HG1      GLU  25 -14.664   0.117  -0.632
  198    H    GLU  26           HN       GLU  26 -11.327   0.379  -3.320
  199    HA   GLU  26           HA       GLU  26 -13.257   1.967  -4.593
  200    HB2  GLU  26           HB2      GLU  26 -11.060   2.807  -4.459
  201    HB3  GLU  26           HB1      GLU  26 -10.362   1.346  -5.126
  202    HG2  GLU  26           HG2      GLU  26 -10.203   3.219  -6.686
  203    HG3  GLU  26           HG1      GLU  26 -11.207   1.931  -7.336
  204    H    HIS  27           HN       HIS  27 -11.425  -0.801  -5.799
  205    HA   HIS  27           HA       HIS  27 -12.771  -0.636  -8.330
  206    HB2  HIS  27           HB2      HIS  27 -10.756  -2.645  -7.329
  207    HB3  HIS  27           HB1      HIS  27 -11.515  -2.757  -8.910
  208    HD1  HIS  27           HD1      HIS  27 -10.859  -0.881 -10.659
  209    HD2  HIS  27           HD2      HIS  27  -8.668  -0.818  -7.133
  210    HE1  HIS  27           HE1      HIS  27  -8.877   0.576 -11.121
  211    HE2  HIS  27           HE2      HIS  27  -7.412   0.197  -9.152
  212    H    LYS  28           HN       LYS  28 -13.146  -2.657  -5.476
  213    HA   LYS  28           HA       LYS  28 -14.668  -4.241  -4.856
  214    HB2  LYS  28           HB2      LYS  28 -16.254  -3.128  -7.169
  215    HB3  LYS  28           HB1      LYS  28 -16.906  -4.241  -5.978
  216    HG2  LYS  28           HG2      LYS  28 -15.895  -1.465  -5.411
  217    HG3  LYS  28           HG1      LYS  28 -17.585  -1.889  -5.672
  218    HD2  LYS  28           HD2      LYS  28 -17.457  -3.408  -3.719
  219    HD3  LYS  28           HD1      LYS  28 -15.799  -2.855  -3.440
  220    HE2  LYS  28           HE2      LYS  28 -16.586  -0.576  -3.217
  221    HE3  LYS  28           HE1      LYS  28 -18.238  -1.099  -3.513
  222    HZ1  LYS  28           HZ1      LYS  28 -16.544  -1.905  -1.218
  223    HZ2  LYS  28           HZ2      LYS  28 -18.125  -2.412  -1.478
  224    HZ3  LYS  28           HZ3      LYS  28 -17.800  -0.775  -1.183
  225    H    LYS  29           HN       LYS  29 -12.639  -4.696  -6.864
  226    HA   LYS  29           HA       LYS  29 -13.618  -7.151  -8.041
  227    HB2  LYS  29           HB2      LYS  29 -12.026  -5.004  -9.466
  228    HB3  LYS  29           HB1      LYS  29 -12.286  -6.626 -10.084
  229    HG2  LYS  29           HG2      LYS  29 -14.664  -6.226 -10.240
  230    HG3  LYS  29           HG1      LYS  29 -14.465  -4.634  -9.507
  231    HD2  LYS  29           HD2      LYS  29 -14.693  -4.439 -11.901
  232    HD3  LYS  29           HD1      LYS  29 -13.077  -3.945 -11.397
  233    HE2  LYS  29           HE2      LYS  29 -12.191  -6.121 -12.087
  234    HE3  LYS  29           HE1      LYS  29 -13.808  -6.639 -12.562
  235    HZ1  LYS  29           HZ1      LYS  29 -13.813  -4.849 -14.215
  236    HZ2  LYS  29           HZ2      LYS  29 -12.524  -5.908 -14.459
  237    HZ3  LYS  29           HZ3      LYS  29 -12.249  -4.419 -13.760
  238    HA   PRO  30           HA       PRO  30  -9.738  -8.400  -6.339
  239    HB2  PRO  30           HB2      PRO  30  -9.361 -10.569  -8.188
  240    HB3  PRO  30           HB1      PRO  30 -10.005 -10.629  -6.560
  241    HG2  PRO  30           HG2      PRO  30 -11.475 -11.118  -8.855
  242    HG3  PRO  30           HG1      PRO  30 -12.156 -10.695  -7.277
  243    HD2  PRO  30           HD2      PRO  30 -11.680  -8.992  -9.666
  244    HD3  PRO  30           HD1      PRO  30 -13.008  -8.940  -8.491
  245    H    VAL  31           HN       VAL  31  -7.676  -7.839  -6.642
  246    HA   VAL  31           HA       VAL  31  -6.861  -7.128  -9.372
  247    HB   VAL  31           HB       VAL  31  -6.042  -5.677  -6.829
  248   HG11  VAL  31          HG11      VAL  31  -4.395  -5.504  -8.587
  249   HG12  VAL  31          HG12      VAL  31  -5.186  -3.950  -8.331
  250   HG13  VAL  31          HG13      VAL  31  -5.626  -4.947  -9.716
  251   HG21  VAL  31          HG21      VAL  31  -8.064  -4.817  -8.897
  252   HG22  VAL  31          HG22      VAL  31  -7.488  -3.824  -7.557
  253   HG23  VAL  31          HG23      VAL  31  -8.413  -5.292  -7.236
  254    HA   PRO  32           HA       PRO  32  -3.460  -9.967  -8.470
  255    HB2  PRO  32           HB2      PRO  32  -2.104  -8.455 -10.636
  256    HB3  PRO  32           HB1      PRO  32  -2.401 -10.191 -10.505
  257    HG2  PRO  32           HG2      PRO  32  -3.788  -8.694 -12.219
  258    HG3  PRO  32           HG1      PRO  32  -4.557 -10.021 -11.330
  259    HD2  PRO  32           HD2      PRO  32  -4.700  -7.074 -10.833
  260    HD3  PRO  32           HD1      PRO  32  -5.970  -8.314 -10.724
  261    H    PHE  33           HN       PHE  33  -1.363  -9.809  -7.646
  262    HA   PHE  33           HA       PHE  33  -0.950  -7.824  -5.781
  263    HB2  PHE  33           HB2      PHE  33   0.034 -10.104  -5.713
  264    HB3  PHE  33           HB1      PHE  33   1.173  -9.613  -6.973
  265    HD1  PHE  33           HD2      PHE  33   0.184  -9.201  -3.468
  266    HD2  PHE  33           HD1      PHE  33   3.072  -8.242  -6.442
  267    HE1  PHE  33           HE2      PHE  33   1.704  -8.386  -1.723
  268    HE2  PHE  33           HE1      PHE  33   4.598  -7.427  -4.705
  269    HZ   PHE  33           HZ       PHE  33   3.914  -7.496  -2.336
  270    H    GLN  34           HN       GLN  34   0.685  -8.193  -8.905
  271    HA   GLN  34           HA       GLN  34   2.257  -5.888  -8.498
  272    HB2  GLN  34           HB2      GLN  34   1.712  -7.528 -10.940
  273    HB3  GLN  34           HB1      GLN  34   2.614  -6.019 -11.031
  274    HG2  GLN  34           HG2      GLN  34   3.343  -8.297  -9.229
  275    HG3  GLN  34           HG1      GLN  34   4.024  -8.055 -10.836
  276   HE21  GLN  34          HE21      GLN  34   3.830  -6.813  -7.620
  277   HE22  GLN  34          HE22      GLN  34   5.268  -5.852  -7.668
  278    H    GLU  35           HN       GLU  35  -0.888  -6.348  -9.971
  279    HA   GLU  35           HA       GLU  35  -0.860  -3.818 -11.229
  280    HB2  GLU  35           HB2      GLU  35  -3.196  -5.566 -10.472
  281    HB3  GLU  35           HB1      GLU  35  -3.304  -4.111 -11.451
  282    HG2  GLU  35           HG2      GLU  35  -1.847  -6.649 -12.147
  283    HG3  GLU  35           HG1      GLU  35  -3.335  -6.044 -12.870
  284    H    LEU  36           HN       LEU  36  -1.937  -4.990  -8.103
  285    HA   LEU  36           HA       LEU  36  -3.173  -2.559  -7.373
  286    HB2  LEU  36           HB2      LEU  36  -3.602  -3.529  -5.279
  287    HB3  LEU  36           HB1      LEU  36  -3.525  -4.908  -6.338
  288    HG   LEU  36           HG       LEU  36  -0.996  -4.923  -5.457
  289   HD11  LEU  36          HD11      LEU  36  -0.960  -4.373  -3.057
  290   HD12  LEU  36          HD12      LEU  36  -2.570  -3.670  -3.216
  291   HD13  LEU  36          HD13      LEU  36  -1.211  -2.962  -4.086
  292   HD21  LEU  36          HD21      LEU  36  -2.673  -6.763  -5.304
  293   HD22  LEU  36          HD22      LEU  36  -3.258  -6.031  -3.797
  294   HD23  LEU  36          HD23      LEU  36  -1.613  -6.634  -3.905
  295    H    LEU  37           HN       LEU  37   0.091  -3.882  -6.809
  296    HA   LEU  37           HA       LEU  37   1.016  -1.707  -5.283
  297    HB2  LEU  37           HB2      LEU  37   2.375  -3.862  -6.825
  298    HB3  LEU  37           HB1      LEU  37   3.320  -2.462  -6.390
  299    HG   LEU  37           HG       LEU  37   3.714  -4.201  -4.811
  300   HD11  LEU  37          HD11      LEU  37   3.155  -3.100  -2.720
  301   HD12  LEU  37          HD12      LEU  37   1.988  -2.081  -3.557
  302   HD13  LEU  37          HD13      LEU  37   3.706  -1.960  -3.948
  303   HD21  LEU  37          HD21      LEU  37   0.762  -4.210  -4.295
  304   HD22  LEU  37          HD22      LEU  37   1.967  -5.110  -3.373
  305   HD23  LEU  37          HD23      LEU  37   1.687  -5.493  -5.074
  306    H    ASN  38           HN       ASN  38   0.972  -2.301  -8.704
  307    HA   ASN  38           HA       ASN  38   2.497  -0.032  -9.323
  308    HB2  ASN  38           HB2      ASN  38   0.752  -1.817 -10.985
  309    HB3  ASN  38           HB1      ASN  38   1.569  -0.418 -11.701
  310   HD21  ASN  38          HD21      ASN  38   1.913  -3.417 -11.948
  311   HD22  ASN  38          HD22      ASN  38   3.574  -3.697 -11.652
  312    H    GLU  39           HN       GLU  39  -0.972  -0.455  -8.885
  313    HA   GLU  39           HA       GLU  39  -1.606   2.182  -9.706
  314    HB2  GLU  39           HB2      GLU  39  -3.061   0.392  -7.745
  315    HB3  GLU  39           HB1      GLU  39  -3.673   1.936  -8.303
  316    HG2  GLU  39           HG2      GLU  39  -3.532   0.943 -10.654
  317    HG3  GLU  39           HG1      GLU  39  -3.320  -0.607  -9.843
  318    H    ILE  40           HN       ILE  40  -0.796   0.772  -6.575
  319    HA   ILE  40           HA       ILE  40  -1.015   3.083  -5.025
  320    HB   ILE  40           HB       ILE  40   0.924   0.763  -4.678
  321   HG12  ILE  40          HG12      ILE  40  -1.736   1.348  -3.347
  322   HG13  ILE  40          HG11      ILE  40  -1.460   0.141  -4.596
  323   HG21  ILE  40          HG21      ILE  40   0.189   2.920  -2.687
  324   HG22  ILE  40          HG22      ILE  40   1.759   2.708  -3.462
  325   HG23  ILE  40          HG23      ILE  40   1.161   1.490  -2.336
  326   HD11  ILE  40          HD11      ILE  40   0.005  -1.091  -3.077
  327   HD12  ILE  40          HD12      ILE  40  -1.605  -0.874  -2.392
  328   HD13  ILE  40          HD13      ILE  40  -0.265   0.124  -1.830
  329    H    ALA  41           HN       ALA  41   1.737   1.838  -6.851
  330    HA   ALA  41           HA       ALA  41   3.656   3.734  -6.197
  331    HB1  ALA  41           HB1      ALA  41   3.322   2.369  -8.865
  332    HB2  ALA  41           HB2      ALA  41   4.141   1.690  -7.456
  333    HB3  ALA  41           HB3      ALA  41   4.794   3.124  -8.244
  334    H    SER  42           HN       SER  42   1.125   3.873  -8.656
  335    HA   SER  42           HA       SER  42   1.969   6.212  -9.907
  336    HB2  SER  42           HB2      SER  42  -0.885   5.277  -9.528
  337    HB3  SER  42           HB1      SER  42  -0.284   6.339 -10.801
  338    HG   SER  42           HG       SER  42   1.205   4.251 -11.002
  339    H    LEU  43           HN       LEU  43  -0.436   5.762  -7.306
  340    HA   LEU  43           HA       LEU  43  -0.828   8.555  -6.981
  341    HB2  LEU  43           HB2      LEU  43  -1.691   6.241  -5.256
  342    HB3  LEU  43           HB1      LEU  43  -2.045   7.907  -4.855
  343    HG   LEU  43           HG       LEU  43  -4.002   7.047  -5.786
  344   HD11  LEU  43          HD11      LEU  43  -4.379   8.322  -7.788
  345   HD12  LEU  43          HD12      LEU  43  -2.648   8.562  -7.975
  346   HD13  LEU  43          HD13      LEU  43  -3.487   9.237  -6.574
  347   HD21  LEU  43          HD21      LEU  43  -4.164   5.914  -7.952
  348   HD22  LEU  43          HD22      LEU  43  -3.140   5.022  -6.825
  349   HD23  LEU  43          HD23      LEU  43  -2.410   5.982  -8.111
  350    H    LEU  44           HN       LEU  44   1.305   6.279  -5.483
  351    HA   LEU  44           HA       LEU  44   2.019   7.860  -3.196
  352    HB2  LEU  44           HB2      LEU  44   2.082   5.391  -3.267
  353    HB3  LEU  44           HB1      LEU  44   3.343   5.459  -4.468
  354    HG   LEU  44           HG       LEU  44   4.853   6.464  -2.760
  355   HD11  LEU  44          HD11      LEU  44   3.179   7.467  -1.310
  356   HD12  LEU  44          HD12      LEU  44   4.228   6.370  -0.416
  357   HD13  LEU  44          HD13      LEU  44   2.600   5.859  -0.864
  358   HD21  LEU  44          HD21      LEU  44   3.606   3.825  -2.017
  359   HD22  LEU  44          HD22      LEU  44   5.206   4.387  -1.524
  360   HD23  LEU  44          HD23      LEU  44   4.861   4.075  -3.226
  361    H    GLY  45           HN       GLY  45   2.347   9.013  -5.819
  362    HA2  GLY  45           HA2      GLY  45   3.963   9.945  -7.378
  363    HA3  GLY  45           HA1      GLY  45   4.263  10.823  -5.897
  364    H    VAL  46           HN       VAL  46   5.236   7.554  -7.110
  365    HA   VAL  46           HA       VAL  46   8.039   8.320  -6.733
  366    HB   VAL  46           HB       VAL  46   8.513   6.133  -5.597
  367   HG11  VAL  46          HG11      VAL  46   8.551   8.172  -4.302
  368   HG12  VAL  46          HG12      VAL  46   7.884   6.851  -3.343
  369   HG13  VAL  46          HG13      VAL  46   6.812   8.063  -4.043
  370   HG21  VAL  46          HG21      VAL  46   5.529   6.087  -5.183
  371   HG22  VAL  46          HG22      VAL  46   6.679   5.006  -4.393
  372   HG23  VAL  46          HG23      VAL  46   6.470   4.956  -6.146
  373    H    LYS  47           HN       LYS  47   9.522   6.722  -7.581
  374    HA   LYS  47           HA       LYS  47   8.475   5.281  -9.829
  375    HB2  LYS  47           HB2      LYS  47  10.838   4.441 -10.125
  376    HB3  LYS  47           HB1      LYS  47  10.668   6.181 -10.205
  377    HG2  LYS  47           HG2      LYS  47  11.646   6.399  -7.975
  378    HG3  LYS  47           HG1      LYS  47  11.710   4.639  -7.815
  379    HD2  LYS  47           HD2      LYS  47  13.383   4.398  -9.346
  380    HD3  LYS  47           HD1      LYS  47  13.043   5.922 -10.183
  381    HE2  LYS  47           HE2      LYS  47  15.094   6.278  -9.077
  382    HE3  LYS  47           HE1      LYS  47  13.913   7.019  -8.013
  383    HZ1  LYS  47           HZ1      LYS  47  15.172   4.342  -7.637
  384    HZ2  LYS  47           HZ2      LYS  47  14.037   5.037  -6.583
  385    HZ3  LYS  47           HZ3      LYS  47  15.522   5.763  -6.798
  386    H    LYS  48           HN       LYS  48   8.673   2.989 -10.086
  387    HA   LYS  48           HA       LYS  48   7.431   1.514  -8.143
  388    HB2  LYS  48           HB2      LYS  48   7.559   0.825 -10.453
  389    HB3  LYS  48           HB1      LYS  48   9.291   0.565 -10.311
  390    HG2  LYS  48           HG2      LYS  48   8.411  -1.589 -10.151
  391    HG3  LYS  48           HG1      LYS  48   8.726  -1.023  -8.499
  392    HD2  LYS  48           HD2      LYS  48   6.427  -0.670  -8.022
  393    HD3  LYS  48           HD1      LYS  48   5.970  -0.765  -9.723
  394    HE2  LYS  48           HE2      LYS  48   6.876  -3.032  -7.935
  395    HE3  LYS  48           HE1      LYS  48   5.264  -2.744  -8.595
  396    HZ1  LYS  48           HZ1      LYS  48   6.392  -4.450  -9.872
  397    HZ2  LYS  48           HZ2      LYS  48   7.680  -3.427 -10.179
  398    HZ3  LYS  48           HZ3      LYS  48   6.181  -3.081 -10.831
  399    H    GLU  49           HN       GLU  49  10.827   1.999  -8.595
  400    HA   GLU  49           HA       GLU  49  11.931  -0.117  -7.183
  401    HB2  GLU  49           HB2      GLU  49  13.065   1.405  -8.748
  402    HB3  GLU  49           HB1      GLU  49  12.981   2.677  -7.547
  403    HG2  GLU  49           HG2      GLU  49  14.471   1.491  -6.112
  404    HG3  GLU  49           HG1      GLU  49  14.380   0.092  -7.190
  405    H    GLU  50           HN       GLU  50  10.909   3.053  -5.966
  406    HA   GLU  50           HA       GLU  50  11.922   2.904  -3.296
  407    HB2  GLU  50           HB2      GLU  50   9.331   4.267  -3.997
  408    HB3  GLU  50           HB1      GLU  50  10.574   4.788  -2.874
  409    HG2  GLU  50           HG2      GLU  50  10.787   4.762  -5.850
  410    HG3  GLU  50           HG1      GLU  50  10.426   6.198  -4.880
  411    H    LEU  51           HN       LEU  51   8.931   2.201  -4.888
  412    HA   LEU  51           HA       LEU  51   7.568   1.284  -2.614
  413    HB2  LEU  51           HB2      LEU  51   6.404   2.174  -4.576
  414    HB3  LEU  51           HB1      LEU  51   6.983   0.825  -5.531
  415    HG   LEU  51           HG       LEU  51   5.699  -0.715  -4.063
  416   HD11  LEU  51          HD11      LEU  51   5.565   0.651  -2.060
  417   HD12  LEU  51          HD12      LEU  51   3.958   0.193  -2.617
  418   HD13  LEU  51          HD13      LEU  51   4.561   1.823  -2.910
  419   HD21  LEU  51          HD21      LEU  51   3.520  -0.139  -4.983
  420   HD22  LEU  51          HD22      LEU  51   4.809   0.027  -6.173
  421   HD23  LEU  51          HD23      LEU  51   4.132   1.461  -5.390
  422    H    GLY  52           HN       GLY  52   9.765  -0.147  -4.890
  423    HA2  GLY  52           HA2      GLY  52   9.184  -2.870  -4.638
  424    HA3  GLY  52           HA1      GLY  52  10.782  -2.201  -4.954
  425    H    ASP  53           HN       ASP  53  11.380  -0.852  -2.766
  426    HA   ASP  53           HA       ASP  53  12.096  -2.704  -0.767
  427    HB2  ASP  53           HB2      ASP  53  13.201  -0.565  -0.834
  428    HB3  ASP  53           HB1      ASP  53  11.679   0.289  -0.632
  429    H    ARG  54           HN       ARG  54   9.436  -0.412  -0.872
  430    HA   ARG  54           HA       ARG  54   8.298  -1.273   1.576
  431    HB2  ARG  54           HB2      ARG  54   7.974   0.992   0.464
  432    HB3  ARG  54           HB1      ARG  54   6.819   0.204  -0.593
  433    HG2  ARG  54           HG2      ARG  54   5.366  -0.294   1.251
  434    HG3  ARG  54           HG1      ARG  54   6.569   0.271   2.414
  435    HD2  ARG  54           HD2      ARG  54   6.418   2.533   1.311
  436    HD3  ARG  54           HD1      ARG  54   5.077   1.904   0.374
  437    HE   ARG  54           HE       ARG  54   3.877   1.589   2.471
  438   HH11  ARG  54          HH11      ARG  54   6.763   3.638   2.693
  439   HH12  ARG  54          HH12      ARG  54   6.149   4.705   3.834
  440   HH21  ARG  54          HH21      ARG  54   2.954   3.131   4.160
  441   HH22  ARG  54          HH22      ARG  54   3.941   4.400   4.674
  442    H    ILE  55           HN       ILE  55   8.185  -2.657  -1.515
  443    HA   ILE  55           HA       ILE  55   5.728  -4.082  -1.282
  444    HB   ILE  55           HB       ILE  55   8.102  -4.469  -3.142
  445   HG12  ILE  55          HG12      ILE  55   5.274  -3.534  -3.627
  446   HG13  ILE  55          HG11      ILE  55   6.717  -2.532  -3.593
  447   HG21  ILE  55          HG21      ILE  55   5.545  -6.062  -3.157
  448   HG22  ILE  55          HG22      ILE  55   7.153  -6.672  -2.772
  449   HG23  ILE  55          HG23      ILE  55   6.789  -6.112  -4.408
  450   HD11  ILE  55          HD11      ILE  55   6.094  -4.673  -5.614
  451   HD12  ILE  55          HD12      ILE  55   7.555  -3.690  -5.589
  452   HD13  ILE  55          HD13      ILE  55   5.986  -2.932  -5.867
  453    H    ALA  56           HN       ALA  56   9.094  -4.752  -0.595
  454    HA   ALA  56           HA       ALA  56   8.730  -7.435   0.200
  455    HB1  ALA  56           HB1      ALA  56  10.712  -5.431   1.300
  456    HB2  ALA  56           HB2      ALA  56  10.951  -6.431  -0.137
  457    HB3  ALA  56           HB3      ALA  56  10.782  -7.191   1.449
  458    H    GLN  57           HN       GLN  57   8.620  -4.405   1.997
  459    HA   GLN  57           HA       GLN  57   7.755  -5.580   4.424
  460    HB2  GLN  57           HB2      GLN  57   7.598  -2.781   3.371
  461    HB3  GLN  57           HB1      GLN  57   6.853  -3.217   4.906
  462    HG2  GLN  57           HG2      GLN  57   9.665  -3.870   4.285
  463    HG3  GLN  57           HG1      GLN  57   9.244  -2.286   4.984
  464   HE21  GLN  57          HE21      GLN  57   9.573  -5.732   5.531
  465   HE22  GLN  57          HE22      GLN  57   9.351  -5.667   7.228
  466    H    PHE  58           HN       PHE  58   6.021  -4.582   1.594
  467    HA   PHE  58           HA       PHE  58   3.441  -4.711   2.727
  468    HB2  PHE  58           HB2      PHE  58   3.957  -3.473   0.616
  469    HB3  PHE  58           HB1      PHE  58   4.205  -5.021  -0.179
  470    HD1  PHE  58           HD2      PHE  58   1.613  -3.155   1.754
  471    HD2  PHE  58           HD1      PHE  58   2.451  -6.013  -1.280
  472    HE1  PHE  58           HE2      PHE  58  -0.771  -3.269   1.211
  473    HE2  PHE  58           HE1      PHE  58   0.064  -6.131  -1.826
  474    HZ   PHE  58           HZ       PHE  58  -1.552  -4.761  -0.582
  475    H    TYR  59           HN       TYR  59   5.432  -7.083   0.989
  476    HA   TYR  59           HA       TYR  59   3.594  -9.177   0.858
  477    HB2  TYR  59           HB2      TYR  59   6.569  -9.142   1.170
  478    HB3  TYR  59           HB1      TYR  59   5.706 -10.655   1.358
  479    HD1  TYR  59           HD1      TYR  59   4.085 -11.258  -0.612
  480    HD2  TYR  59           HD2      TYR  59   7.336  -8.541  -0.917
  481    HE1  TYR  59           HE1      TYR  59   4.190 -11.666  -3.032
  482    HE2  TYR  59           HE2      TYR  59   7.439  -8.930  -3.336
  483    HH   TYR  59           HH       TYR  59   6.832 -10.670  -4.887
  484    H    THR  60           HN       THR  60   5.858  -8.372   3.424
  485    HA   THR  60           HA       THR  60   5.068 -10.320   5.234
  486    HB   THR  60           HB       THR  60   6.157  -7.546   5.747
  487    HG1  THR  60           HG1      THR  60   8.023  -8.362   5.056
  488   HG21  THR  60          HG21      THR  60   6.261 -10.056   7.439
  489   HG22  THR  60          HG22      THR  60   5.271  -8.637   7.776
  490   HG23  THR  60          HG23      THR  60   7.029  -8.517   7.830
  491    H    ASP  61           HN       ASP  61   4.112  -6.888   5.030
  492    HA   ASP  61           HA       ASP  61   2.368  -6.887   7.214
  493    HB2  ASP  61           HB2      ASP  61   3.389  -4.892   6.155
  494    HB3  ASP  61           HB1      ASP  61   2.289  -5.086   4.801
  495    H    LEU  62           HN       LEU  62   1.705  -7.508   3.837
  496    HA   LEU  62           HA       LEU  62  -1.129  -7.493   4.018
  497    HB2  LEU  62           HB2      LEU  62   0.096  -7.084   1.945
  498    HB3  LEU  62           HB1      LEU  62   0.718  -8.717   1.981
  499    HG   LEU  62           HG       LEU  62  -1.595  -9.550   1.681
  500   HD11  LEU  62          HD11      LEU  62  -2.795  -7.658   2.620
  501   HD12  LEU  62          HD12      LEU  62  -3.310  -7.957   0.961
  502   HD13  LEU  62          HD13      LEU  62  -2.212  -6.623   1.318
  503   HD21  LEU  62          HD21      LEU  62  -0.607  -7.607  -0.394
  504   HD22  LEU  62          HD22      LEU  62  -1.753  -8.920  -0.671
  505   HD23  LEU  62          HD23      LEU  62  -0.090  -9.282  -0.211
  506    H    ASN  63           HN       ASN  63   1.299 -10.093   4.017
  507    HA   ASN  63           HA       ASN  63  -0.758 -12.101   4.074
  508    HB2  ASN  63           HB2      ASN  63   2.245 -12.352   4.236
  509    HB3  ASN  63           HB1      ASN  63   1.176 -13.737   4.405
  510   HD21  ASN  63          HD21      ASN  63   2.498 -11.401   2.235
  511   HD22  ASN  63          HD22      ASN  63   1.959 -12.133   0.764
  512    H    ILE  64           HN       ILE  64   0.571 -10.200   6.449
  513    HA   ILE  64           HA       ILE  64  -0.125 -12.189   8.477
  514    HB   ILE  64           HB       ILE  64   0.989 -10.789  10.140
  515   HG12  ILE  64          HG12      ILE  64   1.673  -8.937   7.839
  516   HG13  ILE  64          HG11      ILE  64   0.527  -8.578   9.121
  517   HG21  ILE  64          HG21      ILE  64   2.693 -11.317   7.715
  518   HG22  ILE  64          HG22      ILE  64   2.342 -12.446   9.024
  519   HG23  ILE  64          HG23      ILE  64   3.317 -11.008   9.331
  520   HD11  ILE  64          HD11      ILE  64   2.355  -8.649  10.753
  521   HD12  ILE  64          HD12      ILE  64   2.635  -7.450   9.489
  522   HD13  ILE  64          HD13      ILE  64   3.492  -8.988   9.446
  523    H    ASP  65           HN       ASP  65  -1.750 -10.130   6.739
  524    HA   ASP  65           HA       ASP  65  -3.184  -8.848   8.939
  525    HB2  ASP  65           HB2      ASP  65  -2.653  -7.370   7.051
  526    HB3  ASP  65           HB1      ASP  65  -3.455  -8.476   5.937
  527    H    GLY  66           HN       GLY  66  -5.590  -8.990   8.903
  528    HA2  GLY  66           HA2      GLY  66  -6.387 -11.643   7.920
  529    HA3  GLY  66           HA1      GLY  66  -6.924 -10.973   9.476
  530    H    ARG  67           HN       ARG  67  -6.984  -8.364   7.372
  531    HA   ARG  67           HA       ARG  67  -9.872  -8.743   7.095
  532    HB2  ARG  67           HB2      ARG  67  -8.223  -6.234   6.639
  533    HB3  ARG  67           HB1      ARG  67  -9.977  -6.334   6.644
  534    HG2  ARG  67           HG2      ARG  67  -9.909  -5.797   8.795
  535    HG3  ARG  67           HG1      ARG  67  -9.197  -7.382   9.097
  536    HD2  ARG  67           HD2      ARG  67  -7.735  -5.815  10.084
  537    HD3  ARG  67           HD1      ARG  67  -6.955  -6.329   8.591
  538    HE   ARG  67           HE       ARG  67  -8.583  -3.985   8.346
  539   HH11  ARG  67          HH11      ARG  67  -5.269  -5.172   8.646
  540   HH12  ARG  67          HH12      ARG  67  -4.572  -3.614   8.746
  541   HH21  ARG  67          HH21      ARG  67  -7.598  -1.864   8.373
  542   HH22  ARG  67          HH22      ARG  67  -5.931  -1.688   8.570
  543    H    PHE  68           HN       PHE  68  -6.927  -8.434   5.403
  544    HA   PHE  68           HA       PHE  68  -8.119  -8.292   2.834
  545    HB2  PHE  68           HB2      PHE  68  -5.513  -8.069   3.913
  546    HB3  PHE  68           HB1      PHE  68  -5.484  -9.372   2.722
  547    HD1  PHE  68           HD1      PHE  68  -6.101  -5.812   3.262
  548    HD2  PHE  68           HD2      PHE  68  -5.850  -8.947   0.416
  549    HE1  PHE  68           HE1      PHE  68  -6.070  -4.162   1.448
  550    HE2  PHE  68           HE2      PHE  68  -5.812  -7.306  -1.404
  551    HZ   PHE  68           HZ       PHE  68  -5.929  -4.924  -0.897
  552    H    LEU  69           HN       LEU  69  -7.947  -9.970   1.259
  553    HA   LEU  69           HA       LEU  69  -8.021 -12.655   2.362
  554    HB2  LEU  69           HB2      LEU  69 -10.244 -12.049   2.464
  555    HB3  LEU  69           HB1      LEU  69 -10.208 -11.125   0.993
  556    HG   LEU  69           HG       LEU  69 -10.089 -13.313  -0.257
  557   HD11  LEU  69          HD11      LEU  69  -9.161 -14.664   1.549
  558   HD12  LEU  69          HD12      LEU  69 -10.669 -15.334   0.932
  559   HD13  LEU  69          HD13      LEU  69 -10.652 -14.461   2.465
  560   HD21  LEU  69          HD21      LEU  69 -12.416 -13.743  -0.048
  561   HD22  LEU  69          HD22      LEU  69 -12.197 -12.019   0.250
  562   HD23  LEU  69          HD23      LEU  69 -12.424 -13.152   1.591
  563    H    ALA  70           HN       ALA  70  -6.903 -13.979   0.970
  564    HA   ALA  70           HA       ALA  70  -6.306 -12.987  -1.709
  565    HB1  ALA  70           HB1      ALA  70  -5.313 -15.439  -0.230
  566    HB2  ALA  70           HB2      ALA  70  -4.413 -13.939  -0.456
  567    HB3  ALA  70           HB3      ALA  70  -4.800 -14.957  -1.844
  568    H    LEU  71           HN       LEU  71  -7.300 -13.902  -3.485
  569    HA   LEU  71           HA       LEU  71  -9.526 -15.489  -2.760
  570    HB2  LEU  71           HB2      LEU  71  -8.745 -14.718  -5.570
  571    HB3  LEU  71           HB1      LEU  71 -10.285 -15.390  -5.063
  572    HG   LEU  71           HG       LEU  71  -9.146 -12.665  -4.605
  573   HD11  LEU  71          HD11      LEU  71 -10.312 -12.978  -6.637
  574   HD12  LEU  71          HD12      LEU  71 -11.269 -11.972  -5.544
  575   HD13  LEU  71          HD13      LEU  71 -11.699 -13.664  -5.786
  576   HD21  LEU  71          HD21      LEU  71 -11.541 -13.829  -3.187
  577   HD22  LEU  71          HD22      LEU  71 -11.058 -12.129  -3.209
  578   HD23  LEU  71          HD23      LEU  71 -10.015 -13.327  -2.445
  579    H    SER  72           HN       SER  72  -8.145 -16.656  -5.796
  580    HA   SER  72           HA       SER  72  -8.000 -19.133  -4.293
  581    HB2  SER  72           HB2      SER  72  -8.340 -20.312  -6.424
  582    HB3  SER  72           HB1      SER  72  -9.649 -19.202  -6.029
  583    HG   SER  72           HG       SER  72  -7.772 -19.168  -8.030
  584    H    ASP  73           HN       ASP  73  -6.210 -17.664  -7.029
  585    HA   ASP  73           HA       ASP  73  -4.014 -19.475  -6.211
  586    HB2  ASP  73           HB2      ASP  73  -4.691 -18.650  -9.019
  587    HB3  ASP  73           HB1      ASP  73  -3.385 -19.709  -8.537
  588    H    GLN  74           HN       GLN  74  -4.779 -16.171  -6.983
  589    HA   GLN  74           HA       GLN  74  -1.954 -15.484  -6.603
  590    HB2  GLN  74           HB2      GLN  74  -3.263 -14.190  -8.992
  591    HB3  GLN  74           HB1      GLN  74  -1.586 -14.226  -8.555
  592    HG2  GLN  74           HG2      GLN  74  -1.667 -15.499 -10.473
  593    HG3  GLN  74           HG1      GLN  74  -1.695 -16.720  -9.205
  594   HE21  GLN  74          HE21      GLN  74  -4.516 -14.742 -10.050
  595   HE22  GLN  74          HE22      GLN  74  -5.425 -16.044 -10.686
  596    H    THR  75           HN       THR  75  -4.982 -14.245  -7.842
  597    HA   THR  75           HA       THR  75  -4.630 -11.598  -7.317
  598    HB   THR  75           HB       THR  75  -7.248 -12.976  -7.564
  599    HG1  THR  75           HG1      THR  75  -6.336 -12.780  -9.971
  600   HG21  THR  75          HG21      THR  75  -7.147 -10.523  -7.593
  601   HG22  THR  75          HG22      THR  75  -7.603 -11.152  -9.182
  602   HG23  THR  75          HG23      THR  75  -5.961 -10.589  -8.893
  603    H    TRP  76           HN       TRP  76  -5.214 -10.304  -5.653
  604    HA   TRP  76           HA       TRP  76  -6.207 -11.574  -3.236
  605    HB2  TRP  76           HB2      TRP  76  -4.777  -8.957  -3.722
  606    HB3  TRP  76           HB1      TRP  76  -5.498  -9.385  -2.177
  607    HD1  TRP  76           HD1      TRP  76  -2.591 -10.409  -4.503
  608    HE1  TRP  76           HE1      TRP  76  -0.835 -11.665  -3.081
  609    HE3  TRP  76           HE3      TRP  76  -5.164 -10.716  -0.095
  610    HZ2  TRP  76           HZ2      TRP  76  -0.589 -12.647  -0.454
  611    HZ3  TRP  76           HZ3      TRP  76  -4.098 -11.817   1.822
  612    HH2  TRP  76           HH2      TRP  76  -1.857 -12.765   1.646
  613    H    GLY  77           HN       GLY  77  -7.704 -10.231  -1.944
  614    HA2  GLY  77           HA2      GLY  77  -9.182  -8.189  -3.253
  615    HA3  GLY  77           HA1      GLY  77 -10.065  -9.705  -3.071
  616    H    LEU  78           HN       LEU  78 -11.484  -8.736  -1.658
  617    HA   LEU  78           HA       LEU  78 -10.349  -8.136   0.984
  618    HB2  LEU  78           HB2      LEU  78 -12.778  -6.867  -0.269
  619    HB3  LEU  78           HB1      LEU  78 -12.307  -6.662   1.404
  620    HG   LEU  78           HG       LEU  78 -10.789  -5.714  -1.020
  621   HD11  LEU  78          HD11      LEU  78 -11.294  -3.491  -0.146
  622   HD12  LEU  78          HD12      LEU  78 -12.234  -4.219   1.154
  623   HD13  LEU  78          HD13      LEU  78 -12.759  -4.397  -0.521
  624   HD21  LEU  78          HD21      LEU  78  -9.283  -4.632   0.607
  625   HD22  LEU  78          HD22      LEU  78  -9.212  -6.386   0.688
  626   HD23  LEU  78          HD23      LEU  78 -10.108  -5.483   1.914
  627    H    ARG  79           HN       ARG  79 -11.315  -8.965   2.726
  628    HA   ARG  79           HA       ARG  79 -12.629 -11.421   2.264
  629    HB2  ARG  79           HB2      ARG  79 -10.963 -10.896   4.079
  630    HB3  ARG  79           HB1      ARG  79 -12.214  -9.965   4.867
  631    HG2  ARG  79           HG2      ARG  79 -13.551 -11.973   5.163
  632    HG3  ARG  79           HG1      ARG  79 -12.314 -12.923   4.329
  633    HD2  ARG  79           HD2      ARG  79 -10.675 -12.229   5.988
  634    HD3  ARG  79           HD1      ARG  79 -11.908 -11.343   6.860
  635    HE   ARG  79           HE       ARG  79 -11.936 -14.248   6.411
  636   HH11  ARG  79          HH11      ARG  79 -12.624 -11.524   8.560
  637   HH12  ARG  79          HH12      ARG  79 -12.838 -12.462   9.951
  638   HH21  ARG  79          HH21      ARG  79 -12.245 -15.605   8.428
  639   HH22  ARG  79          HH22      ARG  79 -12.654 -14.802   9.857
  640    H    SER  80           HN       SER  80 -13.648  -8.237   2.881
  641    HA   SER  80           HA       SER  80 -16.116  -8.530   4.070
  642    HB2  SER  80           HB2      SER  80 -15.377  -6.465   2.047
  643    HB3  SER  80           HB1      SER  80 -16.298  -6.289   3.548
  644    HG   SER  80           HG       SER  80 -14.367  -5.572   4.140
  645    H    TRP  81           HN       TRP  81 -15.080  -9.188   0.799
  646    HA   TRP  81           HA       TRP  81 -17.630  -8.606  -0.407
  647    HB2  TRP  81           HB2      TRP  81 -15.250 -10.014  -1.586
  648    HB3  TRP  81           HB1      TRP  81 -16.665  -9.471  -2.463
  649    HD1  TRP  81           HD1      TRP  81 -16.577  -6.528  -0.827
  650    HE1  TRP  81           HE1      TRP  81 -14.897  -4.813  -1.726
  651    HE3  TRP  81           HE3      TRP  81 -13.467  -9.729  -3.460
  652    HZ2  TRP  81           HZ2      TRP  81 -12.585  -4.806  -3.349
  653    HZ3  TRP  81           HZ3      TRP  81 -11.585  -8.743  -4.640
  654    HH2  TRP  81           HH2      TRP  81 -11.152  -6.347  -4.595
  655    H    TYR  82           HN       TYR  82 -16.126 -11.490   0.930
  656    HA   TYR  82           HA       TYR  82 -18.254 -13.097  -0.346
  657    HB2  TYR  82           HB2      TYR  82 -15.404 -14.018  -0.239
  658    HB3  TYR  82           HB1      TYR  82 -16.726 -14.706  -1.148
  659    HD1  TYR  82           HD2      TYR  82 -17.662 -13.222  -3.078
  660    HD2  TYR  82           HD1      TYR  82 -13.910 -12.656  -1.210
  661    HE1  TYR  82           HE2      TYR  82 -16.852 -12.005  -5.072
  662    HE2  TYR  82           HE1      TYR  82 -13.076 -11.491  -3.108
  663    HH   TYR  82           HH       TYR  82 -13.589 -11.310  -5.564
  Start of MODEL    3
    1    H1   GLY   2           HT1      GLY   2 -11.292   6.391  -3.840
    2    H2   GLY   2           HT2      GLY   2 -11.990   7.504  -2.728
    3    H3   GLY   2           HT3      GLY   2 -12.488   5.899  -2.793
    4    HA2  GLY   2           HA1      GLY   2 -10.947   6.461  -0.925
    5    HA3  GLY   2           HA2      GLY   2 -10.436   5.112  -1.942
    6    H    ILE   3           HN       ILE   3  -8.573   5.283  -2.955
    7    HA   ILE   3           HA       ILE   3  -6.846   7.330  -2.082
    8    HB   ILE   3           HB       ILE   3  -4.998   6.252  -3.290
    9   HG12  ILE   3          HG12      ILE   3  -6.228   5.297  -5.207
   10   HG13  ILE   3          HG11      ILE   3  -5.253   4.082  -4.398
   11   HG21  ILE   3          HG21      ILE   3  -5.024   4.125  -1.989
   12   HG22  ILE   3          HG22      ILE   3  -6.664   4.572  -1.488
   13   HG23  ILE   3          HG23      ILE   3  -5.303   5.606  -1.076
   14   HD11  ILE   3          HD11      ILE   3  -7.356   3.122  -5.027
   15   HD12  ILE   3          HD12      ILE   3  -8.219   4.460  -4.312
   16   HD13  ILE   3          HD13      ILE   3  -7.362   3.329  -3.264
   17    H    LYS   4           HN       LYS   4  -8.870   7.401  -4.637
   18    HA   LYS   4           HA       LYS   4  -7.590   8.737  -6.669
   19    HB2  LYS   4           HB2      LYS   4  -9.761  10.021  -6.953
   20    HB3  LYS   4           HB1      LYS   4  -9.912   8.270  -6.931
   21    HG2  LYS   4           HG2      LYS   4 -10.949   8.254  -4.850
   22    HG3  LYS   4           HG1      LYS   4 -10.283   9.816  -4.395
   23    HD2  LYS   4           HD2      LYS   4 -12.711   9.915  -4.808
   24    HD3  LYS   4           HD1      LYS   4 -11.805  10.946  -5.901
   25    HE2  LYS   4           HE2      LYS   4 -13.580   9.834  -7.103
   26    HE3  LYS   4           HE1      LYS   4 -12.023   9.234  -7.653
   27    HZ1  LYS   4           HZ1      LYS   4 -13.649   7.737  -5.634
   28    HZ2  LYS   4           HZ2      LYS   4 -12.414   7.133  -6.609
   29    HZ3  LYS   4           HZ3      LYS   4 -13.862   7.595  -7.274
   30    H    GLN   5           HN       GLN   5  -8.308   9.933  -3.464
   31    HA   GLN   5           HA       GLN   5  -7.716  12.700  -4.242
   32    HB2  GLN   5           HB2      GLN   5  -8.714  13.294  -2.087
   33    HB3  GLN   5           HB1      GLN   5  -9.801  12.384  -3.128
   34    HG2  GLN   5           HG2      GLN   5  -9.459  10.386  -1.865
   35    HG3  GLN   5           HG1      GLN   5  -8.194  11.151  -0.911
   36   HE21  GLN   5          HE21      GLN   5 -11.597  10.891  -1.459
   37   HE22  GLN   5          HE22      GLN   5 -12.050  11.719  -0.008
   38    H    TYR   6           HN       TYR   6  -5.866  10.191  -3.044
   39    HA   TYR   6           HA       TYR   6  -4.623  11.972  -1.081
   40    HB2  TYR   6           HB2      TYR   6  -4.051   9.024  -1.396
   41    HB3  TYR   6           HB1      TYR   6  -3.473  10.075  -0.117
   42    HD1  TYR   6           HD2      TYR   6  -5.609  11.462   0.992
   43    HD2  TYR   6           HD1      TYR   6  -5.678   7.601  -0.717
   44    HE1  TYR   6           HE2      TYR   6  -7.647  10.949   2.274
   45    HE2  TYR   6           HE1      TYR   6  -7.731   7.051   0.515
   46    HH   TYR   6           HH       TYR   6  -9.487   9.529   2.225
   47    H    SER   7           HN       SER   7  -2.570  12.477  -1.016
   48    HA   SER   7           HA       SER   7  -1.071  12.411  -3.551
   49    HB2  SER   7           HB2      SER   7   0.178  14.308  -2.433
   50    HB3  SER   7           HB1      SER   7  -1.525  14.627  -2.762
   51    HG   SER   7           HG       SER   7  -1.977  14.116  -0.582
   52    H    GLN   8           HN       GLN   8   1.460  12.793  -2.929
   53    HA   GLN   8           HA       GLN   8   2.242  10.137  -2.487
   54    HB2  GLN   8           HB2      GLN   8   3.408  11.816  -3.901
   55    HB3  GLN   8           HB1      GLN   8   4.015  12.553  -2.423
   56    HG2  GLN   8           HG2      GLN   8   4.769  10.101  -1.918
   57    HG3  GLN   8           HG1      GLN   8   4.618   9.979  -3.663
   58   HE21  GLN   8          HE21      GLN   8   6.111  11.019  -5.010
   59   HE22  GLN   8          HE22      GLN   8   7.492  11.830  -4.388
   60    H    GLU   9           HN       GLU   9   2.914  13.038  -0.457
   61    HA   GLU   9           HA       GLU   9   4.282  11.679   1.631
   62    HB2  GLU   9           HB2      GLU   9   2.685  14.230   1.744
   63    HB3  GLU   9           HB1      GLU   9   3.861  13.697   2.930
   64    HG2  GLU   9           HG2      GLU   9   4.514  14.300   0.067
   65    HG3  GLU   9           HG1      GLU   9   4.635  15.463   1.383
   66    H    GLU  10           HN       GLU  10   1.046  12.515   1.018
   67    HA   GLU  10           HA       GLU  10  -0.220  11.966   3.418
   68    HB2  GLU  10           HB2      GLU  10  -1.023  13.225   1.403
   69    HB3  GLU  10           HB1      GLU  10  -1.210  11.697   0.591
   70    HG2  GLU  10           HG2      GLU  10  -3.077  11.135   1.842
   71    HG3  GLU  10           HG1      GLU  10  -2.660  12.272   3.131
   72    H    LEU  11           HN       LEU  11   0.107   9.919   0.513
   73    HA   LEU  11           HA       LEU  11  -0.912   7.583   1.751
   74    HB2  LEU  11           HB2      LEU  11   0.658   8.052  -0.744
   75    HB3  LEU  11           HB1      LEU  11   0.088   6.458  -0.276
   76    HG   LEU  11           HG       LEU  11  -1.723   8.825  -0.735
   77   HD11  LEU  11          HD11      LEU  11  -0.484   8.233  -2.747
   78   HD12  LEU  11          HD12      LEU  11  -2.200   7.847  -2.898
   79   HD13  LEU  11          HD13      LEU  11  -1.022   6.561  -2.594
   80   HD21  LEU  11          HD21      LEU  11  -2.221   5.862  -0.477
   81   HD22  LEU  11          HD22      LEU  11  -3.436   7.056  -0.909
   82   HD23  LEU  11          HD23      LEU  11  -2.687   7.104   0.686
   83    H    LYS  12           HN       LYS  12   2.282   8.938   1.553
   84    HA   LYS  12           HA       LYS  12   3.861   6.673   2.007
   85    HB2  LYS  12           HB2      LYS  12   4.147   9.542   2.577
   86    HB3  LYS  12           HB1      LYS  12   5.294   8.481   3.335
   87    HG2  LYS  12           HG2      LYS  12   5.918   7.663   1.083
   88    HG3  LYS  12           HG1      LYS  12   4.808   8.869   0.399
   89    HD2  LYS  12           HD2      LYS  12   5.994  10.643   1.535
   90    HD3  LYS  12           HD1      LYS  12   7.056   9.465   2.291
   91    HE2  LYS  12           HE2      LYS  12   8.005   8.899   0.177
   92    HE3  LYS  12           HE1      LYS  12   6.839   9.930  -0.663
   93    HZ1  LYS  12           HZ1      LYS  12   8.947  11.067  -0.372
   94    HZ2  LYS  12           HZ2      LYS  12   8.821  10.895   1.318
   95    HZ3  LYS  12           HZ3      LYS  12   7.700  11.819   0.473
   96    H    GLU  13           HN       GLU  13   2.276   8.804   4.356
   97    HA   GLU  13           HA       GLU  13   3.440   7.230   6.459
   98    HB2  GLU  13           HB2      GLU  13   2.278   8.829   8.015
   99    HB3  GLU  13           HB1      GLU  13   3.489   9.513   6.944
  100    HG2  GLU  13           HG2      GLU  13   1.747  10.372   5.502
  101    HG3  GLU  13           HG1      GLU  13   0.519   9.642   6.542
  102    H    MET  14           HN       MET  14   0.790   6.872   4.634
  103    HA   MET  14           HA       MET  14  -0.753   5.575   6.732
  104    HB2  MET  14           HB2      MET  14  -1.282   5.827   3.752
  105    HB3  MET  14           HB1      MET  14  -2.353   5.038   4.897
  106    HG2  MET  14           HG2      MET  14  -2.668   7.183   6.058
  107    HG3  MET  14           HG1      MET  14  -1.613   7.959   4.881
  108    HE1  MET  14           HE1      MET  14  -4.363   5.152   4.235
  109    HE2  MET  14           HE2      MET  14  -5.761   6.161   3.867
  110    HE3  MET  14           HE3      MET  14  -5.063   6.178   5.486
  111    H    ALA  15           HN       ALA  15  -0.946   3.351   6.856
  112    HA   ALA  15           HA       ALA  15   1.196   1.792   5.903
  113    HB1  ALA  15           HB1      ALA  15  -0.047   1.211   7.940
  114    HB2  ALA  15           HB2      ALA  15  -0.089  -0.128   6.795
  115    HB3  ALA  15           HB3      ALA  15  -1.494   0.922   6.981
  116    H    LEU  16           HN       LEU  16   1.352   0.460   4.122
  117    HA   LEU  16           HA       LEU  16  -0.388   1.315   2.073
  118    HB2  LEU  16           HB2      LEU  16   0.919   0.177   0.413
  119    HB3  LEU  16           HB1      LEU  16   1.945   1.093   1.484
  120    HG   LEU  16           HG       LEU  16   1.624  -1.911   1.514
  121   HD11  LEU  16          HD11      LEU  16   3.748  -0.121   0.362
  122   HD12  LEU  16          HD12      LEU  16   2.664  -1.188  -0.528
  123   HD13  LEU  16          HD13      LEU  16   3.906  -1.862   0.524
  124   HD21  LEU  16          HD21      LEU  16   2.308  -0.999   3.700
  125   HD22  LEU  16          HD22      LEU  16   3.622  -0.124   2.919
  126   HD23  LEU  16          HD23      LEU  16   3.624  -1.887   2.935
  127    H    VAL  17           HN       VAL  17  -0.626  -1.341   4.125
  128    HA   VAL  17           HA       VAL  17  -2.262  -2.858   2.346
  129    HB   VAL  17           HB       VAL  17  -1.223  -3.810   4.468
  130   HG11  VAL  17          HG11      VAL  17  -3.478  -2.377   5.848
  131   HG12  VAL  17          HG12      VAL  17  -1.762  -2.026   6.019
  132   HG13  VAL  17          HG13      VAL  17  -2.407  -3.569   6.586
  133   HG21  VAL  17          HG21      VAL  17  -3.112  -5.289   4.996
  134   HG22  VAL  17          HG22      VAL  17  -2.917  -5.053   3.260
  135   HG23  VAL  17          HG23      VAL  17  -4.191  -4.198   4.128
  136    H    GLU  18           HN       GLU  18  -2.773  -0.177   4.459
  137    HA   GLU  18           HA       GLU  18  -5.621  -0.170   4.386
  138    HB2  GLU  18           HB2      GLU  18  -3.691   2.108   4.887
  139    HB3  GLU  18           HB1      GLU  18  -5.396   2.081   5.318
  140    HG2  GLU  18           HG2      GLU  18  -3.370   0.153   6.412
  141    HG3  GLU  18           HG1      GLU  18  -3.796   1.669   7.202
  142    H    ILE  19           HN       ILE  19  -3.019   1.358   2.608
  143    HA   ILE  19           HA       ILE  19  -4.563   2.898   0.812
  144    HB   ILE  19           HB       ILE  19  -1.900   1.542   0.239
  145   HG12  ILE  19          HG12      ILE  19  -2.439   4.335   1.284
  146   HG13  ILE  19          HG11      ILE  19  -1.829   2.997   2.249
  147   HG21  ILE  19          HG21      ILE  19  -1.596   3.289  -1.470
  148   HG22  ILE  19          HG22      ILE  19  -3.188   3.935  -1.100
  149   HG23  ILE  19          HG23      ILE  19  -3.041   2.331  -1.804
  150   HD11  ILE  19          HD11      ILE  19  -0.043   4.504   1.610
  151   HD12  ILE  19          HD12      ILE  19  -0.440   4.281  -0.092
  152   HD13  ILE  19          HD13      ILE  19   0.188   2.930   0.847
  153    H    ALA  20           HN       ALA  20  -3.241  -0.380   0.579
  154    HA   ALA  20           HA       ALA  20  -4.314  -1.057  -1.904
  155    HB1  ALA  20           HB1      ALA  20  -3.775  -3.334  -1.328
  156    HB2  ALA  20           HB2      ALA  20  -3.685  -2.914   0.381
  157    HB3  ALA  20           HB3      ALA  20  -2.492  -2.272  -0.746
  158    H    HIS  21           HN       HIS  21  -5.670  -1.354   1.347
  159    HA   HIS  21           HA       HIS  21  -8.043  -2.706   0.796
  160    HB2  HIS  21           HB2      HIS  21  -7.366  -2.107   3.093
  161    HB3  HIS  21           HB1      HIS  21  -7.588  -0.396   2.719
  162    HD1  HIS  21           HD1      HIS  21 -10.087   0.515   2.691
  163    HD2  HIS  21           HD2      HIS  21  -9.704  -3.534   3.649
  164    HE1  HIS  21           HE1      HIS  21 -12.300  -0.191   3.559
  165    HE2  HIS  21           HE2      HIS  21 -11.914  -2.514   4.445
  166    H    GLU  22           HN       GLU  22  -7.283   0.725   0.623
  167    HA   GLU  22           HA       GLU  22  -9.814   1.530  -0.236
  168    HB2  GLU  22           HB2      GLU  22  -7.171   2.896  -0.610
  169    HB3  GLU  22           HB1      GLU  22  -8.744   3.667  -0.816
  170    HG2  GLU  22           HG2      GLU  22  -7.522   2.602   1.725
  171    HG3  GLU  22           HG1      GLU  22  -7.826   4.286   1.305
  172    H    LEU  23           HN       LEU  23  -6.956   0.451  -2.036
  173    HA   LEU  23           HA       LEU  23  -7.823   1.102  -4.636
  174    HB2  LEU  23           HB2      LEU  23  -6.117  -1.134  -3.611
  175    HB3  LEU  23           HB1      LEU  23  -6.732  -1.255  -5.236
  176    HG   LEU  23           HG       LEU  23  -4.486  -0.473  -5.315
  177   HD11  LEU  23          HD11      LEU  23  -6.374   1.769  -5.944
  178   HD12  LEU  23          HD12      LEU  23  -5.891   0.437  -6.988
  179   HD13  LEU  23          HD13      LEU  23  -4.706   1.641  -6.489
  180   HD21  LEU  23          HD21      LEU  23  -4.271   0.420  -3.092
  181   HD22  LEU  23          HD22      LEU  23  -5.346   1.757  -3.486
  182   HD23  LEU  23          HD23      LEU  23  -3.764   1.630  -4.272
  183    H    PHE  24           HN       PHE  24  -8.566  -1.679  -2.673
  184    HA   PHE  24           HA       PHE  24 -10.203  -2.812  -4.693
  185    HB2  PHE  24           HB2      PHE  24  -9.727  -3.554  -1.835
  186    HB3  PHE  24           HB1      PHE  24 -10.848  -4.452  -2.852
  187    HD1  PHE  24           HD1      PHE  24  -9.981  -5.311  -5.059
  188    HD2  PHE  24           HD2      PHE  24  -7.467  -4.017  -1.926
  189    HE1  PHE  24           HE1      PHE  24  -8.126  -6.556  -6.042
  190    HE2  PHE  24           HE2      PHE  24  -5.598  -5.253  -2.916
  191    HZ   PHE  24           HZ       PHE  24  -5.928  -6.530  -4.975
  192    H    GLU  25           HN       GLU  25 -10.797  -0.675  -2.100
  193    HA   GLU  25           HA       GLU  25 -13.639  -0.932  -2.187
  194    HB2  GLU  25           HB2      GLU  25 -12.230   0.074  -0.296
  195    HB3  GLU  25           HB1      GLU  25 -12.106   1.514  -1.299
  196    HG2  GLU  25           HG2      GLU  25 -13.861   1.732   0.355
  197    HG3  GLU  25           HG1      GLU  25 -14.530   1.743  -1.284
  198    H    GLU  26           HN       GLU  26 -11.325   1.304  -3.538
  199    HA   GLU  26           HA       GLU  26 -12.876   3.064  -5.041
  200    HB2  GLU  26           HB2      GLU  26 -10.501   3.288  -4.386
  201    HB3  GLU  26           HB1      GLU  26 -10.083   1.971  -5.445
  202    HG2  GLU  26           HG2      GLU  26  -9.376   3.914  -6.522
  203    HG3  GLU  26           HG1      GLU  26 -10.856   3.446  -7.345
  204    H    HIS  27           HN       HIS  27 -11.439  -0.058  -5.819
  205    HA   HIS  27           HA       HIS  27 -12.273   0.082  -8.600
  206    HB2  HIS  27           HB2      HIS  27  -9.982  -0.640  -7.940
  207    HB3  HIS  27           HB1      HIS  27 -10.682  -2.073  -7.212
  208    HD1  HIS  27           HD1      HIS  27  -9.947  -3.942  -8.711
  209    HD2  HIS  27           HD2      HIS  27 -11.290  -0.635 -10.845
  210    HE1  HIS  27           HE1      HIS  27  -9.840  -4.599 -11.129
  211    HE2  HIS  27           HE2      HIS  27 -10.638  -2.569 -12.396
  212    H    LYS  28           HN       LYS  28 -13.131  -1.828  -5.698
  213    HA   LYS  28           HA       LYS  28 -14.814  -3.267  -5.237
  214    HB2  LYS  28           HB2      LYS  28 -15.981  -2.053  -7.734
  215    HB3  LYS  28           HB1      LYS  28 -16.815  -3.308  -6.832
  216    HG2  LYS  28           HG2      LYS  28 -15.934  -0.713  -5.626
  217    HG3  LYS  28           HG1      LYS  28 -17.524  -0.972  -6.350
  218    HD2  LYS  28           HD2      LYS  28 -17.908  -2.832  -4.772
  219    HD3  LYS  28           HD1      LYS  28 -16.349  -2.489  -4.018
  220    HE2  LYS  28           HE2      LYS  28 -18.617  -0.533  -4.253
  221    HE3  LYS  28           HE1      LYS  28 -18.262  -1.501  -2.822
  222    HZ1  LYS  28           HZ1      LYS  28 -17.375   0.830  -2.878
  223    HZ2  LYS  28           HZ2      LYS  28 -16.183   0.299  -3.967
  224    HZ3  LYS  28           HZ3      LYS  28 -16.314  -0.366  -2.435
  225    H    LYS  29           HN       LYS  29 -12.550  -4.092  -7.054
  226    HA   LYS  29           HA       LYS  29 -13.697  -6.580  -7.957
  227    HB2  LYS  29           HB2      LYS  29 -12.065  -4.771  -9.769
  228    HB3  LYS  29           HB1      LYS  29 -12.571  -6.403 -10.149
  229    HG2  LYS  29           HG2      LYS  29 -14.453  -4.105  -9.693
  230    HG3  LYS  29           HG1      LYS  29 -13.868  -4.608 -11.277
  231    HD2  LYS  29           HD2      LYS  29 -14.909  -6.804 -10.957
  232    HD3  LYS  29           HD1      LYS  29 -15.465  -6.310  -9.357
  233    HE2  LYS  29           HE2      LYS  29 -17.227  -6.137 -11.087
  234    HE3  LYS  29           HE1      LYS  29 -16.864  -4.593 -10.319
  235    HZ1  LYS  29           HZ1      LYS  29 -15.548  -3.970 -12.222
  236    HZ2  LYS  29           HZ2      LYS  29 -17.066  -4.402 -12.759
  237    HZ3  LYS  29           HZ3      LYS  29 -15.773  -5.465 -12.943
  238    HA   PRO  30           HA       PRO  30  -9.748  -7.802  -6.255
  239    HB2  PRO  30           HB2      PRO  30  -9.753 -10.023  -8.182
  240    HB3  PRO  30           HB1      PRO  30  -9.765 -10.063  -6.419
  241    HG2  PRO  30           HG2      PRO  30 -11.936 -10.743  -7.838
  242    HG3  PRO  30           HG1      PRO  30 -12.080  -9.864  -6.306
  243    HD2  PRO  30           HD2      PRO  30 -12.242  -8.830  -9.105
  244    HD3  PRO  30           HD1      PRO  30 -13.251  -8.451  -7.688
  245    H    VAL  31           HN       VAL  31  -7.483  -7.973  -6.862
  246    HA   VAL  31           HA       VAL  31  -6.847  -7.457  -9.656
  247    HB   VAL  31           HB       VAL  31  -5.597  -5.799  -7.455
  248   HG11  VAL  31          HG11      VAL  31  -5.613  -5.462 -10.431
  249   HG12  VAL  31          HG12      VAL  31  -4.280  -6.026  -9.420
  250   HG13  VAL  31          HG13      VAL  31  -4.852  -4.365  -9.279
  251   HG21  VAL  31          HG21      VAL  31  -7.806  -4.840  -9.271
  252   HG22  VAL  31          HG22      VAL  31  -6.844  -3.869  -8.138
  253   HG23  VAL  31          HG23      VAL  31  -7.926  -5.115  -7.523
  254    HA   PRO  32           HA       PRO  32  -3.586 -10.326  -8.338
  255    HB2  PRO  32           HB2      PRO  32  -1.881  -9.670 -10.450
  256    HB3  PRO  32           HB1      PRO  32  -3.064 -10.977 -10.470
  257    HG2  PRO  32           HG2      PRO  32  -3.215  -8.258 -11.650
  258    HG3  PRO  32           HG1      PRO  32  -3.945  -9.771 -12.208
  259    HD2  PRO  32           HD2      PRO  32  -5.348  -7.805 -11.003
  260    HD3  PRO  32           HD1      PRO  32  -5.786  -9.520 -10.863
  261    H    PHE  33           HN       PHE  33  -1.530 -10.073  -7.415
  262    HA   PHE  33           HA       PHE  33  -1.149  -7.802  -5.907
  263    HB2  PHE  33           HB2      PHE  33  -0.214 -10.083  -5.452
  264    HB3  PHE  33           HB1      PHE  33   0.994  -9.772  -6.701
  265    HD1  PHE  33           HD2      PHE  33   2.820  -8.201  -6.291
  266    HD2  PHE  33           HD1      PHE  33  -0.082  -9.044  -3.297
  267    HE1  PHE  33           HE2      PHE  33   4.291  -7.212  -4.593
  268    HE2  PHE  33           HE1      PHE  33   1.383  -8.060  -1.590
  269    HZ   PHE  33           HZ       PHE  33   3.577  -7.146  -2.223
  270    H    GLN  34           HN       GLN  34   0.500  -8.698  -8.914
  271    HA   GLN  34           HA       GLN  34   2.251  -6.508  -8.869
  272    HB2  GLN  34           HB2      GLN  34   1.460  -8.353 -11.093
  273    HB3  GLN  34           HB1      GLN  34   2.568  -7.012 -11.357
  274    HG2  GLN  34           HG2      GLN  34   3.045  -9.015  -9.181
  275    HG3  GLN  34           HG1      GLN  34   3.542  -9.328 -10.837
  276   HE21  GLN  34          HE21      GLN  34   3.707  -6.024  -9.626
  277   HE22  GLN  34          HE22      GLN  34   5.417  -5.991  -9.486
  278    H    GLU  35           HN       GLU  35  -0.994  -6.732 -10.257
  279    HA   GLU  35           HA       GLU  35  -0.641  -4.208 -11.599
  280    HB2  GLU  35           HB2      GLU  35  -3.126  -5.886 -11.169
  281    HB3  GLU  35           HB1      GLU  35  -3.117  -4.368 -12.047
  282    HG2  GLU  35           HG2      GLU  35  -1.497  -5.399 -13.653
  283    HG3  GLU  35           HG1      GLU  35  -1.722  -6.929 -12.808
  284    H    LEU  36           HN       LEU  36  -2.120  -5.452  -8.700
  285    HA   LEU  36           HA       LEU  36  -3.329  -3.140  -7.714
  286    HB2  LEU  36           HB2      LEU  36  -3.813  -5.126  -6.629
  287    HB3  LEU  36           HB1      LEU  36  -2.158  -5.603  -6.445
  288    HG   LEU  36           HG       LEU  36  -1.960  -3.705  -4.756
  289   HD11  LEU  36          HD11      LEU  36  -3.877  -2.432  -5.454
  290   HD12  LEU  36          HD12      LEU  36  -4.009  -2.885  -3.754
  291   HD13  LEU  36          HD13      LEU  36  -4.956  -3.741  -4.974
  292   HD21  LEU  36          HD21      LEU  36  -2.105  -6.022  -4.064
  293   HD22  LEU  36          HD22      LEU  36  -3.863  -5.969  -4.174
  294   HD23  LEU  36          HD23      LEU  36  -3.027  -5.000  -2.959
  295    H    LEU  37           HN       LEU  37  -0.060  -4.365  -7.357
  296    HA   LEU  37           HA       LEU  37   1.110  -2.443  -5.770
  297    HB2  LEU  37           HB2      LEU  37   2.219  -4.469  -6.419
  298    HB3  LEU  37           HB1      LEU  37   2.198  -3.984  -8.101
  299    HG   LEU  37           HG       LEU  37   3.653  -2.056  -7.473
  300   HD11  LEU  37          HD11      LEU  37   3.190  -1.942  -5.125
  301   HD12  LEU  37          HD12      LEU  37   4.913  -2.233  -5.380
  302   HD13  LEU  37          HD13      LEU  37   3.855  -3.555  -4.883
  303   HD21  LEU  37          HD21      LEU  37   4.733  -4.820  -6.977
  304   HD22  LEU  37          HD22      LEU  37   5.673  -3.395  -7.442
  305   HD23  LEU  37          HD23      LEU  37   4.488  -4.072  -8.553
  306    H    ASN  38           HN       ASN  38   0.733  -2.529  -9.293
  307    HA   ASN  38           HA       ASN  38   2.118  -0.095  -9.685
  308    HB2  ASN  38           HB2      ASN  38   0.264  -1.551 -11.568
  309    HB3  ASN  38           HB1      ASN  38   1.259  -0.170 -12.016
  310   HD21  ASN  38          HD21      ASN  38   1.372  -2.655 -13.206
  311   HD22  ASN  38          HD22      ASN  38   2.913  -3.359 -12.907
  312    H    GLU  39           HN       GLU  39  -1.222  -0.880  -9.161
  313    HA   GLU  39           HA       GLU  39  -2.112   1.727  -9.776
  314    HB2  GLU  39           HB2      GLU  39  -3.417  -0.432  -8.122
  315    HB3  GLU  39           HB1      GLU  39  -4.195   1.087  -8.556
  316    HG2  GLU  39           HG2      GLU  39  -3.264  -1.075 -10.422
  317    HG3  GLU  39           HG1      GLU  39  -4.926  -0.586 -10.086
  318    H    ILE  40           HN       ILE  40  -0.995   0.213  -6.827
  319    HA   ILE  40           HA       ILE  40  -1.436   2.431  -5.138
  320    HB   ILE  40           HB       ILE  40   0.797   0.360  -4.999
  321   HG12  ILE  40          HG12      ILE  40  -1.852   0.460  -3.524
  322   HG13  ILE  40          HG11      ILE  40  -1.486  -0.602  -4.879
  323   HG21  ILE  40          HG21      ILE  40   1.006   0.993  -2.624
  324   HG22  ILE  40          HG22      ILE  40  -0.181   2.273  -2.869
  325   HG23  ILE  40          HG23      ILE  40   1.372   2.344  -3.699
  326   HD11  ILE  40          HD11      ILE  40   0.230  -1.713  -3.532
  327   HD12  ILE  40          HD12      ILE  40  -1.355  -1.785  -2.762
  328   HD13  ILE  40          HD13      ILE  40  -0.145  -0.643  -2.181
  329    H    ALA  41           HN       ALA  41   1.366   1.423  -7.025
  330    HA   ALA  41           HA       ALA  41   3.039   3.591  -6.495
  331    HB1  ALA  41           HB1      ALA  41   3.797   1.455  -7.423
  332    HB2  ALA  41           HB2      ALA  41   4.418   2.851  -8.294
  333    HB3  ALA  41           HB3      ALA  41   3.095   1.898  -8.985
  334    H    SER  42           HN       SER  42   0.475   3.365  -8.858
  335    HA   SER  42           HA       SER  42   1.395   5.694 -10.151
  336    HB2  SER  42           HB2      SER  42  -0.973   5.681 -11.227
  337    HB3  SER  42           HB1      SER  42   0.140   4.372 -11.613
  338    HG   SER  42           HG       SER  42  -0.937   3.038 -10.323
  339    H    LEU  43           HN       LEU  43  -1.309   5.156  -7.903
  340    HA   LEU  43           HA       LEU  43  -1.982   7.900  -7.716
  341    HB2  LEU  43           HB2      LEU  43  -2.609   5.536  -5.962
  342    HB3  LEU  43           HB1      LEU  43  -3.084   7.146  -5.482
  343    HG   LEU  43           HG       LEU  43  -4.962   5.988  -6.439
  344   HD11  LEU  43          HD11      LEU  43  -4.890   8.347  -6.806
  345   HD12  LEU  43          HD12      LEU  43  -5.666   7.525  -8.156
  346   HD13  LEU  43          HD13      LEU  43  -4.013   8.114  -8.321
  347   HD21  LEU  43          HD21      LEU  43  -3.340   5.675  -8.962
  348   HD22  LEU  43          HD22      LEU  43  -5.050   5.283  -8.788
  349   HD23  LEU  43          HD23      LEU  43  -3.841   4.376  -7.878
  350    H    LEU  44           HN       LEU  44   0.112   5.853  -5.820
  351    HA   LEU  44           HA       LEU  44   1.061   8.039  -4.165
  352    HB2  LEU  44           HB2      LEU  44   0.919   5.826  -3.179
  353    HB3  LEU  44           HB1      LEU  44   1.773   5.124  -4.527
  354    HG   LEU  44           HG       LEU  44   3.812   6.354  -3.770
  355   HD11  LEU  44          HD11      LEU  44   2.190   6.848  -1.295
  356   HD12  LEU  44          HD12      LEU  44   2.720   8.080  -2.442
  357   HD13  LEU  44          HD13      LEU  44   3.910   7.179  -1.502
  358   HD21  LEU  44          HD21      LEU  44   2.574   4.381  -1.862
  359   HD22  LEU  44          HD22      LEU  44   4.296   4.764  -2.003
  360   HD23  LEU  44          HD23      LEU  44   3.449   4.005  -3.347
  361    H    GLY  45           HN       GLY  45   2.128   9.479  -5.457
  362    HA2  GLY  45           HA2      GLY  45   3.404   8.773  -7.901
  363    HA3  GLY  45           HA1      GLY  45   3.536  10.320  -7.091
  364    H    VAL  46           HN       VAL  46   4.803   7.039  -7.074
  365    HA   VAL  46           HA       VAL  46   7.463   8.072  -6.285
  366    HB   VAL  46           HB       VAL  46   7.793   5.978  -4.975
  367   HG11  VAL  46          HG11      VAL  46   7.180   7.995  -3.781
  368   HG12  VAL  46          HG12      VAL  46   6.407   6.599  -3.028
  369   HG13  VAL  46          HG13      VAL  46   5.472   7.677  -4.066
  370   HG21  VAL  46          HG21      VAL  46   5.774   4.630  -4.350
  371   HG22  VAL  46          HG22      VAL  46   6.187   4.541  -6.062
  372   HG23  VAL  46          HG23      VAL  46   4.851   5.546  -5.553
  373    H    LYS  47           HN       LYS  47   9.097   6.125  -6.609
  374    HA   LYS  47           HA       LYS  47   8.781   5.046  -9.284
  375    HB2  LYS  47           HB2      LYS  47  10.931   4.939  -7.208
  376    HB3  LYS  47           HB1      LYS  47  10.968   3.898  -8.607
  377    HG2  LYS  47           HG2      LYS  47  10.998   5.947 -10.016
  378    HG3  LYS  47           HG1      LYS  47  11.165   6.888  -8.519
  379    HD2  LYS  47           HD2      LYS  47  13.167   5.752  -7.928
  380    HD3  LYS  47           HD1      LYS  47  12.944   4.572  -9.208
  381    HE2  LYS  47           HE2      LYS  47  13.225   6.407 -10.845
  382    HE3  LYS  47           HE1      LYS  47  13.640   7.471  -9.491
  383    HZ1  LYS  47           HZ1      LYS  47  15.482   6.096  -8.957
  384    HZ2  LYS  47           HZ2      LYS  47  15.589   6.416 -10.619
  385    HZ3  LYS  47           HZ3      LYS  47  15.003   4.929 -10.068
  386    H    LYS  48           HN       LYS  48   9.136   2.773  -9.643
  387    HA   LYS  48           HA       LYS  48   7.591   1.131  -7.925
  388    HB2  LYS  48           HB2      LYS  48   8.013   0.910 -10.466
  389    HB3  LYS  48           HB1      LYS  48   9.503   0.118  -9.994
  390    HG2  LYS  48           HG2      LYS  48   8.014  -1.663 -10.278
  391    HG3  LYS  48           HG1      LYS  48   8.075  -1.343  -8.538
  392    HD2  LYS  48           HD2      LYS  48   5.758  -1.706  -9.265
  393    HD3  LYS  48           HD1      LYS  48   5.994  -0.072  -8.651
  394    HE2  LYS  48           HE2      LYS  48   4.614  -0.105 -10.692
  395    HE3  LYS  48           HE1      LYS  48   6.110   0.787 -10.984
  396    HZ1  LYS  48           HZ1      LYS  48   6.940  -1.347 -11.998
  397    HZ2  LYS  48           HZ2      LYS  48   5.679  -0.632 -12.816
  398    HZ3  LYS  48           HZ3      LYS  48   5.380  -1.961 -11.822
  399    H    GLU  49           HN       GLU  49  10.964   1.785  -8.406
  400    HA   GLU  49           HA       GLU  49  12.262  -0.357  -7.200
  401    HB2  GLU  49           HB2      GLU  49  13.048   2.559  -7.240
  402    HB3  GLU  49           HB1      GLU  49  14.135   1.235  -6.843
  403    HG2  GLU  49           HG2      GLU  49  13.852   0.334  -9.084
  404    HG3  GLU  49           HG1      GLU  49  12.724   1.631  -9.472
  405    H    GLU  50           HN       GLU  50  11.477   2.725  -5.678
  406    HA   GLU  50           HA       GLU  50  12.351   2.027  -3.089
  407    HB2  GLU  50           HB2      GLU  50  11.241   4.121  -2.428
  408    HB3  GLU  50           HB1      GLU  50  12.242   4.327  -3.857
  409    HG2  GLU  50           HG2      GLU  50  10.086   4.024  -5.203
  410    HG3  GLU  50           HG1      GLU  50   9.257   4.209  -3.672
  411    H    LEU  51           HN       LEU  51   9.227   1.943  -4.681
  412    HA   LEU  51           HA       LEU  51   7.820   1.176  -2.353
  413    HB2  LEU  51           HB2      LEU  51   6.755   2.278  -4.325
  414    HB3  LEU  51           HB1      LEU  51   7.030   0.813  -5.242
  415    HG   LEU  51           HG       LEU  51   5.537  -0.415  -3.693
  416   HD11  LEU  51          HD11      LEU  51   5.795   0.952  -1.705
  417   HD12  LEU  51          HD12      LEU  51   4.096   0.845  -2.165
  418   HD13  LEU  51          HD13      LEU  51   5.015   2.308  -2.518
  419   HD21  LEU  51          HD21      LEU  51   4.660   0.469  -5.762
  420   HD22  LEU  51          HD22      LEU  51   4.339   2.024  -4.991
  421   HD23  LEU  51          HD23      LEU  51   3.446   0.587  -4.489
  422    H    GLY  52           HN       GLY  52   9.831  -0.388  -4.611
  423    HA2  GLY  52           HA2      GLY  52   8.971  -3.057  -4.427
  424    HA3  GLY  52           HA1      GLY  52  10.582  -2.507  -4.858
  425    H    ASP  53           HN       ASP  53  11.285  -1.159  -2.630
  426    HA   ASP  53           HA       ASP  53  12.084  -3.143  -0.772
  427    HB2  ASP  53           HB2      ASP  53  11.721  -0.182  -0.259
  428    HB3  ASP  53           HB1      ASP  53  12.611  -1.299   0.765
  429    H    ARG  54           HN       ARG  54   9.491  -0.820  -0.799
  430    HA   ARG  54           HA       ARG  54   8.476  -1.682   1.699
  431    HB2  ARG  54           HB2      ARG  54   8.163   0.627   0.572
  432    HB3  ARG  54           HB1      ARG  54   6.839  -0.139  -0.296
  433    HG2  ARG  54           HG2      ARG  54   5.704  -0.638   1.775
  434    HG3  ARG  54           HG1      ARG  54   7.070  -0.032   2.703
  435    HD2  ARG  54           HD2      ARG  54   6.687   2.217   1.699
  436    HD3  ARG  54           HD1      ARG  54   5.252   1.575   0.903
  437    HE   ARG  54           HE       ARG  54   5.244   1.090   3.709
  438   HH11  ARG  54          HH11      ARG  54   4.572   3.681   1.381
  439   HH12  ARG  54          HH12      ARG  54   3.391   4.436   2.364
  440   HH21  ARG  54          HH21      ARG  54   3.628   2.157   5.039
  441   HH22  ARG  54          HH22      ARG  54   2.822   3.536   4.454
  442    H    ILE  55           HN       ILE  55   8.168  -2.977  -1.459
  443    HA   ILE  55           HA       ILE  55   5.711  -4.390  -1.197
  444    HB   ILE  55           HB       ILE  55   8.174  -5.223  -2.776
  445   HG12  ILE  55          HG12      ILE  55   5.669  -3.890  -3.764
  446   HG13  ILE  55          HG11      ILE  55   7.205  -3.065  -3.527
  447   HG21  ILE  55          HG21      ILE  55   6.727  -7.112  -2.373
  448   HG22  ILE  55          HG22      ILE  55   6.631  -6.639  -4.073
  449   HG23  ILE  55          HG23      ILE  55   5.338  -6.199  -2.958
  450   HD11  ILE  55          HD11      ILE  55   8.206  -4.671  -5.198
  451   HD12  ILE  55          HD12      ILE  55   6.996  -3.575  -5.844
  452   HD13  ILE  55          HD13      ILE  55   6.568  -5.251  -5.500
  453    H    ALA  56           HN       ALA  56   9.071  -5.229  -0.601
  454    HA   ALA  56           HA       ALA  56   8.691  -7.818   0.372
  455    HB1  ALA  56           HB1      ALA  56  10.888  -6.878  -0.123
  456    HB2  ALA  56           HB2      ALA  56  10.838  -7.558   1.509
  457    HB3  ALA  56           HB3      ALA  56  10.749  -5.805   1.272
  458    H    GLN  57           HN       GLN  57   8.724  -4.740   2.109
  459    HA   GLN  57           HA       GLN  57   8.123  -5.751   4.674
  460    HB2  GLN  57           HB2      GLN  57   8.892  -3.389   4.015
  461    HB3  GLN  57           HB1      GLN  57   7.224  -3.070   3.590
  462    HG2  GLN  57           HG2      GLN  57   8.134  -3.889   6.348
  463    HG3  GLN  57           HG1      GLN  57   7.960  -2.225   5.824
  464   HE21  GLN  57          HE21      GLN  57   6.688  -3.595   7.960
  465   HE22  GLN  57          HE22      GLN  57   4.982  -3.572   7.717
  466    H    PHE  58           HN       PHE  58   6.078  -4.645   2.029
  467    HA   PHE  58           HA       PHE  58   3.599  -4.826   3.234
  468    HB2  PHE  58           HB2      PHE  58   4.061  -3.692   1.096
  469    HB3  PHE  58           HB1      PHE  58   4.267  -5.253   0.327
  470    HD1  PHE  58           HD2      PHE  58   1.638  -4.113   2.727
  471    HD2  PHE  58           HD1      PHE  58   2.557  -5.391  -1.228
  472    HE1  PHE  58           HE2      PHE  58  -0.746  -4.146   2.187
  473    HE2  PHE  58           HE1      PHE  58   0.163  -5.419  -1.776
  474    HZ   PHE  58           HZ       PHE  58  -1.496  -4.794  -0.069
  475    H    TYR  59           HN       TYR  59   5.402  -7.318   1.445
  476    HA   TYR  59           HA       TYR  59   3.445  -9.312   1.579
  477    HB2  TYR  59           HB2      TYR  59   6.442  -9.527   1.610
  478    HB3  TYR  59           HB1      TYR  59   5.417 -10.949   1.761
  479    HD1  TYR  59           HD1      TYR  59   3.574 -11.109  -0.178
  480    HD2  TYR  59           HD2      TYR  59   7.251  -9.004  -0.444
  481    HE1  TYR  59           HE1      TYR  59   3.527 -11.344  -2.628
  482    HE2  TYR  59           HE2      TYR  59   7.206  -9.222  -2.883
  483    HH   TYR  59           HH       TYR  59   6.252 -10.627  -4.540
  484    H    THR  60           HN       THR  60   5.927  -8.424   3.952
  485    HA   THR  60           HA       THR  60   5.381 -10.364   5.857
  486    HB   THR  60           HB       THR  60   6.263  -7.498   6.282
  487    HG1  THR  60           HG1      THR  60   8.358  -8.452   6.233
  488   HG21  THR  60          HG21      THR  60   5.572  -8.600   8.365
  489   HG22  THR  60          HG22      THR  60   7.320  -8.358   8.332
  490   HG23  THR  60          HG23      THR  60   6.641  -9.953   8.004
  491    H    ASP  61           HN       ASP  61   4.033  -7.059   5.612
  492    HA   ASP  61           HA       ASP  61   2.352  -7.312   7.910
  493    HB2  ASP  61           HB2      ASP  61   3.243  -5.155   7.100
  494    HB3  ASP  61           HB1      ASP  61   2.234  -5.289   5.670
  495    H    LEU  62           HN       LEU  62   1.727  -7.497   4.459
  496    HA   LEU  62           HA       LEU  62  -1.069  -7.606   4.490
  497    HB2  LEU  62           HB2      LEU  62   0.360  -7.160   2.530
  498    HB3  LEU  62           HB1      LEU  62   0.856  -8.834   2.532
  499    HG   LEU  62           HG       LEU  62  -1.477  -9.490   2.034
  500   HD11  LEU  62          HD11      LEU  62  -3.036  -7.760   1.316
  501   HD12  LEU  62          HD12      LEU  62  -1.880  -6.519   1.799
  502   HD13  LEU  62          HD13      LEU  62  -2.603  -7.575   3.014
  503   HD21  LEU  62          HD21      LEU  62   0.165  -9.214   0.253
  504   HD22  LEU  62          HD22      LEU  62  -0.242  -7.502   0.133
  505   HD23  LEU  62          HD23      LEU  62  -1.442  -8.726  -0.282
  506    H    ASN  63           HN       ASN  63   1.347 -10.097   4.944
  507    HA   ASN  63           HA       ASN  63  -0.446 -12.294   4.552
  508    HB2  ASN  63           HB2      ASN  63   2.346 -12.118   5.640
  509    HB3  ASN  63           HB1      ASN  63   1.423 -13.612   5.738
  510   HD21  ASN  63          HD21      ASN  63   0.991 -11.515   2.997
  511   HD22  ASN  63          HD22      ASN  63   1.841 -12.503   1.864
  512    H    ILE  64           HN       ILE  64   0.100 -10.223   7.215
  513    HA   ILE  64           HA       ILE  64  -1.145 -12.200   8.987
  514    HB   ILE  64           HB       ILE  64  -0.386 -10.854  10.895
  515   HG12  ILE  64          HG12      ILE  64   0.919  -9.009   8.874
  516   HG13  ILE  64          HG11      ILE  64  -0.527  -8.617   9.796
  517   HG21  ILE  64          HG21      ILE  64   1.156 -12.536  10.050
  518   HG22  ILE  64          HG22      ILE  64   2.036 -11.133  10.670
  519   HG23  ILE  64          HG23      ILE  64   1.845 -11.349   8.935
  520   HD11  ILE  64          HD11      ILE  64   2.214  -9.142  10.927
  521   HD12  ILE  64          HD12      ILE  64   0.771  -8.730  11.859
  522   HD13  ILE  64          HD13      ILE  64   1.452  -7.563  10.724
  523    H    ASP  65           HN       ASP  65  -2.164 -10.112   6.914
  524    HA   ASP  65           HA       ASP  65  -3.752  -8.335   8.528
  525    HB2  ASP  65           HB2      ASP  65  -2.758  -7.505   6.442
  526    HB3  ASP  65           HB1      ASP  65  -3.693  -8.683   5.527
  527    H    GLY  66           HN       GLY  66  -5.987  -8.170   8.560
  528    HA2  GLY  66           HA2      GLY  66  -7.370 -10.730   8.058
  529    HA3  GLY  66           HA1      GLY  66  -7.749  -9.593   9.371
  530    H    ARG  67           HN       ARG  67  -7.186  -7.951   6.449
  531    HA   ARG  67           HA       ARG  67 -10.089  -7.866   5.985
  532    HB2  ARG  67           HB2      ARG  67  -8.040  -5.820   5.061
  533    HB3  ARG  67           HB1      ARG  67  -9.773  -5.716   4.855
  534    HG2  ARG  67           HG2      ARG  67  -9.307  -4.219   6.576
  535    HG3  ARG  67           HG1      ARG  67  -9.875  -5.657   7.420
  536    HD2  ARG  67           HD2      ARG  67  -7.624  -6.325   7.919
  537    HD3  ARG  67           HD1      ARG  67  -6.979  -5.021   6.930
  538    HE   ARG  67           HE       ARG  67  -8.642  -4.316   9.201
  539   HH11  ARG  67          HH11      ARG  67  -5.384  -4.626   7.818
  540   HH12  ARG  67          HH12      ARG  67  -4.669  -3.550   8.908
  541   HH21  ARG  67          HH21      ARG  67  -7.609  -2.847  10.755
  542   HH22  ARG  67          HH22      ARG  67  -5.950  -2.509  10.568
  543    H    PHE  68           HN       PHE  68  -6.927  -8.028   4.612
  544    HA   PHE  68           HA       PHE  68  -7.783  -8.487   1.952
  545    HB2  PHE  68           HB2      PHE  68  -5.261  -8.169   3.372
  546    HB3  PHE  68           HB1      PHE  68  -5.206  -9.250   1.981
  547    HD1  PHE  68           HD1      PHE  68  -6.397  -5.868   2.987
  548    HD2  PHE  68           HD2      PHE  68  -4.956  -8.416  -0.079
  549    HE1  PHE  68           HE1      PHE  68  -6.287  -3.957   1.440
  550    HE2  PHE  68           HE2      PHE  68  -4.838  -6.550  -1.613
  551    HZ   PHE  68           HZ       PHE  68  -5.506  -4.316  -0.890
  552    H    LEU  69           HN       LEU  69  -7.208 -10.246   0.731
  553    HA   LEU  69           HA       LEU  69  -6.784 -12.818   1.983
  554    HB2  LEU  69           HB2      LEU  69  -9.142 -12.653   2.137
  555    HB3  LEU  69           HB1      LEU  69  -9.272 -12.022   0.507
  556    HG   LEU  69           HG       LEU  69  -8.493 -14.240  -0.326
  557   HD11  LEU  69          HD11      LEU  69  -7.364 -15.031   1.653
  558   HD12  LEU  69          HD12      LEU  69  -8.633 -16.150   1.157
  559   HD13  LEU  69          HD13      LEU  69  -8.894 -15.073   2.528
  560   HD21  LEU  69          HD21      LEU  69 -10.619 -15.334   0.026
  561   HD22  LEU  69          HD22      LEU  69 -10.827 -13.614  -0.301
  562   HD23  LEU  69          HD23      LEU  69 -10.977 -14.229   1.345
  563    H    ALA  70           HN       ALA  70  -5.574 -14.007   0.616
  564    HA   ALA  70           HA       ALA  70  -5.288 -13.194  -2.150
  565    HB1  ALA  70           HB1      ALA  70  -3.704 -15.133  -2.246
  566    HB2  ALA  70           HB2      ALA  70  -4.090 -15.492  -0.562
  567    HB3  ALA  70           HB3      ALA  70  -3.273 -13.986  -0.976
  568    H    LEU  71           HN       LEU  71  -6.940 -13.728  -3.352
  569    HA   LEU  71           HA       LEU  71  -9.039 -15.316  -2.575
  570    HB2  LEU  71           HB2      LEU  71  -8.343 -14.638  -5.422
  571    HB3  LEU  71           HB1      LEU  71  -9.904 -15.148  -4.826
  572    HG   LEU  71           HG       LEU  71  -8.499 -12.543  -4.269
  573   HD11  LEU  71          HD11      LEU  71  -9.395 -12.653  -6.458
  574   HD12  LEU  71          HD12      LEU  71 -10.438 -11.626  -5.457
  575   HD13  LEU  71          HD13      LEU  71 -10.930 -13.268  -5.848
  576   HD21  LEU  71          HD21      LEU  71 -11.190 -13.496  -3.260
  577   HD22  LEU  71          HD22      LEU  71 -10.583 -11.849  -3.176
  578   HD23  LEU  71          HD23      LEU  71  -9.763 -13.127  -2.272
  579    H    SER  72           HN       SER  72  -7.496 -16.398  -5.636
  580    HA   SER  72           HA       SER  72  -7.796 -19.049  -4.459
  581    HB2  SER  72           HB2      SER  72  -9.041 -18.747  -6.536
  582    HB3  SER  72           HB1      SER  72  -7.563 -18.288  -7.378
  583    HG   SER  72           HG       SER  72  -8.558 -20.751  -6.800
  584    H    ASP  73           HN       ASP  73  -5.461 -17.524  -6.732
  585    HA   ASP  73           HA       ASP  73  -3.439 -19.242  -5.400
  586    HB2  ASP  73           HB2      ASP  73  -4.060 -20.061  -7.622
  587    HB3  ASP  73           HB1      ASP  73  -3.609 -18.517  -8.321
  588    H    GLN  74           HN       GLN  74  -4.208 -16.038  -6.364
  589    HA   GLN  74           HA       GLN  74  -1.760 -14.985  -5.384
  590    HB2  GLN  74           HB2      GLN  74  -1.049 -13.972  -7.725
  591    HB3  GLN  74           HB1      GLN  74  -0.484 -15.543  -7.193
  592    HG2  GLN  74           HG2      GLN  74  -1.118 -15.582  -9.545
  593    HG3  GLN  74           HG1      GLN  74  -2.151 -16.637  -8.599
  594   HE21  GLN  74          HE21      GLN  74  -3.776 -16.661 -10.010
  595   HE22  GLN  74          HE22      GLN  74  -4.803 -15.329 -10.373
  596    H    THR  75           HN       THR  75  -4.806 -14.430  -6.777
  597    HA   THR  75           HA       THR  75  -4.485 -11.612  -7.097
  598    HB   THR  75           HB       THR  75  -7.064 -13.163  -6.881
  599    HG1  THR  75           HG1      THR  75  -5.147 -13.020  -8.970
  600   HG21  THR  75          HG21      THR  75  -7.897 -11.384  -8.348
  601   HG22  THR  75          HG22      THR  75  -6.284 -10.678  -8.409
  602   HG23  THR  75          HG23      THR  75  -7.179 -10.695  -6.892
  603    H    TRP  76           HN       TRP  76  -4.720 -10.110  -5.455
  604    HA   TRP  76           HA       TRP  76  -5.716 -11.164  -2.971
  605    HB2  TRP  76           HB2      TRP  76  -4.084  -8.708  -3.622
  606    HB3  TRP  76           HB1      TRP  76  -4.813  -8.976  -2.045
  607    HD1  TRP  76           HD1      TRP  76  -2.050 -10.334  -4.327
  608    HE1  TRP  76           HE1      TRP  76  -0.419 -11.735  -2.915
  609    HE3  TRP  76           HE3      TRP  76  -4.611 -10.369   0.103
  610    HZ2  TRP  76           HZ2      TRP  76  -0.230 -12.723  -0.263
  611    HZ3  TRP  76           HZ3      TRP  76  -3.635 -11.556   2.020
  612    HH2  TRP  76           HH2      TRP  76  -1.494 -12.711   1.835
  613    H    GLY  77           HN       GLY  77  -7.088  -9.771  -1.757
  614    HA2  GLY  77           HA2      GLY  77  -8.490  -7.642  -2.863
  615    HA3  GLY  77           HA1      GLY  77  -9.402  -9.141  -3.094
  616    H    LEU  78           HN       LEU  78 -10.970  -8.479  -1.652
  617    HA   LEU  78           HA       LEU  78 -10.074  -8.250   1.116
  618    HB2  LEU  78           HB2      LEU  78 -12.700  -7.419  -0.123
  619    HB3  LEU  78           HB1      LEU  78 -12.279  -7.250   1.567
  620    HG   LEU  78           HG       LEU  78 -10.956  -5.805  -0.734
  621   HD11  LEU  78          HD11      LEU  78 -12.011  -3.818   0.200
  622   HD12  LEU  78          HD12      LEU  78 -12.816  -4.818   1.410
  623   HD13  LEU  78          HD13      LEU  78 -13.202  -5.018  -0.300
  624   HD21  LEU  78          HD21      LEU  78  -9.358  -6.194   1.071
  625   HD22  LEU  78          HD22      LEU  78 -10.515  -5.560   2.242
  626   HD23  LEU  78          HD23      LEU  78  -9.833  -4.494   1.017
  627    H    ARG  79           HN       ARG  79 -10.787  -9.625   2.580
  628    HA   ARG  79           HA       ARG  79 -11.713 -12.180   1.723
  629    HB2  ARG  79           HB2      ARG  79 -10.059 -11.657   3.574
  630    HB3  ARG  79           HB1      ARG  79 -11.405 -11.055   4.502
  631    HG2  ARG  79           HG2      ARG  79 -12.407 -13.212   4.608
  632    HG3  ARG  79           HG1      ARG  79 -11.206 -13.874   3.498
  633    HD2  ARG  79           HD2      ARG  79 -10.575 -14.498   5.698
  634    HD3  ARG  79           HD1      ARG  79  -9.443 -13.276   5.142
  635    HE   ARG  79           HE       ARG  79 -11.645 -12.228   6.689
  636   HH11  ARG  79          HH11      ARG  79  -8.253 -13.275   6.801
  637   HH12  ARG  79          HH12      ARG  79  -8.028 -12.846   8.418
  638   HH21  ARG  79          HH21      ARG  79 -11.334 -11.631   8.886
  639   HH22  ARG  79          HH22      ARG  79  -9.832 -11.856   9.659
  640    H    SER  80           HN       SER  80 -13.093  -9.280   2.938
  641    HA   SER  80           HA       SER  80 -15.368 -10.321   4.177
  642    HB2  SER  80           HB2      SER  80 -15.869  -7.791   4.038
  643    HB3  SER  80           HB1      SER  80 -14.559  -8.386   5.062
  644    HG   SER  80           HG       SER  80 -13.738  -6.746   3.869
  645    H    TRP  81           HN       TRP  81 -14.672  -9.739   0.845
  646    HA   TRP  81           HA       TRP  81 -17.245  -8.792  -0.006
  647    HB2  TRP  81           HB2      TRP  81 -15.142 -10.288  -1.532
  648    HB3  TRP  81           HB1      TRP  81 -16.640  -9.724  -2.237
  649    HD1  TRP  81           HD1      TRP  81 -16.586  -6.754  -0.985
  650    HE1  TRP  81           HE1      TRP  81 -14.909  -5.100  -1.989
  651    HE3  TRP  81           HE3      TRP  81 -13.316 -10.116  -2.986
  652    HZ2  TRP  81           HZ2      TRP  81 -12.516  -5.216  -3.482
  653    HZ3  TRP  81           HZ3      TRP  81 -11.358  -9.263  -4.207
  654    HH2  TRP  81           HH2      TRP  81 -10.964  -6.866  -4.438
  655    H    TYR  82           HN       TYR  82 -16.176 -11.794   1.027
  656    HA   TYR  82           HA       TYR  82 -18.512 -13.118  -0.122
  657    HB2  TYR  82           HB2      TYR  82 -15.817 -14.448   0.185
  658    HB3  TYR  82           HB1      TYR  82 -17.203 -15.007  -0.721
  659    HD1  TYR  82           HD2      TYR  82 -14.283 -12.789  -0.738
  660    HD2  TYR  82           HD1      TYR  82 -17.568 -14.227  -3.017
  661    HE1  TYR  82           HE2      TYR  82 -13.198 -12.001  -2.759
  662    HE2  TYR  82           HE1      TYR  82 -16.481 -13.417  -5.072
  663    HH   TYR  82           HH       TYR  82 -13.242 -12.567  -5.162
  Start of MODEL    4
    1    H1   GLY   2           HT1      GLY   2 -13.583   8.044  -0.787
    2    H2   GLY   2           HT2      GLY   2 -12.538   6.686  -0.773
    3    H3   GLY   2           HT3      GLY   2 -12.899   7.447  -2.216
    4    HA2  GLY   2           HA1      GLY   2 -11.754   9.425  -1.542
    5    HA3  GLY   2           HA2      GLY   2 -11.365   8.626  -0.019
    6    H    ILE   3           HN       ILE   3  -9.259   8.507  -0.250
    7    HA   ILE   3           HA       ILE   3  -7.231   7.863  -0.783
    8    HB   ILE   3           HB       ILE   3  -8.587   5.570  -0.634
    9   HG12  ILE   3          HG12      ILE   3  -6.248   5.893   0.094
   10   HG13  ILE   3          HG11      ILE   3  -6.502   4.323  -0.639
   11   HG21  ILE   3          HG21      ILE   3  -7.514   5.410  -3.443
   12   HG22  ILE   3          HG22      ILE   3  -9.207   5.330  -2.951
   13   HG23  ILE   3          HG23      ILE   3  -8.095   4.036  -2.504
   14   HD11  ILE   3          HD11      ILE   3  -5.415   5.070  -2.660
   15   HD12  ILE   3          HD12      ILE   3  -4.365   5.357  -1.264
   16   HD13  ILE   3          HD13      ILE   3  -5.251   6.692  -2.002
   17    H    LYS   4           HN       LYS   4  -9.155   7.643  -3.695
   18    HA   LYS   4           HA       LYS   4  -6.946   7.790  -5.531
   19    HB2  LYS   4           HB2      LYS   4  -9.065   6.485  -5.763
   20    HB3  LYS   4           HB1      LYS   4  -9.935   7.990  -5.911
   21    HG2  LYS   4           HG2      LYS   4  -8.918   8.434  -8.033
   22    HG3  LYS   4           HG1      LYS   4  -7.830   7.049  -7.851
   23    HD2  LYS   4           HD2      LYS   4  -9.742   5.532  -7.802
   24    HD3  LYS   4           HD1      LYS   4 -10.843   6.897  -7.943
   25    HE2  LYS   4           HE2      LYS   4 -10.489   5.679 -10.063
   26    HE3  LYS   4           HE1      LYS   4 -10.043   7.377 -10.152
   27    HZ1  LYS   4           HZ1      LYS   4  -8.006   5.278  -9.611
   28    HZ2  LYS   4           HZ2      LYS   4  -7.783   6.842 -10.176
   29    HZ3  LYS   4           HZ3      LYS   4  -8.512   5.671 -11.165
   30    H    GLN   5           HN       GLN   5  -7.284  10.009  -3.685
   31    HA   GLN   5           HA       GLN   5  -7.280  12.245  -5.544
   32    HB2  GLN   5           HB2      GLN   5  -8.809  13.567  -4.069
   33    HB3  GLN   5           HB1      GLN   5  -9.576  12.244  -4.944
   34    HG2  GLN   5           HG2      GLN   5  -9.561  10.878  -2.931
   35    HG3  GLN   5           HG1      GLN   5  -8.700  12.134  -2.058
   36   HE21  GLN   5          HE21      GLN   5 -11.337  12.827  -4.276
   37   HE22  GLN   5          HE22      GLN   5 -12.454  13.306  -3.061
   38    H    TYR   6           HN       TYR   6  -5.550  10.687  -3.465
   39    HA   TYR   6           HA       TYR   6  -4.944  12.942  -1.691
   40    HB2  TYR   6           HB2      TYR   6  -4.013  10.081  -1.457
   41    HB3  TYR   6           HB1      TYR   6  -3.663  11.370  -0.316
   42    HD1  TYR   6           HD2      TYR   6  -6.736  12.381  -0.793
   43    HD2  TYR   6           HD1      TYR   6  -4.860   8.786   0.486
   44    HE1  TYR   6           HE2      TYR   6  -8.775  11.753   0.403
   45    HE2  TYR   6           HE1      TYR   6  -6.906   8.152   1.683
   46    HH   TYR   6           HH       TYR   6  -8.914   9.249   2.622
   47    H    SER   7           HN       SER   7  -2.878  13.684  -1.392
   48    HA   SER   7           HA       SER   7  -1.217  13.436  -3.754
   49    HB2  SER   7           HB2      SER   7  -1.987  15.686  -2.942
   50    HB3  SER   7           HB1      SER   7  -1.109  15.407  -1.444
   51    HG   SER   7           HG       SER   7   0.275  15.276  -3.928
   52    H    GLN   8           HN       GLN   8   1.230  13.865  -2.942
   53    HA   GLN   8           HA       GLN   8   2.118  11.396  -2.128
   54    HB2  GLN   8           HB2      GLN   8   3.485  14.012  -2.331
   55    HB3  GLN   8           HB1      GLN   8   4.332  12.558  -1.818
   56    HG2  GLN   8           HG2      GLN   8   3.850  11.465  -3.791
   57    HG3  GLN   8           HG1      GLN   8   2.794  12.714  -4.405
   58   HE21  GLN   8          HE21      GLN   8   4.766  14.776  -3.329
   59   HE22  GLN   8          HE22      GLN   8   6.091  14.713  -4.428
   60    H    GLU   9           HN       GLU   9   2.094  14.333  -0.044
   61    HA   GLU   9           HA       GLU   9   3.475  13.304   2.133
   62    HB2  GLU   9           HB2      GLU   9   1.097  15.175   2.210
   63    HB3  GLU   9           HB1      GLU   9   2.184  14.882   3.550
   64    HG2  GLU   9           HG2      GLU   9   2.823  16.948   2.615
   65    HG3  GLU   9           HG1      GLU   9   4.004  15.737   2.107
   66    H    GLU  10           HN       GLU  10   0.163  13.128   1.349
   67    HA   GLU  10           HA       GLU  10  -0.897  11.902   3.662
   68    HB2  GLU  10           HB2      GLU  10  -2.097  13.014   1.721
   69    HB3  GLU  10           HB1      GLU  10  -1.834  11.513   0.837
   70    HG2  GLU  10           HG2      GLU  10  -4.036  11.388   1.706
   71    HG3  GLU  10           HG1      GLU  10  -3.051  10.364   2.752
   72    H    LEU  11           HN       LEU  11  -0.018  10.587   0.525
   73    HA   LEU  11           HA       LEU  11  -0.591   7.898   1.176
   74    HB2  LEU  11           HB2      LEU  11   0.924   9.006  -1.175
   75    HB3  LEU  11           HB1      LEU  11   0.251   7.389  -0.961
   76    HG   LEU  11           HG       LEU  11  -1.496   9.833  -0.936
   77   HD11  LEU  11          HD11      LEU  11  -0.828   8.055  -3.269
   78   HD12  LEU  11          HD12      LEU  11  -0.360   9.745  -3.084
   79   HD13  LEU  11          HD13      LEU  11  -2.062   9.312  -3.247
   80   HD21  LEU  11          HD21      LEU  11  -2.028   6.890  -1.330
   81   HD22  LEU  11          HD22      LEU  11  -3.233   8.160  -1.466
   82   HD23  LEU  11          HD23      LEU  11  -2.455   7.851   0.086
   83    H    LYS  12           HN       LYS  12   2.366   9.749   1.081
   84    HA   LYS  12           HA       LYS  12   4.272   7.686   1.261
   85    HB2  LYS  12           HB2      LYS  12   4.207  10.569   2.019
   86    HB3  LYS  12           HB1      LYS  12   5.594   9.639   2.495
   87    HG2  LYS  12           HG2      LYS  12   4.669   9.809  -0.366
   88    HG3  LYS  12           HG1      LYS  12   5.731  11.013   0.356
   89    HD2  LYS  12           HD2      LYS  12   7.321   9.154   0.921
   90    HD3  LYS  12           HD1      LYS  12   6.281   8.068  -0.003
   91    HE2  LYS  12           HE2      LYS  12   6.671   9.344  -2.033
   92    HE3  LYS  12           HE1      LYS  12   7.548  10.567  -1.127
   93    HZ1  LYS  12           HZ1      LYS  12   8.500   7.741  -1.534
   94    HZ2  LYS  12           HZ2      LYS  12   9.250   8.916  -0.632
   95    HZ3  LYS  12           HZ3      LYS  12   9.099   9.139  -2.266
   96    H    GLU  13           HN       GLU  13   2.280   9.226   3.690
   97    HA   GLU  13           HA       GLU  13   3.854   8.009   5.817
   98    HB2  GLU  13           HB2      GLU  13   1.664  10.060   5.956
   99    HB3  GLU  13           HB1      GLU  13   2.597   9.473   7.324
  100    HG2  GLU  13           HG2      GLU  13   3.699  10.952   4.940
  101    HG3  GLU  13           HG1      GLU  13   3.411  11.635   6.539
  102    H    MET  14           HN       MET  14   0.724   7.680   4.329
  103    HA   MET  14           HA       MET  14  -0.399   6.261   6.565
  104    HB2  MET  14           HB2      MET  14  -2.354   5.859   5.170
  105    HB3  MET  14           HB1      MET  14  -1.877   7.545   5.073
  106    HG2  MET  14           HG2      MET  14  -0.787   7.078   2.931
  107    HG3  MET  14           HG1      MET  14  -1.345   5.412   3.025
  108    HE1  MET  14           HE1      MET  14  -5.259   5.878   2.817
  109    HE2  MET  14           HE2      MET  14  -4.304   5.839   4.296
  110    HE3  MET  14           HE3      MET  14  -3.942   4.716   2.981
  111    H    ALA  15           HN       ALA  15  -1.430   4.047   6.171
  112    HA   ALA  15           HA       ALA  15   0.757   2.267   5.648
  113    HB1  ALA  15           HB1      ALA  15  -2.079   1.666   6.489
  114    HB2  ALA  15           HB2      ALA  15  -0.726   1.954   7.580
  115    HB3  ALA  15           HB3      ALA  15  -0.724   0.540   6.529
  116    H    LEU  16           HN       LEU  16   1.053   1.011   3.945
  117    HA   LEU  16           HA       LEU  16  -0.501   1.525   1.643
  118    HB2  LEU  16           HB2      LEU  16   0.976  -0.048   0.393
  119    HB3  LEU  16           HB1      LEU  16   1.828   1.259   1.167
  120    HG   LEU  16           HG       LEU  16   1.766  -1.563   2.277
  121   HD11  LEU  16          HD11      LEU  16   3.992  -1.784   1.254
  122   HD12  LEU  16          HD12      LEU  16   3.789  -0.215   0.480
  123   HD13  LEU  16          HD13      LEU  16   2.740  -1.563   0.034
  124   HD21  LEU  16          HD21      LEU  16   3.825  -0.819   3.419
  125   HD22  LEU  16          HD22      LEU  16   2.443   0.128   3.925
  126   HD23  LEU  16          HD23      LEU  16   3.596   0.802   2.771
  127    H    VAL  17           HN       VAL  17  -0.676  -0.917   4.003
  128    HA   VAL  17           HA       VAL  17  -2.166  -2.760   2.441
  129    HB   VAL  17           HB       VAL  17  -1.123  -3.367   4.655
  130   HG11  VAL  17          HG11      VAL  17  -1.700  -1.416   5.966
  131   HG12  VAL  17          HG12      VAL  17  -2.281  -2.884   6.749
  132   HG13  VAL  17          HG13      VAL  17  -3.408  -1.845   5.878
  133   HG21  VAL  17          HG21      VAL  17  -4.077  -3.932   4.433
  134   HG22  VAL  17          HG22      VAL  17  -2.945  -4.836   5.437
  135   HG23  VAL  17          HG23      VAL  17  -2.774  -4.850   3.682
  136    H    GLU  18           HN       GLU  18  -3.016   0.112   4.214
  137    HA   GLU  18           HA       GLU  18  -5.815  -0.243   3.851
  138    HB2  GLU  18           HB2      GLU  18  -4.125   2.008   4.844
  139    HB3  GLU  18           HB1      GLU  18  -5.814   2.295   4.435
  140    HG2  GLU  18           HG2      GLU  18  -4.863   0.203   6.370
  141    HG3  GLU  18           HG1      GLU  18  -5.449   1.805   6.825
  142    H    ILE  19           HN       ILE  19  -3.272   1.456   2.186
  143    HA   ILE  19           HA       ILE  19  -4.814   2.803   0.276
  144    HB   ILE  19           HB       ILE  19  -2.058   1.558  -0.045
  145   HG12  ILE  19          HG12      ILE  19  -2.868   4.399   0.629
  146   HG13  ILE  19          HG11      ILE  19  -2.224   3.228   1.768
  147   HG21  ILE  19          HG21      ILE  19  -1.737   3.130  -1.916
  148   HG22  ILE  19          HG22      ILE  19  -3.426   3.625  -1.777
  149   HG23  ILE  19          HG23      ILE  19  -3.027   1.969  -2.230
  150   HD11  ILE  19          HD11      ILE  19  -0.520   4.815   1.087
  151   HD12  ILE  19          HD12      ILE  19  -0.783   4.393  -0.601
  152   HD13  ILE  19          HD13      ILE  19  -0.108   3.201   0.502
  153    H    ALA  20           HN       ALA  20  -3.425  -0.455   0.211
  154    HA   ALA  20           HA       ALA  20  -4.561  -1.193  -2.260
  155    HB1  ALA  20           HB1      ALA  20  -3.688  -2.988   0.007
  156    HB2  ALA  20           HB2      ALA  20  -2.620  -2.318  -1.221
  157    HB3  ALA  20           HB3      ALA  20  -3.885  -3.453  -1.686
  158    H    HIS  21           HN       HIS  21  -5.640  -1.571   1.078
  159    HA   HIS  21           HA       HIS  21  -7.922  -3.107   0.759
  160    HB2  HIS  21           HB2      HIS  21  -7.038  -2.464   2.954
  161    HB3  HIS  21           HB1      HIS  21  -7.444  -0.783   2.610
  162    HD1  HIS  21           HD1      HIS  21  -8.621  -1.159   5.055
  163    HD2  HIS  21           HD2      HIS  21 -10.452  -3.013   1.823
  164    HE1  HIS  21           HE1      HIS  21 -10.964  -1.726   5.816
  165    HE2  HIS  21           HE2      HIS  21 -12.098  -2.507   3.725
  166    H    GLU  22           HN       GLU  22  -7.592   0.409   0.556
  167    HA   GLU  22           HA       GLU  22 -10.240   1.030  -0.076
  168    HB2  GLU  22           HB2      GLU  22  -7.691   2.422  -0.792
  169    HB3  GLU  22           HB1      GLU  22  -9.290   3.121  -0.977
  170    HG2  GLU  22           HG2      GLU  22  -7.980   2.315   1.614
  171    HG3  GLU  22           HG1      GLU  22  -8.260   3.961   1.043
  172    H    LEU  23           HN       LEU  23  -7.460   0.331  -2.106
  173    HA   LEU  23           HA       LEU  23  -8.471   0.918  -4.627
  174    HB2  LEU  23           HB2      LEU  23  -6.123   0.455  -4.092
  175    HB3  LEU  23           HB1      LEU  23  -6.514  -1.210  -3.762
  176    HG   LEU  23           HG       LEU  23  -6.845  -1.648  -6.169
  177   HD11  LEU  23          HD11      LEU  23  -7.810   0.566  -6.769
  178   HD12  LEU  23          HD12      LEU  23  -6.455   0.108  -7.804
  179   HD13  LEU  23          HD13      LEU  23  -6.218   1.289  -6.521
  180   HD21  LEU  23          HD21      LEU  23  -4.575  -1.195  -6.891
  181   HD22  LEU  23          HD22      LEU  23  -4.627  -1.749  -5.208
  182   HD23  LEU  23          HD23      LEU  23  -4.401  -0.039  -5.564
  183    H    PHE  24           HN       PHE  24  -8.645  -2.060  -2.806
  184    HA   PHE  24           HA       PHE  24 -10.116  -3.414  -4.859
  185    HB2  PHE  24           HB2      PHE  24  -9.352  -4.258  -2.093
  186    HB3  PHE  24           HB1      PHE  24 -10.341  -5.262  -3.161
  187    HD1  PHE  24           HD1      PHE  24  -9.468  -5.998  -5.293
  188    HD2  PHE  24           HD2      PHE  24  -7.053  -4.032  -2.442
  189    HE1  PHE  24           HE1      PHE  24  -7.487  -6.771  -6.460
  190    HE2  PHE  24           HE2      PHE  24  -5.033  -4.807  -3.602
  191    HZ   PHE  24           HZ       PHE  24  -5.255  -6.184  -5.630
  192    H    GLU  25           HN       GLU  25 -10.957  -1.933  -1.853
  193    HA   GLU  25           HA       GLU  25 -13.686  -2.635  -1.799
  194    HB2  GLU  25           HB2      GLU  25 -12.552  -1.649   0.126
  195    HB3  GLU  25           HB1      GLU  25 -12.231  -0.182  -0.773
  196    HG2  GLU  25           HG2      GLU  25 -14.014   0.088   0.882
  197    HG3  GLU  25           HG1      GLU  25 -14.569   0.378  -0.762
  198    H    GLU  26           HN       GLU  26 -11.924  -0.071  -3.367
  199    HA   GLU  26           HA       GLU  26 -14.133   1.256  -4.523
  200    HB2  GLU  26           HB2      GLU  26 -11.305   1.480  -4.391
  201    HB3  GLU  26           HB1      GLU  26 -11.788   1.703  -6.052
  202    HG2  GLU  26           HG2      GLU  26 -12.802   3.215  -3.641
  203    HG3  GLU  26           HG1      GLU  26 -11.677   3.825  -4.855
  204    H    HIS  27           HN       HIS  27 -11.720  -0.978  -5.877
  205    HA   HIS  27           HA       HIS  27 -12.838  -0.964  -8.485
  206    HB2  HIS  27           HB2      HIS  27 -10.449  -1.499  -7.938
  207    HB3  HIS  27           HB1      HIS  27 -10.989  -3.047  -7.308
  208    HD1  HIS  27           HD1      HIS  27 -10.609  -4.884  -8.959
  209    HD2  HIS  27           HD2      HIS  27 -11.435  -1.250 -10.819
  210    HE1  HIS  27           HE1      HIS  27 -10.444  -5.320 -11.419
  211    HE2  HIS  27           HE2      HIS  27 -10.539  -3.037 -12.430
  212    H    LYS  28           HN       LYS  28 -13.278  -3.103  -5.718
  213    HA   LYS  28           HA       LYS  28 -14.764  -4.662  -5.190
  214    HB2  LYS  28           HB2      LYS  28 -16.352  -3.374  -7.408
  215    HB3  LYS  28           HB1      LYS  28 -17.013  -4.585  -6.314
  216    HG2  LYS  28           HG2      LYS  28 -16.677  -3.161  -4.420
  217    HG3  LYS  28           HG1      LYS  28 -15.792  -1.994  -5.398
  218    HD2  LYS  28           HD2      LYS  28 -17.801  -1.511  -6.667
  219    HD3  LYS  28           HD1      LYS  28 -18.696  -2.724  -5.751
  220    HE2  LYS  28           HE2      LYS  28 -19.140  -0.452  -4.935
  221    HE3  LYS  28           HE1      LYS  28 -18.373  -1.458  -3.711
  222    HZ1  LYS  28           HZ1      LYS  28 -16.957   0.576  -5.382
  223    HZ2  LYS  28           HZ2      LYS  28 -16.273  -0.367  -4.142
  224    HZ3  LYS  28           HZ3      LYS  28 -17.435   0.753  -3.779
  225    H    LYS  29           HN       LYS  29 -12.798  -5.125  -7.361
  226    HA   LYS  29           HA       LYS  29 -13.679  -7.775  -8.008
  227    HB2  LYS  29           HB2      LYS  29 -12.526  -5.845 -10.042
  228    HB3  LYS  29           HB1      LYS  29 -12.517  -7.582 -10.249
  229    HG2  LYS  29           HG2      LYS  29 -15.012  -7.527 -10.189
  230    HG3  LYS  29           HG1      LYS  29 -14.918  -5.763 -10.144
  231    HD2  LYS  29           HD2      LYS  29 -15.262  -6.487 -12.438
  232    HD3  LYS  29           HD1      LYS  29 -13.643  -5.808 -12.277
  233    HE2  LYS  29           HE2      LYS  29 -12.736  -8.136 -12.076
  234    HE3  LYS  29           HE1      LYS  29 -14.365  -8.752 -12.344
  235    HZ1  LYS  29           HZ1      LYS  29 -12.754  -7.133 -14.229
  236    HZ2  LYS  29           HZ2      LYS  29 -14.306  -7.665 -14.542
  237    HZ3  LYS  29           HZ3      LYS  29 -13.036  -8.781 -14.364
  238    HA   PRO  30           HA       PRO  30  -9.576  -8.367  -6.461
  239    HB2  PRO  30           HB2      PRO  30  -9.361 -10.923  -7.853
  240    HB3  PRO  30           HB1      PRO  30  -9.621 -10.605  -6.147
  241    HG2  PRO  30           HG2      PRO  30 -11.551 -11.675  -7.717
  242    HG3  PRO  30           HG1      PRO  30 -11.896 -10.650  -6.321
  243    HD2  PRO  30           HD2      PRO  30 -11.833  -9.935  -9.212
  244    HD3  PRO  30           HD1      PRO  30 -13.031  -9.530  -7.959
  245    H    VAL  31           HN       VAL  31  -7.408  -8.417  -7.027
  246    HA   VAL  31           HA       VAL  31  -6.750  -8.140  -9.858
  247    HB   VAL  31           HB       VAL  31  -6.062  -6.058  -7.732
  248   HG11  VAL  31          HG11      VAL  31  -4.259  -6.335  -9.272
  249   HG12  VAL  31          HG12      VAL  31  -5.046  -4.770  -9.503
  250   HG13  VAL  31          HG13      VAL  31  -5.350  -6.087 -10.637
  251   HG21  VAL  31          HG21      VAL  31  -7.375  -4.473  -9.054
  252   HG22  VAL  31          HG22      VAL  31  -8.373  -5.807  -8.473
  253   HG23  VAL  31          HG23      VAL  31  -7.839  -5.772 -10.154
  254    HA   PRO  32           HA       PRO  32  -3.264 -10.534  -8.289
  255    HB2  PRO  32           HB2      PRO  32  -1.542 -10.013 -10.398
  256    HB3  PRO  32           HB1      PRO  32  -2.756 -11.295 -10.392
  257    HG2  PRO  32           HG2      PRO  32  -2.863  -8.577 -11.608
  258    HG3  PRO  32           HG1      PRO  32  -3.486 -10.111 -12.242
  259    HD2  PRO  32           HD2      PRO  32  -5.082  -8.251 -11.137
  260    HD3  PRO  32           HD1      PRO  32  -5.416  -9.983 -10.957
  261    H    PHE  33           HN       PHE  33  -1.178 -10.181  -7.482
  262    HA   PHE  33           HA       PHE  33  -0.801  -7.911  -5.983
  263    HB2  PHE  33           HB2      PHE  33   0.213 -10.172  -5.614
  264    HB3  PHE  33           HB1      PHE  33   1.384  -9.795  -6.879
  265    HD1  PHE  33           HD1      PHE  33   0.287  -9.068  -3.458
  266    HD2  PHE  33           HD2      PHE  33   3.239  -8.302  -6.427
  267    HE1  PHE  33           HE1      PHE  33   1.759  -8.114  -1.736
  268    HE2  PHE  33           HE2      PHE  33   4.716  -7.341  -4.714
  269    HZ   PHE  33           HZ       PHE  33   3.978  -7.257  -2.348
  270    H    GLN  34           HN       GLN  34   0.666  -8.691  -9.088
  271    HA   GLN  34           HA       GLN  34   2.421  -6.505  -9.150
  272    HB2  GLN  34           HB2      GLN  34   1.339  -8.250 -11.337
  273    HB3  GLN  34           HB1      GLN  34   2.476  -6.941 -11.652
  274    HG2  GLN  34           HG2      GLN  34   3.016  -9.114  -9.659
  275    HG3  GLN  34           HG1      GLN  34   3.473  -9.243 -11.360
  276   HE21  GLN  34          HE21      GLN  34   3.922  -7.354  -8.447
  277   HE22  GLN  34          HE22      GLN  34   5.499  -6.779  -8.847
  278    H    GLU  35           HN       GLU  35  -0.968  -6.702 -10.231
  279    HA   GLU  35           HA       GLU  35  -0.672  -4.274 -11.725
  280    HB2  GLU  35           HB2      GLU  35  -3.165  -5.754 -10.911
  281    HB3  GLU  35           HB1      GLU  35  -3.078  -4.413 -12.046
  282    HG2  GLU  35           HG2      GLU  35  -1.754  -7.078 -12.421
  283    HG3  GLU  35           HG1      GLU  35  -3.298  -6.609 -13.136
  284    H    LEU  36           HN       LEU  36  -2.006  -5.307  -8.634
  285    HA   LEU  36           HA       LEU  36  -3.171  -2.844  -7.978
  286    HB2  LEU  36           HB2      LEU  36  -3.370  -3.671  -5.702
  287    HB3  LEU  36           HB1      LEU  36  -3.760  -4.943  -6.825
  288    HG   LEU  36           HG       LEU  36  -1.276  -5.704  -6.377
  289   HD11  LEU  36          HD11      LEU  36  -0.526  -5.297  -4.093
  290   HD12  LEU  36          HD12      LEU  36  -1.848  -4.156  -3.861
  291   HD13  LEU  36          HD13      LEU  36  -0.582  -3.813  -5.042
  292   HD21  LEU  36          HD21      LEU  36  -3.209  -7.051  -5.849
  293   HD22  LEU  36          HD22      LEU  36  -3.494  -6.104  -4.386
  294   HD23  LEU  36          HD23      LEU  36  -2.058  -7.108  -4.513
  295    H    LEU  37           HN       LEU  37   0.062  -4.066  -7.611
  296    HA   LEU  37           HA       LEU  37   1.045  -2.150  -5.807
  297    HB2  LEU  37           HB2      LEU  37   1.901  -4.402  -6.198
  298    HB3  LEU  37           HB1      LEU  37   2.350  -3.943  -7.820
  299    HG   LEU  37           HG       LEU  37   3.988  -2.355  -6.866
  300   HD11  LEU  37          HD11      LEU  37   2.910  -1.992  -4.689
  301   HD12  LEU  37          HD12      LEU  37   4.568  -2.562  -4.500
  302   HD13  LEU  37          HD13      LEU  37   3.221  -3.675  -4.259
  303   HD21  LEU  37          HD21      LEU  37   5.536  -4.094  -6.204
  304   HD22  LEU  37          HD22      LEU  37   4.582  -4.589  -7.603
  305   HD23  LEU  37          HD23      LEU  37   4.201  -5.224  -6.000
  306    H    ASN  38           HN       ASN  38   1.064  -2.566  -9.289
  307    HA   ASN  38           HA       ASN  38   2.708  -0.345  -9.865
  308    HB2  ASN  38           HB2      ASN  38   0.921  -2.090 -11.517
  309    HB3  ASN  38           HB1      ASN  38   1.804  -0.743 -12.257
  310   HD21  ASN  38          HD21      ASN  38   2.001  -3.592 -12.720
  311   HD22  ASN  38          HD22      ASN  38   3.600  -4.073 -12.306
  312    H    GLU  39           HN       GLU  39  -0.792  -0.789  -9.804
  313    HA   GLU  39           HA       GLU  39  -1.373   1.819 -10.731
  314    HB2  GLU  39           HB2      GLU  39  -3.081   0.001  -9.017
  315    HB3  GLU  39           HB1      GLU  39  -3.651   1.408  -9.907
  316    HG2  GLU  39           HG2      GLU  39  -2.498  -1.105 -11.105
  317    HG3  GLU  39           HG1      GLU  39  -4.198  -0.651 -11.074
  318    H    ILE  40           HN       ILE  40  -1.035   0.422  -7.490
  319    HA   ILE  40           HA       ILE  40  -1.554   2.697  -5.965
  320    HB   ILE  40           HB       ILE  40   0.257   0.320  -5.460
  321   HG12  ILE  40          HG12      ILE  40  -2.361   1.164  -4.199
  322   HG13  ILE  40          HG11      ILE  40  -2.158  -0.074  -5.433
  323   HG21  ILE  40          HG21      ILE  40   1.261   2.169  -4.239
  324   HG22  ILE  40          HG22      ILE  40   0.540   0.997  -3.136
  325   HG23  ILE  40          HG23      ILE  40  -0.290   2.515  -3.467
  326   HD11  ILE  40          HD11      ILE  40  -0.841  -1.416  -3.870
  327   HD12  ILE  40          HD12      ILE  40  -2.447  -1.058  -3.231
  328   HD13  ILE  40          HD13      ILE  40  -1.043  -0.171  -2.637
  329    H    ALA  41           HN       ALA  41   1.531   1.559  -7.272
  330    HA   ALA  41           HA       ALA  41   3.067   3.707  -6.372
  331    HB1  ALA  41           HB1      ALA  41   3.655   2.059  -8.830
  332    HB2  ALA  41           HB2      ALA  41   4.041   1.616  -7.156
  333    HB3  ALA  41           HB3      ALA  41   4.798   3.029  -7.883
  334    H    SER  42           HN       SER  42   0.964   3.541  -9.089
  335    HA   SER  42           HA       SER  42   2.023   5.956 -10.256
  336    HB2  SER  42           HB2      SER  42  -0.703   4.720 -10.749
  337    HB3  SER  42           HB1      SER  42   0.159   5.842 -11.804
  338    HG   SER  42           HG       SER  42   1.209   3.299 -11.103
  339    H    LEU  43           HN       LEU  43  -0.886   5.277  -8.333
  340    HA   LEU  43           HA       LEU  43  -1.747   7.950  -8.126
  341    HB2  LEU  43           HB2      LEU  43  -3.183   6.095  -7.528
  342    HB3  LEU  43           HB1      LEU  43  -2.071   5.576  -6.288
  343    HG   LEU  43           HG       LEU  43  -2.630   7.558  -4.941
  344   HD11  LEU  43          HD11      LEU  43  -4.477   9.012  -5.563
  345   HD12  LEU  43          HD12      LEU  43  -4.633   8.169  -7.105
  346   HD13  LEU  43          HD13      LEU  43  -3.178   9.101  -6.756
  347   HD21  LEU  43          HD21      LEU  43  -4.913   6.904  -4.380
  348   HD22  LEU  43          HD22      LEU  43  -3.870   5.502  -4.625
  349   HD23  LEU  43          HD23      LEU  43  -5.015   5.982  -5.879
  350    H    LEU  44           HN       LEU  44   0.422   6.021  -6.227
  351    HA   LEU  44           HA       LEU  44   1.027   8.082  -4.337
  352    HB2  LEU  44           HB2      LEU  44   2.031   5.335  -4.854
  353    HB3  LEU  44           HB1      LEU  44   2.963   6.428  -3.867
  354    HG   LEU  44           HG       LEU  44   1.142   6.603  -2.316
  355   HD11  LEU  44          HD11      LEU  44  -0.232   4.515  -3.998
  356   HD12  LEU  44          HD12      LEU  44  -0.699   6.199  -3.881
  357   HD13  LEU  44          HD13      LEU  44  -0.831   5.159  -2.458
  358   HD21  LEU  44          HD21      LEU  44   1.303   4.296  -1.436
  359   HD22  LEU  44          HD22      LEU  44   2.839   5.011  -1.936
  360   HD23  LEU  44          HD23      LEU  44   2.049   3.826  -2.973
  361    H    GLY  45           HN       GLY  45   2.138   9.711  -5.013
  362    HA2  GLY  45           HA2      GLY  45   4.282   9.592  -6.875
  363    HA3  GLY  45           HA1      GLY  45   4.057  10.883  -5.702
  364    H    VAL  46           HN       VAL  46   5.236   7.693  -6.157
  365    HA   VAL  46           HA       VAL  46   7.382   8.006  -4.197
  366    HB   VAL  46           HB       VAL  46   7.051   5.686  -3.421
  367   HG11  VAL  46          HG11      VAL  46   6.061   7.343  -2.026
  368   HG12  VAL  46          HG12      VAL  46   4.994   5.938  -2.072
  369   HG13  VAL  46          HG13      VAL  46   4.606   7.380  -3.013
  370   HG21  VAL  46          HG21      VAL  46   4.544   5.692  -5.119
  371   HG22  VAL  46          HG22      VAL  46   4.949   4.444  -3.945
  372   HG23  VAL  46          HG23      VAL  46   5.978   4.701  -5.354
  373    H    LYS  47           HN       LYS  47   8.989   6.249  -4.654
  374    HA   LYS  47           HA       LYS  47   9.140   5.574  -7.508
  375    HB2  LYS  47           HB2      LYS  47  10.974   4.733  -5.242
  376    HB3  LYS  47           HB1      LYS  47  11.301   4.645  -6.953
  377    HG2  LYS  47           HG2      LYS  47  10.996   7.204  -5.419
  378    HG3  LYS  47           HG1      LYS  47  12.532   6.396  -5.712
  379    HD2  LYS  47           HD2      LYS  47  12.050   6.532  -8.126
  380    HD3  LYS  47           HD1      LYS  47  10.645   7.549  -7.744
  381    HE2  LYS  47           HE2      LYS  47  12.152   9.116  -6.552
  382    HE3  LYS  47           HE1      LYS  47  13.523   8.126  -7.034
  383    HZ1  LYS  47           HZ1      LYS  47  12.784   8.579  -9.397
  384    HZ2  LYS  47           HZ2      LYS  47  13.410   9.892  -8.554
  385    HZ3  LYS  47           HZ3      LYS  47  11.752   9.762  -8.739
  386    H    LYS  48           HN       LYS  48   8.795   3.454  -8.242
  387    HA   LYS  48           HA       LYS  48   7.666   1.667  -6.383
  388    HB2  LYS  48           HB2      LYS  48   7.006   1.500  -8.786
  389    HB3  LYS  48           HB1      LYS  48   8.644   0.995  -9.189
  390    HG2  LYS  48           HG2      LYS  48   8.399  -1.069  -8.051
  391    HG3  LYS  48           HG1      LYS  48   6.909  -0.548  -7.273
  392    HD2  LYS  48           HD2      LYS  48   5.711  -0.657  -9.346
  393    HD3  LYS  48           HD1      LYS  48   7.203  -0.943 -10.266
  394    HE2  LYS  48           HE2      LYS  48   5.998  -2.748  -8.171
  395    HE3  LYS  48           HE1      LYS  48   5.847  -2.973  -9.911
  396    HZ1  LYS  48           HZ1      LYS  48   8.239  -3.247 -10.043
  397    HZ2  LYS  48           HZ2      LYS  48   7.621  -4.362  -8.957
  398    HZ3  LYS  48           HZ3      LYS  48   8.414  -2.995  -8.395
  399    H    GLU  49           HN       GLU  49  10.790   2.387  -7.445
  400    HA   GLU  49           HA       GLU  49  12.431   0.324  -6.576
  401    HB2  GLU  49           HB2      GLU  49  12.843   3.262  -5.978
  402    HB3  GLU  49           HB1      GLU  49  14.083   2.028  -6.108
  403    HG2  GLU  49           HG2      GLU  49  13.680   1.838  -8.498
  404    HG3  GLU  49           HG1      GLU  49  12.327   2.949  -8.361
  405    H    GLU  50           HN       GLU  50  11.364   3.120  -4.605
  406    HA   GLU  50           HA       GLU  50  12.293   2.122  -2.129
  407    HB2  GLU  50           HB2      GLU  50  11.114   3.998  -1.094
  408    HB3  GLU  50           HB1      GLU  50  11.885   4.566  -2.567
  409    HG2  GLU  50           HG2      GLU  50   9.728   4.388  -3.741
  410    HG3  GLU  50           HG1      GLU  50   8.985   3.844  -2.249
  411    H    LEU  51           HN       LEU  51   9.253   2.045  -3.819
  412    HA   LEU  51           HA       LEU  51   7.754   0.918  -1.730
  413    HB2  LEU  51           HB2      LEU  51   6.811   2.136  -3.709
  414    HB3  LEU  51           HB1      LEU  51   7.258   0.753  -4.689
  415    HG   LEU  51           HG       LEU  51   5.684  -0.652  -3.417
  416   HD11  LEU  51          HD11      LEU  51   5.683   0.536  -1.300
  417   HD12  LEU  51          HD12      LEU  51   4.043   0.407  -1.935
  418   HD13  LEU  51          HD13      LEU  51   4.920   1.930  -2.064
  419   HD21  LEU  51          HD21      LEU  51   4.973   0.401  -5.488
  420   HD22  LEU  51          HD22      LEU  51   4.483   1.847  -4.602
  421   HD23  LEU  51          HD23      LEU  51   3.634   0.324  -4.341
  422    H    GLY  52           HN       GLY  52  10.058  -0.305  -3.946
  423    HA2  GLY  52           HA2      GLY  52   9.298  -3.017  -4.087
  424    HA3  GLY  52           HA1      GLY  52  10.903  -2.364  -4.391
  425    H    ASP  53           HN       ASP  53  11.517  -1.235  -2.100
  426    HA   ASP  53           HA       ASP  53  12.334  -3.323  -0.366
  427    HB2  ASP  53           HB2      ASP  53  11.803  -0.466   0.500
  428    HB3  ASP  53           HB1      ASP  53  12.939  -1.601   1.224
  429    H    ARG  54           HN       ARG  54   9.677  -1.098  -0.275
  430    HA   ARG  54           HA       ARG  54   8.486  -2.170   2.052
  431    HB2  ARG  54           HB2      ARG  54   7.439  -0.241  -0.004
  432    HB3  ARG  54           HB1      ARG  54   6.389  -0.882   1.245
  433    HG2  ARG  54           HG2      ARG  54   7.204   1.318   1.874
  434    HG3  ARG  54           HG1      ARG  54   7.855   0.103   2.969
  435    HD2  ARG  54           HD2      ARG  54   9.968   0.145   1.794
  436    HD3  ARG  54           HD1      ARG  54   9.310   1.260   0.604
  437    HE   ARG  54           HE       ARG  54   9.095   2.340   3.195
  438   HH11  ARG  54          HH11      ARG  54  11.467   1.722   0.618
  439   HH12  ARG  54          HH12      ARG  54  12.535   2.944   1.085
  440   HH21  ARG  54          HH21      ARG  54  10.582   4.085   3.850
  441   HH22  ARG  54          HH22      ARG  54  12.020   4.301   2.981
  442    H    ILE  55           HN       ILE  55   8.496  -3.295  -1.186
  443    HA   ILE  55           HA       ILE  55   6.021  -4.701  -1.173
  444    HB   ILE  55           HB       ILE  55   8.583  -5.316  -2.701
  445   HG12  ILE  55          HG12      ILE  55   6.020  -4.111  -3.716
  446   HG13  ILE  55          HG11      ILE  55   7.457  -3.179  -3.325
  447   HG21  ILE  55          HG21      ILE  55   7.280  -7.340  -2.493
  448   HG22  ILE  55          HG22      ILE  55   7.221  -6.750  -4.156
  449   HG23  ILE  55          HG23      ILE  55   5.846  -6.499  -3.082
  450   HD11  ILE  55          HD11      ILE  55   7.127  -5.244  -5.483
  451   HD12  ILE  55          HD12      ILE  55   8.678  -4.582  -5.035
  452   HD13  ILE  55          HD13      ILE  55   7.429  -3.513  -5.695
  453    H    ALA  56           HN       ALA  56   9.341  -5.513  -0.389
  454    HA   ALA  56           HA       ALA  56   8.956  -8.179   0.369
  455    HB1  ALA  56           HB1      ALA  56  11.002  -7.939   1.709
  456    HB2  ALA  56           HB2      ALA  56  10.879  -6.183   1.568
  457    HB3  ALA  56           HB3      ALA  56  11.170  -7.164   0.132
  458    H    GLN  57           HN       GLN  57   8.924  -5.261   2.343
  459    HA   GLN  57           HA       GLN  57   8.109  -6.451   4.768
  460    HB2  GLN  57           HB2      GLN  57   9.019  -4.056   4.225
  461    HB3  GLN  57           HB1      GLN  57   7.343  -3.653   3.940
  462    HG2  GLN  57           HG2      GLN  57   8.492  -4.652   6.551
  463    HG3  GLN  57           HG1      GLN  57   8.132  -2.980   6.168
  464   HE21  GLN  57          HE21      GLN  57   6.864  -6.036   7.160
  465   HE22  GLN  57          HE22      GLN  57   5.261  -5.477   7.468
  466    H    PHE  58           HN       PHE  58   6.276  -5.116   2.036
  467    HA   PHE  58           HA       PHE  58   3.733  -5.269   3.171
  468    HB2  PHE  58           HB2      PHE  58   4.303  -3.877   1.178
  469    HB3  PHE  58           HB1      PHE  58   4.420  -5.327   0.222
  470    HD1  PHE  58           HD2      PHE  58   1.936  -3.943   2.645
  471    HD2  PHE  58           HD1      PHE  58   2.651  -5.624  -1.199
  472    HE1  PHE  58           HE2      PHE  58  -0.451  -3.772   2.136
  473    HE2  PHE  58           HE1      PHE  58   0.256  -5.452  -1.720
  474    HZ   PHE  58           HZ       PHE  58  -1.303  -4.522  -0.055
  475    H    TYR  59           HN       TYR  59   5.595  -7.681   1.361
  476    HA   TYR  59           HA       TYR  59   3.540  -9.573   1.073
  477    HB2  TYR  59           HB2      TYR  59   6.466  -9.954   1.596
  478    HB3  TYR  59           HB1      TYR  59   5.386 -11.335   1.426
  479    HD1  TYR  59           HD1      TYR  59   3.886 -11.006  -0.896
  480    HD2  TYR  59           HD2      TYR  59   7.763  -9.517  -0.102
  481    HE1  TYR  59           HE1      TYR  59   4.377 -11.002  -3.316
  482    HE2  TYR  59           HE2      TYR  59   8.265  -9.474  -2.494
  483    HH   TYR  59           HH       TYR  59   7.549 -10.590  -4.458
  484    H    THR  60           HN       THR  60   5.853  -9.108   3.738
  485    HA   THR  60           HA       THR  60   4.802 -11.075   5.437
  486    HB   THR  60           HB       THR  60   5.938  -8.454   6.403
  487    HG1  THR  60           HG1      THR  60   7.835  -9.011   5.782
  488   HG21  THR  60          HG21      THR  60   6.901  -9.891   8.155
  489   HG22  THR  60          HG22      THR  60   6.134 -11.297   7.418
  490   HG23  THR  60          HG23      THR  60   5.142 -10.011   8.105
  491    H    ASP  61           HN       ASP  61   4.147  -7.609   5.288
  492    HA   ASP  61           HA       ASP  61   2.344  -7.359   7.421
  493    HB2  ASP  61           HB2      ASP  61   3.603  -5.510   6.348
  494    HB3  ASP  61           HB1      ASP  61   2.589  -5.670   4.927
  495    H    LEU  62           HN       LEU  62   1.778  -7.959   4.015
  496    HA   LEU  62           HA       LEU  62  -1.055  -7.746   4.120
  497    HB2  LEU  62           HB2      LEU  62   0.414  -7.347   2.136
  498    HB3  LEU  62           HB1      LEU  62   0.678  -9.070   2.049
  499    HG   LEU  62           HG       LEU  62  -1.721  -9.392   1.605
  500   HD11  LEU  62          HD11      LEU  62  -1.739  -6.373   1.576
  501   HD12  LEU  62          HD12      LEU  62  -2.579  -7.408   2.735
  502   HD13  LEU  62          HD13      LEU  62  -3.062  -7.404   1.042
  503   HD21  LEU  62          HD21      LEU  62  -1.678  -8.485  -0.664
  504   HD22  LEU  62          HD22      LEU  62  -0.127  -9.201  -0.228
  505   HD23  LEU  62          HD23      LEU  62  -0.319  -7.448  -0.225
  506    H    ASN  63           HN       ASN  63   1.240 -10.451   4.208
  507    HA   ASN  63           HA       ASN  63  -0.779 -12.460   4.004
  508    HB2  ASN  63           HB2      ASN  63   2.099 -12.703   4.939
  509    HB3  ASN  63           HB1      ASN  63   0.989 -14.054   4.774
  510   HD21  ASN  63          HD21      ASN  63  -0.249 -13.282   2.304
  511   HD22  ASN  63          HD22      ASN  63   0.957 -13.420   1.096
  512    H    ILE  64           HN       ILE  64   0.657 -10.777   6.705
  513    HA   ILE  64           HA       ILE  64  -0.579 -12.621   8.561
  514    HB   ILE  64           HB       ILE  64   0.342 -11.242  10.358
  515   HG12  ILE  64          HG12      ILE  64   1.402  -9.455   8.147
  516   HG13  ILE  64          HG11      ILE  64   0.127  -9.033   9.279
  517   HG21  ILE  64          HG21      ILE  64   2.329 -11.866   8.175
  518   HG22  ILE  64          HG22      ILE  64   1.737 -12.982   9.408
  519   HG23  ILE  64          HG23      ILE  64   2.735 -11.601   9.871
  520   HD11  ILE  64          HD11      ILE  64   1.730  -9.147  11.122
  521   HD12  ILE  64          HD12      ILE  64   2.242  -7.998   9.888
  522   HD13  ILE  64          HD13      ILE  64   3.004  -9.585   9.983
  523    H    ASP  65           HN       ASP  65  -1.561  -9.921   6.871
  524    HA   ASP  65           HA       ASP  65  -3.371  -8.870   8.849
  525    HB2  ASP  65           HB2      ASP  65  -2.358  -7.368   7.208
  526    HB3  ASP  65           HB1      ASP  65  -3.100  -8.280   5.898
  527    H    GLY  66           HN       GLY  66  -5.686  -8.923   8.712
  528    HA2  GLY  66           HA2      GLY  66  -6.638 -11.290   7.255
  529    HA3  GLY  66           HA1      GLY  66  -7.247 -10.772   8.841
  530    H    ARG  67           HN       ARG  67  -6.749  -8.122   6.687
  531    HA   ARG  67           HA       ARG  67  -9.652  -7.993   6.239
  532    HB2  ARG  67           HB2      ARG  67  -9.442  -5.678   6.093
  533    HB3  ARG  67           HB1      ARG  67  -8.063  -6.016   7.117
  534    HG2  ARG  67           HG2      ARG  67  -6.708  -6.074   4.926
  535    HG3  ARG  67           HG1      ARG  67  -8.108  -5.282   4.205
  536    HD2  ARG  67           HD2      ARG  67  -6.565  -3.584   4.871
  537    HD3  ARG  67           HD1      ARG  67  -7.918  -3.542   6.009
  538    HE   ARG  67           HE       ARG  67  -5.770  -5.246   6.805
  539   HH11  ARG  67          HH11      ARG  67  -6.806  -1.832   6.918
  540   HH12  ARG  67          HH12      ARG  67  -5.986  -1.546   8.375
  541   HH21  ARG  67          HH21      ARG  67  -4.668  -4.789   8.627
  542   HH22  ARG  67          HH22      ARG  67  -4.701  -3.253   9.412
  543    H    PHE  68           HN       PHE  68  -6.718  -8.665   4.803
  544    HA   PHE  68           HA       PHE  68  -7.734  -8.430   2.086
  545    HB2  PHE  68           HB2      PHE  68  -5.164  -8.149   3.319
  546    HB3  PHE  68           HB1      PHE  68  -5.110  -9.357   2.034
  547    HD1  PHE  68           HD1      PHE  68  -5.909  -5.854   2.813
  548    HD2  PHE  68           HD2      PHE  68  -5.299  -8.772  -0.202
  549    HE1  PHE  68           HE1      PHE  68  -5.831  -4.089   1.109
  550    HE2  PHE  68           HE2      PHE  68  -5.219  -7.019  -1.902
  551    HZ   PHE  68           HZ       PHE  68  -5.485  -4.706  -1.269
  552    H    LEU  69           HN       LEU  69  -7.342 -10.181   0.617
  553    HA   LEU  69           HA       LEU  69  -6.945 -12.780   1.812
  554    HB2  LEU  69           HB2      LEU  69  -9.346 -12.431   1.978
  555    HB3  LEU  69           HB1      LEU  69  -9.415 -12.012   0.287
  556    HG   LEU  69           HG       LEU  69  -8.760 -14.292  -0.337
  557   HD11  LEU  69          HD11      LEU  69  -8.872 -14.876   2.613
  558   HD12  LEU  69          HD12      LEU  69  -7.439 -14.911   1.582
  559   HD13  LEU  69          HD13      LEU  69  -8.736 -16.074   1.328
  560   HD21  LEU  69          HD21      LEU  69 -11.120 -13.732  -0.187
  561   HD22  LEU  69          HD22      LEU  69 -11.129 -14.151   1.523
  562   HD23  LEU  69          HD23      LEU  69 -10.848 -15.401   0.310
  563    H    ALA  70           HN       ALA  70  -5.720 -13.940   0.499
  564    HA   ALA  70           HA       ALA  70  -5.491 -13.269  -2.314
  565    HB1  ALA  70           HB1      ALA  70  -3.926 -15.219  -2.351
  566    HB2  ALA  70           HB2      ALA  70  -4.260 -15.492  -0.647
  567    HB3  ALA  70           HB3      ALA  70  -3.445 -14.008  -1.161
  568    H    LEU  71           HN       LEU  71  -7.122 -13.940  -3.512
  569    HA   LEU  71           HA       LEU  71  -8.989 -15.885  -2.625
  570    HB2  LEU  71           HB2      LEU  71  -8.652 -14.826  -5.421
  571    HB3  LEU  71           HB1      LEU  71 -10.071 -15.622  -4.781
  572    HG   LEU  71           HG       LEU  71  -9.034 -12.858  -4.247
  573   HD11  LEU  71          HD11      LEU  71 -10.274 -13.201  -6.261
  574   HD12  LEU  71          HD12      LEU  71 -11.195 -12.243  -5.099
  575   HD13  LEU  71          HD13      LEU  71 -11.590 -13.943  -5.349
  576   HD21  LEU  71          HD21      LEU  71  -9.835 -13.730  -2.108
  577   HD22  LEU  71          HD22      LEU  71 -11.357 -14.211  -2.889
  578   HD23  LEU  71          HD23      LEU  71 -10.908 -12.505  -2.793
  579    H    SER  72           HN       SER  72  -9.649 -17.423  -4.710
  580    HA   SER  72           HA       SER  72  -8.506 -19.776  -4.425
  581    HB2  SER  72           HB2      SER  72  -9.613 -18.784  -7.025
  582    HB3  SER  72           HB1      SER  72  -9.688 -20.419  -6.355
  583    HG   SER  72           HG       SER  72 -11.628 -19.425  -5.915
  584    H    ASP  73           HN       ASP  73  -7.298 -17.386  -6.807
  585    HA   ASP  73           HA       ASP  73  -5.048 -19.226  -7.164
  586    HB2  ASP  73           HB2      ASP  73  -4.718 -18.600  -9.509
  587    HB3  ASP  73           HB1      ASP  73  -6.331 -19.234  -9.274
  588    H    GLN  74           HN       GLN  74  -5.408 -17.087  -5.344
  589    HA   GLN  74           HA       GLN  74  -4.101 -15.747  -4.230
  590    HB2  GLN  74           HB2      GLN  74  -2.077 -16.934  -6.024
  591    HB3  GLN  74           HB1      GLN  74  -1.608 -15.437  -5.226
  592    HG2  GLN  74           HG2      GLN  74  -0.933 -17.454  -3.973
  593    HG3  GLN  74           HG1      GLN  74  -1.994 -16.396  -3.057
  594   HE21  GLN  74          HE21      GLN  74  -2.978 -18.671  -5.548
  595   HE22  GLN  74          HE22      GLN  74  -3.942 -19.647  -4.516
  596    H    THR  75           HN       THR  75  -5.556 -14.980  -6.538
  597    HA   THR  75           HA       THR  75  -4.621 -12.392  -7.330
  598    HB   THR  75           HB       THR  75  -7.527 -13.026  -6.930
  599    HG1  THR  75           HG1      THR  75  -6.341 -14.061  -9.231
  600   HG21  THR  75          HG21      THR  75  -7.706 -11.990  -9.146
  601   HG22  THR  75          HG22      THR  75  -5.947 -11.883  -9.239
  602   HG23  THR  75          HG23      THR  75  -6.826 -10.942  -8.032
  603    H    TRP  76           HN       TRP  76  -5.007 -10.378  -6.026
  604    HA   TRP  76           HA       TRP  76  -5.724 -11.125  -3.347
  605    HB2  TRP  76           HB2      TRP  76  -4.284  -8.720  -4.441
  606    HB3  TRP  76           HB1      TRP  76  -4.795  -8.875  -2.762
  607    HD1  TRP  76           HD1      TRP  76  -2.142 -10.074  -5.192
  608    HE1  TRP  76           HE1      TRP  76  -0.361 -11.407  -3.897
  609    HE3  TRP  76           HE3      TRP  76  -4.527 -10.459  -0.696
  610    HZ2  TRP  76           HZ2      TRP  76  -0.014 -12.483  -1.265
  611    HZ3  TRP  76           HZ3      TRP  76  -3.409 -11.639   1.141
  612    HH2  TRP  76           HH2      TRP  76  -1.197 -12.626   0.839
  613    H    GLY  77           HN       GLY  77  -7.201 -10.127  -2.216
  614    HA2  GLY  77           HA2      GLY  77  -8.756  -8.004  -3.292
  615    HA3  GLY  77           HA1      GLY  77  -9.586  -9.562  -3.213
  616    H    LEU  78           HN       LEU  78 -10.977  -8.595  -1.675
  617    HA   LEU  78           HA       LEU  78  -9.683  -8.040   0.888
  618    HB2  LEU  78           HB2      LEU  78 -12.400  -7.194  -0.065
  619    HB3  LEU  78           HB1      LEU  78 -11.726  -6.863   1.515
  620    HG   LEU  78           HG       LEU  78 -10.753  -5.788  -1.116
  621   HD11  LEU  78          HD11      LEU  78 -11.478  -3.647  -0.198
  622   HD12  LEU  78          HD12      LEU  78 -12.096  -4.476   1.232
  623   HD13  LEU  78          HD13      LEU  78 -12.815  -4.787  -0.348
  624   HD21  LEU  78          HD21      LEU  78  -9.216  -4.448   0.210
  625   HD22  LEU  78          HD22      LEU  78  -8.866  -6.165   0.379
  626   HD23  LEU  78          HD23      LEU  78  -9.704  -5.300   1.675
  627    H    ARG  79           HN       ARG  79 -10.206  -9.074   2.600
  628    HA   ARG  79           HA       ARG  79 -11.744 -11.492   2.500
  629    HB2  ARG  79           HB2      ARG  79  -9.691 -10.823   3.971
  630    HB3  ARG  79           HB1      ARG  79 -10.858  -9.946   4.936
  631    HG2  ARG  79           HG2      ARG  79 -10.400 -12.035   5.983
  632    HG3  ARG  79           HG1      ARG  79 -12.041 -12.090   5.340
  633    HD2  ARG  79           HD2      ARG  79 -11.421 -13.502   3.570
  634    HD3  ARG  79           HD1      ARG  79  -9.708 -13.118   3.764
  635    HE   ARG  79           HE       ARG  79 -10.224 -14.267   6.070
  636   HH11  ARG  79          HH11      ARG  79 -11.300 -15.392   2.890
  637   HH12  ARG  79          HH12      ARG  79 -10.984 -17.019   3.181
  638   HH21  ARG  79          HH21      ARG  79  -9.758 -16.485   6.495
  639   HH22  ARG  79          HH22      ARG  79 -10.062 -17.677   5.328
  640    H    SER  80           HN       SER  80 -11.993  -8.155   3.479
  641    HA   SER  80           HA       SER  80 -14.449  -8.222   4.813
  642    HB2  SER  80           HB2      SER  80 -13.063  -5.883   3.517
  643    HB3  SER  80           HB1      SER  80 -14.139  -5.874   4.920
  644    HG   SER  80           HG       SER  80 -12.521  -6.347   6.141
  645    H    TRP  81           HN       TRP  81 -14.152  -9.016   1.675
  646    HA   TRP  81           HA       TRP  81 -16.366  -7.414   0.611
  647    HB2  TRP  81           HB2      TRP  81 -14.708  -9.635  -0.532
  648    HB3  TRP  81           HB1      TRP  81 -16.226  -9.170  -1.270
  649    HD1  TRP  81           HD1      TRP  81 -15.656  -5.947  -0.922
  650    HE1  TRP  81           HE1      TRP  81 -14.032  -4.905  -2.610
  651    HE3  TRP  81           HE3      TRP  81 -13.220 -10.205  -2.382
  652    HZ2  TRP  81           HZ2      TRP  81 -12.027  -5.767  -4.357
  653    HZ3  TRP  81           HZ3      TRP  81 -11.476  -9.989  -4.113
  654    HH2  TRP  81           HH2      TRP  81 -10.896  -7.773  -5.058
  655    H    TYR  82           HN       TYR  82 -15.803 -10.256   2.344
  656    HA   TYR  82           HA       TYR  82 -18.469 -11.258   1.706
  657    HB2  TYR  82           HB2      TYR  82 -15.978 -12.911   2.259
  658    HB3  TYR  82           HB1      TYR  82 -17.571 -13.539   1.884
  659    HD1  TYR  82           HD1      TYR  82 -14.602 -11.846   0.492
  660    HD2  TYR  82           HD2      TYR  82 -18.308 -13.729  -0.410
  661    HE1  TYR  82           HE1      TYR  82 -13.948 -11.979  -1.866
  662    HE2  TYR  82           HE2      TYR  82 -17.649 -13.851  -2.787
  663    HH   TYR  82           HH       TYR  82 -14.455 -13.252  -3.794
  Start of MODEL    5
    1    H1   GLY   2           HT1      GLY   2 -13.811   6.438  -2.788
    2    H2   GLY   2           HT2      GLY   2 -12.788   7.344  -3.772
    3    H3   GLY   2           HT3      GLY   2 -12.714   7.501  -2.082
    4    HA2  GLY   2           HA1      GLY   2 -11.965   5.317  -1.828
    5    HA3  GLY   2           HA2      GLY   2 -12.016   5.055  -3.577
    6    H    ILE   3           HN       ILE   3  -9.957   5.033  -4.338
    7    HA   ILE   3           HA       ILE   3  -8.007   6.126  -2.563
    8    HB   ILE   3           HB       ILE   3  -7.650   3.858  -3.379
    9   HG12  ILE   3          HG12      ILE   3  -5.488   5.716  -4.397
   10   HG13  ILE   3          HG11      ILE   3  -5.715   5.277  -2.708
   11   HG21  ILE   3          HG21      ILE   3  -7.245   5.099  -6.096
   12   HG22  ILE   3          HG22      ILE   3  -8.589   4.063  -5.618
   13   HG23  ILE   3          HG23      ILE   3  -6.951   3.410  -5.682
   14   HD11  ILE   3          HD11      ILE   3  -5.074   3.371  -4.941
   15   HD12  ILE   3          HD12      ILE   3  -5.278   2.975  -3.227
   16   HD13  ILE   3          HD13      ILE   3  -3.938   4.002  -3.740
   17    H    LYS   4           HN       LYS   4  -9.189   7.033  -5.717
   18    HA   LYS   4           HA       LYS   4  -6.898   8.521  -6.457
   19    HB2  LYS   4           HB2      LYS   4  -9.680   8.555  -7.542
   20    HB3  LYS   4           HB1      LYS   4  -8.555   9.812  -8.015
   21    HG2  LYS   4           HG2      LYS   4  -8.406   8.226  -9.690
   22    HG3  LYS   4           HG1      LYS   4  -6.983   7.933  -8.705
   23    HD2  LYS   4           HD2      LYS   4  -7.828   5.792  -9.160
   24    HD3  LYS   4           HD1      LYS   4  -8.431   6.154  -7.544
   25    HE2  LYS   4           HE2      LYS   4 -10.584   6.769  -8.410
   26    HE3  LYS   4           HE1      LYS   4 -10.007   6.616 -10.071
   27    HZ1  LYS   4           HZ1      LYS   4 -10.308   4.483  -8.067
   28    HZ2  LYS   4           HZ2      LYS   4  -9.578   4.247  -9.562
   29    HZ3  LYS   4           HZ3      LYS   4 -11.246   4.674  -9.470
   30    H    GLN   5           HN       GLN   5  -9.184   9.289  -4.182
   31    HA   GLN   5           HA       GLN   5  -8.769  12.155  -4.479
   32    HB2  GLN   5           HB2      GLN   5 -10.309  12.409  -2.595
   33    HB3  GLN   5           HB1      GLN   5 -10.987  11.480  -3.923
   34    HG2  GLN   5           HG2      GLN   5 -10.468   9.424  -2.695
   35    HG3  GLN   5           HG1      GLN   5  -9.925  10.374  -1.321
   36   HE21  GLN   5          HE21      GLN   5 -12.505   9.462  -3.278
   37   HE22  GLN   5          HE22      GLN   5 -13.810   9.903  -2.212
   38    H    TYR   6           HN       TYR   6  -7.086   9.695  -2.953
   39    HA   TYR   6           HA       TYR   6  -6.306  11.359  -0.715
   40    HB2  TYR   6           HB2      TYR   6  -5.134   8.722  -1.610
   41    HB3  TYR   6           HB1      TYR   6  -4.749   9.564  -0.128
   42    HD1  TYR   6           HD1      TYR   6  -6.863  10.138   1.386
   43    HD2  TYR   6           HD2      TYR   6  -6.699   7.064  -1.513
   44    HE1  TYR   6           HE1      TYR   6  -8.684   8.978   2.538
   45    HE2  TYR   6           HE2      TYR   6  -8.506   5.880  -0.389
   46    HH   TYR   6           HH       TYR   6  -9.565   5.778   1.800
   47    H    SER   7           HN       SER   7  -4.580  12.605  -0.582
   48    HA   SER   7           HA       SER   7  -3.107  13.136  -2.978
   49    HB2  SER   7           HB2      SER   7  -2.861  14.227  -0.185
   50    HB3  SER   7           HB1      SER   7  -1.980  14.859  -1.582
   51    HG   SER   7           HG       SER   7  -4.801  14.745  -1.252
   52    H    GLN   8           HN       GLN   8  -0.630  13.555  -2.522
   53    HA   GLN   8           HA       GLN   8   0.428  10.960  -2.655
   54    HB2  GLN   8           HB2      GLN   8   1.184  12.969  -3.911
   55    HB3  GLN   8           HB1      GLN   8   1.864  13.588  -2.414
   56    HG2  GLN   8           HG2      GLN   8   3.272  11.605  -2.285
   57    HG3  GLN   8           HG1      GLN   8   2.611  11.086  -3.827
   58   HE21  GLN   8          HE21      GLN   8   3.080  12.277  -5.732
   59   HE22  GLN   8          HE22      GLN   8   4.515  13.204  -5.815
   60    H    GLU   9           HN       GLU   9   0.935  13.589  -0.339
   61    HA   GLU   9           HA       GLU   9   2.658  12.251   1.423
   62    HB2  GLU   9           HB2      GLU   9   0.761  14.338   2.435
   63    HB3  GLU   9           HB1      GLU   9   2.437  14.074   2.862
   64    HG2  GLU   9           HG2      GLU   9   2.524  16.046   1.672
   65    HG3  GLU   9           HG1      GLU   9   2.921  14.846   0.440
   66    H    GLU  10           HN       GLU  10  -0.799  12.558   1.284
   67    HA   GLU  10           HA       GLU  10  -1.719  11.508   3.673
   68    HB2  GLU  10           HB2      GLU  10  -3.165  12.434   1.946
   69    HB3  GLU  10           HB1      GLU  10  -2.708  11.122   0.863
   70    HG2  GLU  10           HG2      GLU  10  -4.928  10.751   1.710
   71    HG3  GLU  10           HG1      GLU  10  -3.839   9.527   2.358
   72    H    LEU  11           HN       LEU  11  -1.041   9.799   0.674
   73    HA   LEU  11           HA       LEU  11  -1.420   7.201   1.700
   74    HB2  LEU  11           HB2      LEU  11   0.007   8.159  -0.766
   75    HB3  LEU  11           HB1      LEU  11  -0.444   6.497  -0.443
   76    HG   LEU  11           HG       LEU  11  -2.427   8.756  -0.704
   77   HD11  LEU  11          HD11      LEU  11  -2.919   7.829  -2.903
   78   HD12  LEU  11          HD12      LEU  11  -1.595   6.675  -2.712
   79   HD13  LEU  11          HD13      LEU  11  -1.256   8.404  -2.791
   80   HD21  LEU  11          HD21      LEU  11  -2.761   5.759  -0.629
   81   HD22  LEU  11          HD22      LEU  11  -4.048   6.920  -0.934
   82   HD23  LEU  11          HD23      LEU  11  -3.245   6.892   0.635
   83    H    LYS  12           HN       LYS  12   1.306   9.331   1.581
   84    HA   LYS  12           HA       LYS  12   3.307   7.358   1.922
   85    HB2  LYS  12           HB2      LYS  12   3.279  10.319   2.232
   86    HB3  LYS  12           HB1      LYS  12   4.704   9.417   2.679
   87    HG2  LYS  12           HG2      LYS  12   4.782   8.501   0.381
   88    HG3  LYS  12           HG1      LYS  12   3.405   9.531  -0.026
   89    HD2  LYS  12           HD2      LYS  12   4.684  11.504   0.527
   90    HD3  LYS  12           HD1      LYS  12   6.053  10.507   1.024
   91    HE2  LYS  12           HE2      LYS  12   6.270   9.661  -1.227
   92    HE3  LYS  12           HE1      LYS  12   4.869  10.588  -1.740
   93    HZ1  LYS  12           HZ1      LYS  12   6.824  11.714  -2.369
   94    HZ2  LYS  12           HZ2      LYS  12   7.462  11.610  -0.812
   95    HZ3  LYS  12           HZ3      LYS  12   6.120  12.614  -1.086
   96    H    GLU  13           HN       GLU  13   1.082   8.654   4.149
   97    HA   GLU  13           HA       GLU  13   2.828   7.798   6.343
   98    HB2  GLU  13           HB2      GLU  13   1.570   9.410   7.790
   99    HB3  GLU  13           HB1      GLU  13   2.521  10.183   6.536
  100    HG2  GLU  13           HG2      GLU  13   0.459  10.455   5.194
  101    HG3  GLU  13           HG1      GLU  13  -0.451   9.755   6.532
  102    H    MET  14           HN       MET  14   1.231   6.357   4.671
  103    HA   MET  14           HA       MET  14  -0.740   5.169   6.452
  104    HB2  MET  14           HB2      MET  14  -1.762   6.801   4.826
  105    HB3  MET  14           HB1      MET  14  -1.053   5.877   3.530
  106    HG2  MET  14           HG2      MET  14  -2.376   4.062   3.975
  107    HG3  MET  14           HG1      MET  14  -3.039   4.780   5.466
  108    HE1  MET  14           HE1      MET  14  -6.201   4.921   3.113
  109    HE2  MET  14           HE2      MET  14  -5.580   4.449   4.697
  110    HE3  MET  14           HE3      MET  14  -5.016   3.622   3.248
  111    H    ALA  15           HN       ALA  15  -0.650   2.854   6.183
  112    HA   ALA  15           HA       ALA  15   1.759   1.877   4.986
  113    HB1  ALA  15           HB1      ALA  15   0.987  -0.331   5.724
  114    HB2  ALA  15           HB2      ALA  15  -0.591   0.345   6.116
  115    HB3  ALA  15           HB3      ALA  15   0.833   0.851   7.022
  116    H    LEU  16           HN       LEU  16   1.914   0.395   3.224
  117    HA   LEU  16           HA       LEU  16   0.164   1.233   1.166
  118    HB2  LEU  16           HB2      LEU  16   1.441   0.051  -0.446
  119    HB3  LEU  16           HB1      LEU  16   2.560   0.751   0.695
  120    HG   LEU  16           HG       LEU  16   1.773  -2.163   0.552
  121   HD11  LEU  16          HD11      LEU  16   3.086  -1.441  -1.361
  122   HD12  LEU  16          HD12      LEU  16   4.022  -2.503  -0.316
  123   HD13  LEU  16          HD13      LEU  16   4.306  -0.767  -0.281
  124   HD21  LEU  16          HD21      LEU  16   3.883  -0.784   2.215
  125   HD22  LEU  16          HD22      LEU  16   3.639  -2.528   2.095
  126   HD23  LEU  16          HD23      LEU  16   2.390  -1.509   2.815
  127    H    VAL  17           HN       VAL  17  -0.003  -1.430   3.298
  128    HA   VAL  17           HA       VAL  17  -1.807  -2.941   1.697
  129    HB   VAL  17           HB       VAL  17  -0.596  -3.864   3.717
  130   HG11  VAL  17          HG11      VAL  17  -1.562  -3.535   5.941
  131   HG12  VAL  17          HG12      VAL  17  -2.632  -2.298   5.281
  132   HG13  VAL  17          HG13      VAL  17  -0.887  -2.049   5.274
  133   HG21  VAL  17          HG21      VAL  17  -3.590  -4.168   3.706
  134   HG22  VAL  17          HG22      VAL  17  -2.455  -5.269   4.486
  135   HG23  VAL  17          HG23      VAL  17  -2.438  -5.080   2.734
  136    H    GLU  18           HN       GLU  18  -2.139  -0.199   3.800
  137    HA   GLU  18           HA       GLU  18  -4.989  -0.241   3.900
  138    HB2  GLU  18           HB2      GLU  18  -3.050   2.033   4.323
  139    HB3  GLU  18           HB1      GLU  18  -4.751   2.050   4.753
  140    HG2  GLU  18           HG2      GLU  18  -4.360   0.298   6.392
  141    HG3  GLU  18           HG1      GLU  18  -2.655   0.252   5.943
  142    H    ILE  19           HN       ILE  19  -2.504   1.334   2.001
  143    HA   ILE  19           HA       ILE  19  -4.137   2.889   0.323
  144    HB   ILE  19           HB       ILE  19  -1.495   1.558  -0.383
  145   HG12  ILE  19          HG12      ILE  19  -2.022   4.313   0.767
  146   HG13  ILE  19          HG11      ILE  19  -1.359   2.949   1.657
  147   HG21  ILE  19          HG21      ILE  19  -2.909   3.919  -1.622
  148   HG22  ILE  19          HG22      ILE  19  -2.615   2.350  -2.375
  149   HG23  ILE  19          HG23      ILE  19  -1.262   3.422  -2.000
  150   HD11  ILE  19          HD11      ILE  19   0.381   4.506   1.008
  151   HD12  ILE  19          HD12      ILE  19  -0.076   4.328  -0.687
  152   HD13  ILE  19          HD13      ILE  19   0.606   2.961   0.183
  153    H    ALA  20           HN       ALA  20  -2.936  -0.430  -0.016
  154    HA   ALA  20           HA       ALA  20  -4.184  -1.039  -2.451
  155    HB1  ALA  20           HB1      ALA  20  -2.383  -2.402  -1.390
  156    HB2  ALA  20           HB2      ALA  20  -3.770  -3.353  -1.904
  157    HB3  ALA  20           HB3      ALA  20  -3.560  -2.953  -0.199
  158    H    HIS  21           HN       HIS  21  -5.257  -1.332   0.876
  159    HA   HIS  21           HA       HIS  21  -7.708  -2.582   0.579
  160    HB2  HIS  21           HB2      HIS  21  -6.813  -2.164   2.758
  161    HB3  HIS  21           HB1      HIS  21  -6.774  -0.425   2.456
  162    HD1  HIS  21           HD1      HIS  21  -8.878   0.900   3.040
  163    HD2  HIS  21           HD2      HIS  21  -9.382  -3.216   3.356
  164    HE1  HIS  21           HE1      HIS  21 -11.022   0.585   4.234
  165    HE2  HIS  21           HE2      HIS  21 -11.153  -1.889   4.666
  166    H    GLU  22           HN       GLU  22  -6.930   0.859   0.245
  167    HA   GLU  22           HA       GLU  22  -9.552   1.782  -0.240
  168    HB2  GLU  22           HB2      GLU  22  -6.983   2.957  -1.287
  169    HB3  GLU  22           HB1      GLU  22  -8.508   3.803  -1.053
  170    HG2  GLU  22           HG2      GLU  22  -6.647   2.735   1.051
  171    HG3  GLU  22           HG1      GLU  22  -7.060   4.416   0.728
  172    H    LEU  23           HN       LEU  23  -6.936   0.811  -2.334
  173    HA   LEU  23           HA       LEU  23  -8.005   1.299  -4.852
  174    HB2  LEU  23           HB2      LEU  23  -5.657   0.698  -4.336
  175    HB3  LEU  23           HB1      LEU  23  -6.161  -0.910  -3.901
  176    HG   LEU  23           HG       LEU  23  -6.542  -1.477  -6.273
  177   HD11  LEU  23          HD11      LEU  23  -5.805   1.408  -6.807
  178   HD12  LEU  23          HD12      LEU  23  -7.428   0.733  -6.977
  179   HD13  LEU  23          HD13      LEU  23  -6.119   0.164  -8.015
  180   HD21  LEU  23          HD21      LEU  23  -4.003   0.058  -5.847
  181   HD22  LEU  23          HD22      LEU  23  -4.287  -1.178  -7.076
  182   HD23  LEU  23          HD23      LEU  23  -4.296  -1.612  -5.362
  183    H    PHE  24           HN       PHE  24  -8.148  -1.601  -2.865
  184    HA   PHE  24           HA       PHE  24  -9.817  -2.942  -4.707
  185    HB2  PHE  24           HB2      PHE  24  -8.853  -3.664  -1.977
  186    HB3  PHE  24           HB1      PHE  24 -10.003  -4.676  -2.849
  187    HD1  PHE  24           HD1      PHE  24  -9.375  -5.813  -4.834
  188    HD2  PHE  24           HD2      PHE  24  -6.587  -3.433  -2.754
  189    HE1  PHE  24           HE1      PHE  24  -7.569  -6.844  -6.110
  190    HE2  PHE  24           HE2      PHE  24  -4.753  -4.450  -4.021
  191    HZ   PHE  24           HZ       PHE  24  -5.247  -6.168  -5.712
  192    H    GLU  25           HN       GLU  25 -10.600  -1.317  -1.631
  193    HA   GLU  25           HA       GLU  25 -13.315  -2.102  -1.777
  194    HB2  GLU  25           HB2      GLU  25 -12.041   0.154  -0.277
  195    HB3  GLU  25           HB1      GLU  25 -13.788   0.017  -0.366
  196    HG2  GLU  25           HG2      GLU  25 -13.165  -2.476   0.399
  197    HG3  GLU  25           HG1      GLU  25 -11.831  -1.583   1.127
  198    H    GLU  26           HN       GLU  26 -11.664   0.572  -3.239
  199    HA   GLU  26           HA       GLU  26 -14.033   1.894  -4.021
  200    HB2  GLU  26           HB2      GLU  26 -11.848   2.996  -3.911
  201    HB3  GLU  26           HB1      GLU  26 -11.274   1.992  -5.224
  202    HG2  GLU  26           HG2      GLU  26 -12.864   3.015  -6.742
  203    HG3  GLU  26           HG1      GLU  26 -13.502   3.996  -5.423
  204    H    HIS  27           HN       HIS  27 -12.103  -0.639  -5.498
  205    HA   HIS  27           HA       HIS  27 -13.706  -0.427  -7.934
  206    HB2  HIS  27           HB2      HIS  27 -11.242  -2.066  -7.390
  207    HB3  HIS  27           HB1      HIS  27 -12.126  -2.084  -8.910
  208    HD1  HIS  27           HD1      HIS  27  -9.922   0.077  -6.808
  209    HD2  HIS  27           HD2      HIS  27 -11.653   0.110 -10.560
  210    HE1  HIS  27           HE1      HIS  27  -8.889   2.003  -8.002
  211    HE2  HIS  27           HE2      HIS  27  -9.599   1.686 -10.331
  212    H    LYS  28           HN       LYS  28 -13.199  -2.783  -5.353
  213    HA   LYS  28           HA       LYS  28 -13.849  -4.896  -5.033
  214    HB2  LYS  28           HB2      LYS  28 -16.366  -3.974  -6.425
  215    HB3  LYS  28           HB1      LYS  28 -16.195  -5.593  -5.803
  216    HG2  LYS  28           HG2      LYS  28 -17.472  -4.456  -4.212
  217    HG3  LYS  28           HG1      LYS  28 -15.853  -4.507  -3.524
  218    HD2  LYS  28           HD2      LYS  28 -15.467  -2.227  -4.151
  219    HD3  LYS  28           HD1      LYS  28 -16.992  -2.177  -5.040
  220    HE2  LYS  28           HE2      LYS  28 -18.215  -2.563  -2.947
  221    HE3  LYS  28           HE1      LYS  28 -16.690  -2.586  -2.064
  222    HZ1  LYS  28           HZ1      LYS  28 -16.304  -0.321  -2.772
  223    HZ2  LYS  28           HZ2      LYS  28 -17.738  -0.418  -1.905
  224    HZ3  LYS  28           HZ3      LYS  28 -17.782  -0.267  -3.577
  225    H    LYS  29           HN       LYS  29 -12.112  -5.316  -6.506
  226    HA   LYS  29           HA       LYS  29 -13.017  -7.168  -8.486
  227    HB2  LYS  29           HB2      LYS  29 -12.856  -5.063  -9.762
  228    HB3  LYS  29           HB1      LYS  29 -11.232  -4.806  -9.160
  229    HG2  LYS  29           HG2      LYS  29 -11.202  -5.582 -11.448
  230    HG3  LYS  29           HG1      LYS  29 -10.464  -6.783 -10.385
  231    HD2  LYS  29           HD2      LYS  29 -12.625  -8.025 -10.402
  232    HD3  LYS  29           HD1      LYS  29 -13.253  -6.842 -11.538
  233    HE2  LYS  29           HE2      LYS  29 -10.813  -8.541 -12.040
  234    HE3  LYS  29           HE1      LYS  29 -12.435  -8.935 -12.599
  235    HZ1  LYS  29           HZ1      LYS  29 -11.157  -7.867 -14.332
  236    HZ2  LYS  29           HZ2      LYS  29 -10.872  -6.523 -13.379
  237    HZ3  LYS  29           HZ3      LYS  29 -12.449  -6.900 -13.878
  238    HA   PRO  30           HA       PRO  30  -9.335  -8.852  -6.492
  239    HB2  PRO  30           HB2      PRO  30  -9.626 -11.184  -8.326
  240    HB3  PRO  30           HB1      PRO  30  -9.720 -11.080  -6.594
  241    HG2  PRO  30           HG2      PRO  30 -11.895 -11.506  -8.127
  242    HG3  PRO  30           HG1      PRO  30 -11.949 -10.708  -6.546
  243    HD2  PRO  30           HD2      PRO  30 -11.998  -9.523  -9.281
  244    HD3  PRO  30           HD1      PRO  30 -12.935  -9.071  -7.834
  245    H    VAL  31           HN       VAL  31  -7.361  -8.270  -7.055
  246    HA   VAL  31           HA       VAL  31  -6.708  -7.998  -9.899
  247    HB   VAL  31           HB       VAL  31  -6.081  -6.008  -7.675
  248   HG11  VAL  31          HG11      VAL  31  -5.063  -4.594  -9.386
  249   HG12  VAL  31          HG12      VAL  31  -5.308  -5.864 -10.585
  250   HG13  VAL  31          HG13      VAL  31  -4.214  -6.132  -9.224
  251   HG21  VAL  31          HG21      VAL  31  -7.444  -4.432  -8.966
  252   HG22  VAL  31          HG22      VAL  31  -8.378  -5.837  -8.453
  253   HG23  VAL  31          HG23      VAL  31  -7.820  -5.710 -10.121
  254    HA   PRO  32           HA       PRO  32  -3.171 -10.508  -8.812
  255    HB2  PRO  32           HB2      PRO  32  -1.872  -8.927 -10.984
  256    HB3  PRO  32           HB1      PRO  32  -1.955 -10.679 -10.771
  257    HG2  PRO  32           HG2      PRO  32  -3.471  -9.514 -12.587
  258    HG3  PRO  32           HG1      PRO  32  -4.127 -10.812 -11.572
  259    HD2  PRO  32           HD2      PRO  32  -4.539  -7.860 -11.364
  260    HD3  PRO  32           HD1      PRO  32  -5.692  -9.197 -11.144
  261    H    PHE  33           HN       PHE  33  -1.315 -10.308  -7.664
  262    HA   PHE  33           HA       PHE  33  -0.975  -8.243  -5.900
  263    HB2  PHE  33           HB2      PHE  33  -0.137 -10.526  -5.590
  264    HB3  PHE  33           HB1      PHE  33   1.099 -10.234  -6.816
  265    HD1  PHE  33           HD2      PHE  33  -0.031  -9.482  -3.413
  266    HD2  PHE  33           HD1      PHE  33   3.086  -9.035  -6.253
  267    HE1  PHE  33           HE2      PHE  33   1.484  -8.748  -1.630
  268    HE2  PHE  33           HE1      PHE  33   4.604  -8.312  -4.478
  269    HZ   PHE  33           HZ       PHE  33   3.805  -8.163  -2.160
  270    H    GLN  34           HN       GLN  34   0.824  -8.778  -8.888
  271    HA   GLN  34           HA       GLN  34   2.733  -6.717  -8.387
  272    HB2  GLN  34           HB2      GLN  34   2.666  -8.853 -10.024
  273    HB3  GLN  34           HB1      GLN  34   2.156  -7.623 -11.162
  274    HG2  GLN  34           HG2      GLN  34   4.750  -7.708  -9.623
  275    HG3  GLN  34           HG1      GLN  34   4.534  -8.063 -11.330
  276   HE21  GLN  34          HE21      GLN  34   4.946  -5.644  -8.953
  277   HE22  GLN  34          HE22      GLN  34   4.985  -4.288 -10.019
  278    H    GLU  35           HN       GLU  35  -0.494  -6.794  -9.772
  279    HA   GLU  35           HA       GLU  35  -0.122  -4.490 -11.449
  280    HB2  GLU  35           HB2      GLU  35  -2.596  -6.013 -10.663
  281    HB3  GLU  35           HB1      GLU  35  -2.480  -4.741 -11.880
  282    HG2  GLU  35           HG2      GLU  35  -0.935  -7.306 -12.018
  283    HG3  GLU  35           HG1      GLU  35  -2.511  -7.069 -12.779
  284    H    LEU  36           HN       LEU  36  -1.688  -5.377  -8.442
  285    HA   LEU  36           HA       LEU  36  -2.946  -2.920  -8.011
  286    HB2  LEU  36           HB2      LEU  36  -3.336  -3.671  -5.732
  287    HB3  LEU  36           HB1      LEU  36  -3.601  -4.986  -6.844
  288    HG   LEU  36           HG       LEU  36  -1.112  -5.606  -6.143
  289   HD11  LEU  36          HD11      LEU  36  -0.749  -3.677  -4.736
  290   HD12  LEU  36          HD12      LEU  36  -0.685  -5.171  -3.798
  291   HD13  LEU  36          HD13      LEU  36  -2.113  -4.141  -3.718
  292   HD21  LEU  36          HD21      LEU  36  -3.027  -7.075  -5.875
  293   HD22  LEU  36          HD22      LEU  36  -3.527  -6.185  -4.435
  294   HD23  LEU  36          HD23      LEU  36  -2.021  -7.096  -4.424
  295    H    LEU  37           HN       LEU  37   0.251  -4.074  -7.263
  296    HA   LEU  37           HA       LEU  37   1.031  -1.902  -5.626
  297    HB2  LEU  37           HB2      LEU  37   2.541  -3.991  -7.123
  298    HB3  LEU  37           HB1      LEU  37   3.329  -2.769  -6.139
  299    HG   LEU  37           HG       LEU  37   1.243  -4.626  -5.022
  300   HD11  LEU  37          HD11      LEU  37   4.220  -4.890  -5.115
  301   HD12  LEU  37          HD12      LEU  37   3.058  -5.941  -5.924
  302   HD13  LEU  37          HD13      LEU  37   3.144  -5.907  -4.158
  303   HD21  LEU  37          HD21      LEU  37   1.679  -2.583  -3.757
  304   HD22  LEU  37          HD22      LEU  37   3.405  -2.916  -3.806
  305   HD23  LEU  37          HD23      LEU  37   2.327  -3.991  -2.910
  306    H    ASN  38           HN       ASN  38   1.225  -2.548  -9.055
  307    HA   ASN  38           HA       ASN  38   2.952  -0.396  -9.629
  308    HB2  ASN  38           HB2      ASN  38   0.959  -1.823 -11.389
  309    HB3  ASN  38           HB1      ASN  38   2.052  -0.611 -12.016
  310   HD21  ASN  38          HD21      ASN  38   1.941  -3.221 -12.887
  311   HD22  ASN  38          HD22      ASN  38   3.384  -4.058 -12.467
  312    H    GLU  39           HN       GLU  39  -0.551  -0.691  -9.607
  313    HA   GLU  39           HA       GLU  39  -1.006   1.996 -10.340
  314    HB2  GLU  39           HB2      GLU  39  -2.822   0.086  -8.860
  315    HB3  GLU  39           HB1      GLU  39  -3.322   1.612  -9.577
  316    HG2  GLU  39           HG2      GLU  39  -2.228  -0.770 -11.067
  317    HG3  GLU  39           HG1      GLU  39  -3.915  -0.268 -11.005
  318    H    ILE  40           HN       ILE  40  -0.632   0.369  -7.232
  319    HA   ILE  40           HA       ILE  40  -1.178   2.528  -5.561
  320    HB   ILE  40           HB       ILE  40   0.761   0.231  -5.196
  321   HG12  ILE  40          HG12      ILE  40  -1.887   0.868  -3.883
  322   HG13  ILE  40          HG11      ILE  40  -1.632  -0.302  -5.173
  323   HG21  ILE  40          HG21      ILE  40   0.983   0.852  -2.820
  324   HG22  ILE  40          HG22      ILE  40   0.102   2.345  -3.140
  325   HG23  ILE  40          HG23      ILE  40   1.670   2.072  -3.893
  326   HD11  ILE  40          HD11      ILE  40  -1.841  -1.384  -3.034
  327   HD12  ILE  40          HD12      ILE  40  -0.486  -0.446  -2.394
  328   HD13  ILE  40          HD13      ILE  40  -0.221  -1.623  -3.685
  329    H    ALA  41           HN       ALA  41   1.894   1.617  -7.062
  330    HA   ALA  41           HA       ALA  41   3.401   3.742  -6.030
  331    HB1  ALA  41           HB1      ALA  41   5.039   3.244  -7.752
  332    HB2  ALA  41           HB2      ALA  41   3.853   2.236  -8.604
  333    HB3  ALA  41           HB3      ALA  41   4.424   1.784  -6.990
  334    H    SER  42           HN       SER  42   1.278   3.637  -8.776
  335    HA   SER  42           HA       SER  42   2.115   6.145  -9.751
  336    HB2  SER  42           HB2      SER  42  -0.428   4.596 -10.247
  337    HB3  SER  42           HB1      SER  42   0.086   6.014 -11.168
  338    HG   SER  42           HG       SER  42   2.026   4.849 -11.610
  339    H    LEU  43           HN       LEU  43  -0.663   5.177  -7.711
  340    HA   LEU  43           HA       LEU  43  -1.592   7.864  -7.344
  341    HB2  LEU  43           HB2      LEU  43  -2.208   5.287  -5.917
  342    HB3  LEU  43           HB1      LEU  43  -2.775   6.801  -5.264
  343    HG   LEU  43           HG       LEU  43  -4.552   5.726  -6.462
  344   HD11  LEU  43          HD11      LEU  43  -5.176   7.445  -8.052
  345   HD12  LEU  43          HD12      LEU  43  -3.540   8.093  -8.002
  346   HD13  LEU  43          HD13      LEU  43  -4.545   8.115  -6.550
  347   HD21  LEU  43          HD21      LEU  43  -4.472   5.293  -8.876
  348   HD22  LEU  43          HD22      LEU  43  -3.279   4.332  -8.003
  349   HD23  LEU  43          HD23      LEU  43  -2.772   5.761  -8.899
  350    H    LEU  44           HN       LEU  44   0.232   5.686  -5.308
  351    HA   LEU  44           HA       LEU  44   0.900   7.679  -3.348
  352    HB2  LEU  44           HB2      LEU  44   0.680   5.445  -2.560
  353    HB3  LEU  44           HB1      LEU  44   1.622   4.802  -3.885
  354    HG   LEU  44           HG       LEU  44   3.613   5.944  -2.883
  355   HD11  LEU  44          HD11      LEU  44   2.523   7.557  -1.485
  356   HD12  LEU  44          HD12      LEU  44   3.560   6.503  -0.525
  357   HD13  LEU  44          HD13      LEU  44   1.813   6.268  -0.508
  358   HD21  LEU  44          HD21      LEU  44   3.960   4.189  -1.194
  359   HD22  LEU  44          HD22      LEU  44   3.304   3.581  -2.711
  360   HD23  LEU  44          HD23      LEU  44   2.245   3.771  -1.312
  361    H    GLY  45           HN       GLY  45   2.112   9.222  -4.245
  362    HA2  GLY  45           HA2      GLY  45   3.924   8.912  -6.382
  363    HA3  GLY  45           HA1      GLY  45   3.924  10.267  -5.261
  364    H    VAL  46           HN       VAL  46   5.301   7.233  -6.075
  365    HA   VAL  46           HA       VAL  46   7.616   7.807  -4.416
  366    HB   VAL  46           HB       VAL  46   7.825   5.351  -3.857
  367   HG11  VAL  46          HG11      VAL  46   6.232   5.353  -1.975
  368   HG12  VAL  46          HG12      VAL  46   5.466   6.792  -2.661
  369   HG13  VAL  46          HG13      VAL  46   7.137   6.857  -2.121
  370   HG21  VAL  46          HG21      VAL  46   4.946   5.257  -4.772
  371   HG22  VAL  46          HG22      VAL  46   5.768   3.968  -3.896
  372   HG23  VAL  46          HG23      VAL  46   6.312   4.427  -5.513
  373    H    LYS  47           HN       LYS  47   9.257   5.923  -5.055
  374    HA   LYS  47           HA       LYS  47   9.287   5.778  -7.978
  375    HB2  LYS  47           HB2      LYS  47  11.191   6.620  -6.217
  376    HB3  LYS  47           HB1      LYS  47  11.570   4.913  -6.280
  377    HG2  LYS  47           HG2      LYS  47  11.513   6.790  -8.634
  378    HG3  LYS  47           HG1      LYS  47  12.955   6.256  -7.788
  379    HD2  LYS  47           HD2      LYS  47  12.477   3.949  -8.476
  380    HD3  LYS  47           HD1      LYS  47  11.033   4.506  -9.324
  381    HE2  LYS  47           HE2      LYS  47  12.459   5.990 -10.685
  382    HE3  LYS  47           HE1      LYS  47  13.873   5.310  -9.881
  383    HZ1  LYS  47           HZ1      LYS  47  13.530   4.249 -11.980
  384    HZ2  LYS  47           HZ2      LYS  47  11.956   3.832 -11.595
  385    HZ3  LYS  47           HZ3      LYS  47  13.258   3.136 -10.753
  386    H    LYS  48           HN       LYS  48   9.378   3.650  -8.883
  387    HA   LYS  48           HA       LYS  48   7.931   1.731  -7.493
  388    HB2  LYS  48           HB2      LYS  48   8.011   1.814  -9.952
  389    HB3  LYS  48           HB1      LYS  48   9.668   1.224  -9.908
  390    HG2  LYS  48           HG2      LYS  48   8.495  -0.727 -10.305
  391    HG3  LYS  48           HG1      LYS  48   8.685  -0.732  -8.552
  392    HD2  LYS  48           HD2      LYS  48   6.412  -1.336  -8.865
  393    HD3  LYS  48           HD1      LYS  48   6.345   0.374  -8.501
  394    HE2  LYS  48           HE2      LYS  48   4.901  -0.232 -10.435
  395    HE3  LYS  48           HE1      LYS  48   6.168   0.922 -10.892
  396    HZ1  LYS  48           HZ1      LYS  48   6.163  -2.019 -11.345
  397    HZ2  LYS  48           HZ2      LYS  48   7.414  -0.998 -11.794
  398    HZ3  LYS  48           HZ3      LYS  48   5.916  -0.841 -12.515
  399    H    GLU  49           HN       GLU  49  11.461   1.688  -8.142
  400    HA   GLU  49           HA       GLU  49  11.876  -0.829  -7.047
  401    HB2  GLU  49           HB2      GLU  49  13.885   1.415  -7.217
  402    HB3  GLU  49           HB1      GLU  49  14.279  -0.227  -6.748
  403    HG2  GLU  49           HG2      GLU  49  14.870  -0.109  -8.989
  404    HG3  GLU  49           HG1      GLU  49  13.302  -0.904  -9.009
  405    H    GLU  50           HN       GLU  50  12.039   2.264  -5.303
  406    HA   GLU  50           HA       GLU  50  12.870   1.069  -2.882
  407    HB2  GLU  50           HB2      GLU  50  12.210   3.150  -1.776
  408    HB3  GLU  50           HB1      GLU  50  13.069   3.502  -3.262
  409    HG2  GLU  50           HG2      GLU  50  10.837   3.853  -4.353
  410    HG3  GLU  50           HG1      GLU  50  10.117   3.687  -2.761
  411    H    LEU  51           HN       LEU  51   9.708   1.663  -4.282
  412    HA   LEU  51           HA       LEU  51   8.287   0.754  -1.996
  413    HB2  LEU  51           HB2      LEU  51   7.283   2.213  -3.767
  414    HB3  LEU  51           HB1      LEU  51   7.348   0.849  -4.863
  415    HG   LEU  51           HG       LEU  51   5.851  -0.394  -3.278
  416   HD11  LEU  51          HD11      LEU  51   6.244   0.854  -1.264
  417   HD12  LEU  51          HD12      LEU  51   4.532   0.917  -1.687
  418   HD13  LEU  51          HD13      LEU  51   5.569   2.307  -1.998
  419   HD21  LEU  51          HD21      LEU  51   4.970   0.596  -5.304
  420   HD22  LEU  51          HD22      LEU  51   4.760   2.144  -4.487
  421   HD23  LEU  51          HD23      LEU  51   3.803   0.748  -3.995
  422    H    GLY  52           HN       GLY  52   9.893  -0.711  -4.638
  423    HA2  GLY  52           HA2      GLY  52   8.696  -3.270  -4.622
  424    HA3  GLY  52           HA1      GLY  52  10.306  -2.899  -5.236
  425    H    ASP  53           HN       ASP  53  11.361  -1.892  -2.907
  426    HA   ASP  53           HA       ASP  53  12.119  -4.212  -1.484
  427    HB2  ASP  53           HB2      ASP  53  13.575  -2.284  -1.577
  428    HB3  ASP  53           HB1      ASP  53  12.342  -1.280  -0.818
  429    H    ARG  54           HN       ARG  54   9.882  -1.608  -0.893
  430    HA   ARG  54           HA       ARG  54   8.959  -2.706   1.528
  431    HB2  ARG  54           HB2      ARG  54   8.729  -0.245   0.863
  432    HB3  ARG  54           HB1      ARG  54   7.369  -0.754  -0.135
  433    HG2  ARG  54           HG2      ARG  54   6.231  -1.651   1.815
  434    HG3  ARG  54           HG1      ARG  54   7.594  -1.208   2.830
  435    HD2  ARG  54           HD2      ARG  54   7.188   1.168   2.237
  436    HD3  ARG  54           HD1      ARG  54   5.767   0.650   1.340
  437    HE   ARG  54           HE       ARG  54   5.438  -0.469   3.808
  438   HH11  ARG  54          HH11      ARG  54   5.835   2.859   2.674
  439   HH12  ARG  54          HH12      ARG  54   4.896   3.534   3.910
  440   HH21  ARG  54          HH21      ARG  54   4.134   0.484   5.545
  441   HH22  ARG  54          HH22      ARG  54   3.927   2.159   5.596
  442    H    ILE  55           HN       ILE  55   8.411  -3.566  -1.704
  443    HA   ILE  55           HA       ILE  55   5.863  -4.766  -1.408
  444    HB   ILE  55           HB       ILE  55   8.086  -5.259  -3.420
  445   HG12  ILE  55          HG12      ILE  55   5.354  -3.997  -3.713
  446   HG13  ILE  55          HG11      ILE  55   6.875  -3.140  -3.652
  447   HG21  ILE  55          HG21      ILE  55   5.388  -6.591  -3.402
  448   HG22  ILE  55          HG22      ILE  55   6.950  -7.377  -3.168
  449   HG23  ILE  55          HG23      ILE  55   6.549  -6.657  -4.729
  450   HD11  ILE  55          HD11      ILE  55   7.549  -4.180  -5.794
  451   HD12  ILE  55          HD12      ILE  55   6.031  -3.307  -5.950
  452   HD13  ILE  55          HD13      ILE  55   6.035  -5.063  -5.827
  453    H    ALA  56           HN       ALA  56   9.177  -5.905  -0.998
  454    HA   ALA  56           HA       ALA  56   8.556  -8.558  -0.271
  455    HB1  ALA  56           HB1      ALA  56  10.797  -6.813   0.776
  456    HB2  ALA  56           HB2      ALA  56  10.862  -7.809  -0.677
  457    HB3  ALA  56           HB3      ALA  56  10.727  -8.568   0.910
  458    H    GLN  57           HN       GLN  57   9.059  -5.693   1.693
  459    HA   GLN  57           HA       GLN  57   8.222  -6.592   4.190
  460    HB2  GLN  57           HB2      GLN  57   9.374  -4.399   3.646
  461    HB3  GLN  57           HB1      GLN  57   7.845  -3.809   3.038
  462    HG2  GLN  57           HG2      GLN  57   8.163  -4.721   5.883
  463    HG3  GLN  57           HG1      GLN  57   8.584  -3.093   5.381
  464   HE21  GLN  57          HE21      GLN  57   6.583  -4.073   7.250
  465   HE22  GLN  57          HE22      GLN  57   5.068  -3.457   6.732
  466    H    PHE  58           HN       PHE  58   6.409  -5.638   1.418
  467    HA   PHE  58           HA       PHE  58   3.897  -5.347   2.649
  468    HB2  PHE  58           HB2      PHE  58   4.423  -4.278   0.509
  469    HB3  PHE  58           HB1      PHE  58   4.542  -5.857  -0.245
  470    HD1  PHE  58           HD1      PHE  58   2.011  -4.267   1.996
  471    HD2  PHE  58           HD2      PHE  58   2.822  -6.183  -1.703
  472    HE1  PHE  58           HE1      PHE  58  -0.356  -4.141   1.419
  473    HE2  PHE  58           HE2      PHE  58   0.447  -6.063  -2.291
  474    HZ   PHE  58           HZ       PHE  58  -1.155  -5.036  -0.734
  475    H    TYR  59           HN       TYR  59   5.524  -8.134   1.150
  476    HA   TYR  59           HA       TYR  59   3.248  -9.830   1.277
  477    HB2  TYR  59           HB2      TYR  59   6.168 -10.550   1.643
  478    HB3  TYR  59           HB1      TYR  59   4.877 -11.736   1.582
  479    HD1  TYR  59           HD1      TYR  59   3.692 -12.151  -0.545
  480    HD2  TYR  59           HD2      TYR  59   6.978  -9.521  -0.286
  481    HE1  TYR  59           HE1      TYR  59   3.969 -12.284  -2.988
  482    HE2  TYR  59           HE2      TYR  59   7.283  -9.621  -2.726
  483    HH   TYR  59           HH       TYR  59   6.767 -11.076  -4.499
  484    H    THR  60           HN       THR  60   5.732  -8.973   3.596
  485    HA   THR  60           HA       THR  60   4.843 -10.507   5.758
  486    HB   THR  60           HB       THR  60   6.071  -7.752   5.796
  487    HG1  THR  60           HG1      THR  60   7.995  -8.734   5.526
  488   HG21  THR  60          HG21      THR  60   7.053  -8.473   7.917
  489   HG22  THR  60          HG22      THR  60   6.242 -10.036   7.777
  490   HG23  THR  60          HG23      THR  60   5.293  -8.560   7.987
  491    H    ASP  61           HN       ASP  61   4.113  -7.131   4.944
  492    HA   ASP  61           HA       ASP  61   2.390  -6.565   7.119
  493    HB2  ASP  61           HB2      ASP  61   3.704  -4.874   5.935
  494    HB3  ASP  61           HB1      ASP  61   2.786  -5.161   4.473
  495    H    LEU  62           HN       LEU  62   1.774  -7.667   3.884
  496    HA   LEU  62           HA       LEU  62  -1.034  -7.195   3.777
  497    HB2  LEU  62           HB2      LEU  62   0.548  -7.417   1.832
  498    HB3  LEU  62           HB1      LEU  62   0.655  -9.094   2.215
  499    HG   LEU  62           HG       LEU  62  -1.671  -9.453   1.657
  500   HD11  LEU  62          HD11      LEU  62  -2.962  -7.644   0.633
  501   HD12  LEU  62          HD12      LEU  62  -1.666  -6.508   1.013
  502   HD13  LEU  62          HD13      LEU  62  -2.571  -7.293   2.310
  503   HD21  LEU  62          HD21      LEU  62  -0.163  -7.908  -0.429
  504   HD22  LEU  62          HD22      LEU  62  -1.491  -9.036  -0.722
  505   HD23  LEU  62          HD23      LEU  62   0.037  -9.622  -0.061
  506    H    ASN  63           HN       ASN  63   0.960 -10.087   4.298
  507    HA   ASN  63           HA       ASN  63  -1.331 -11.743   4.299
  508    HB2  ASN  63           HB2      ASN  63   1.529 -12.392   5.009
  509    HB3  ASN  63           HB1      ASN  63   0.239 -13.588   4.943
  510   HD21  ASN  63          HD21      ASN  63   1.074 -14.718   3.284
  511   HD22  ASN  63          HD22      ASN  63   1.227 -14.156   1.654
  512    H    ILE  64           HN       ILE  64   0.228 -10.007   6.778
  513    HA   ILE  64           HA       ILE  64  -1.123 -11.564   8.853
  514    HB   ILE  64           HB       ILE  64  -0.109 -10.014  10.476
  515   HG12  ILE  64          HG12      ILE  64   1.151  -8.687   8.056
  516   HG13  ILE  64          HG11      ILE  64  -0.086  -7.979   9.085
  517   HG21  ILE  64          HG21      ILE  64   2.228 -10.673  10.147
  518   HG22  ILE  64          HG22      ILE  64   1.843 -11.146   8.492
  519   HG23  ILE  64          HG23      ILE  64   1.105 -12.001   9.847
  520   HD11  ILE  64          HD11      ILE  64   1.485  -8.007  10.963
  521   HD12  ILE  64          HD12      ILE  64   2.095  -7.069   9.600
  522   HD13  ILE  64          HD13      ILE  64   2.720  -8.691   9.908
  523    H    ASP  65           HN       ASP  65  -1.983  -9.291   6.730
  524    HA   ASP  65           HA       ASP  65  -3.532  -7.557   8.428
  525    HB2  ASP  65           HB2      ASP  65  -2.465  -6.582   6.506
  526    HB3  ASP  65           HB1      ASP  65  -3.158  -7.793   5.442
  527    H    GLY  66           HN       GLY  66  -5.751  -7.600   8.630
  528    HA2  GLY  66           HA2      GLY  66  -7.008 -10.106   7.753
  529    HA3  GLY  66           HA1      GLY  66  -7.505  -9.119   9.145
  530    H    ARG  67           HN       ARG  67  -6.786  -7.305   6.382
  531    HA   ARG  67           HA       ARG  67  -9.641  -6.818   5.898
  532    HB2  ARG  67           HB2      ARG  67  -7.192  -5.431   4.789
  533    HB3  ARG  67           HB1      ARG  67  -8.852  -4.878   4.672
  534    HG2  ARG  67           HG2      ARG  67  -8.921  -4.294   6.952
  535    HG3  ARG  67           HG1      ARG  67  -7.435  -5.187   7.300
  536    HD2  ARG  67           HD2      ARG  67  -6.171  -3.656   5.895
  537    HD3  ARG  67           HD1      ARG  67  -7.644  -2.778   5.508
  538    HE   ARG  67           HE       ARG  67  -7.779  -2.205   7.854
  539   HH11  ARG  67          HH11      ARG  67  -4.622  -3.436   6.835
  540   HH12  ARG  67          HH12      ARG  67  -3.708  -2.332   7.750
  541   HH21  ARG  67          HH21      ARG  67  -6.529  -0.689   9.163
  542   HH22  ARG  67          HH22      ARG  67  -4.844  -0.734   9.155
  543    H    PHE  68           HN       PHE  68  -6.600  -7.716   4.480
  544    HA   PHE  68           HA       PHE  68  -7.699  -8.301   1.907
  545    HB2  PHE  68           HB2      PHE  68  -5.026  -8.116   3.065
  546    HB3  PHE  68           HB1      PHE  68  -5.217  -9.287   1.760
  547    HD1  PHE  68           HD1      PHE  68  -5.544  -5.732   2.666
  548    HD2  PHE  68           HD2      PHE  68  -5.566  -8.641  -0.424
  549    HE1  PHE  68           HE1      PHE  68  -5.460  -3.950   0.972
  550    HE2  PHE  68           HE2      PHE  68  -5.481  -6.883  -2.106
  551    HZ   PHE  68           HZ       PHE  68  -5.436  -4.568  -1.442
  552    H    LEU  69           HN       LEU  69  -7.052 -10.260   0.804
  553    HA   LEU  69           HA       LEU  69  -6.914 -12.719   2.273
  554    HB2  LEU  69           HB2      LEU  69  -9.240 -12.418   2.424
  555    HB3  LEU  69           HB1      LEU  69  -9.369 -11.804   0.792
  556    HG   LEU  69           HG       LEU  69  -8.733 -14.115   0.003
  557   HD11  LEU  69          HD11      LEU  69  -7.716 -14.959   2.015
  558   HD12  LEU  69          HD12      LEU  69  -9.079 -15.970   1.536
  559   HD13  LEU  69          HD13      LEU  69  -9.252 -14.832   2.872
  560   HD21  LEU  69          HD21      LEU  69 -10.963 -15.009   0.353
  561   HD22  LEU  69          HD22      LEU  69 -10.989 -13.297  -0.071
  562   HD23  LEU  69          HD23      LEU  69 -11.245 -13.800   1.601
  563    H    ALA  70           HN       ALA  70  -5.890 -14.189   0.993
  564    HA   ALA  70           HA       ALA  70  -5.298 -13.513  -1.756
  565    HB1  ALA  70           HB1      ALA  70  -3.495 -14.546  -0.443
  566    HB2  ALA  70           HB2      ALA  70  -4.013 -15.647  -1.732
  567    HB3  ALA  70           HB3      ALA  70  -4.540 -15.926  -0.084
  568    H    LEU  71           HN       LEU  71  -6.865 -13.867  -3.110
  569    HA   LEU  71           HA       LEU  71  -8.945 -15.712  -2.627
  570    HB2  LEU  71           HB2      LEU  71  -8.212 -13.962  -4.967
  571    HB3  LEU  71           HB1      LEU  71  -9.660 -14.963  -4.915
  572    HG   LEU  71           HG       LEU  71  -9.107 -12.971  -2.741
  573   HD11  LEU  71          HD11      LEU  71  -8.956 -11.771  -4.853
  574   HD12  LEU  71          HD12      LEU  71 -10.457 -11.387  -4.000
  575   HD13  LEU  71          HD13      LEU  71 -10.477 -12.501  -5.371
  576   HD21  LEU  71          HD21      LEU  71 -10.864 -14.673  -2.483
  577   HD22  LEU  71          HD22      LEU  71 -11.575 -14.048  -3.993
  578   HD23  LEU  71          HD23      LEU  71 -11.484 -13.014  -2.569
  579    H    SER  72           HN       SER  72  -9.437 -16.785  -5.161
  580    HA   SER  72           HA       SER  72  -8.712 -19.306  -4.931
  581    HB2  SER  72           HB2      SER  72  -8.971 -18.019  -7.619
  582    HB3  SER  72           HB1      SER  72  -9.610 -19.560  -7.051
  583    HG   SER  72           HG       SER  72 -11.168 -18.582  -5.950
  584    H    ASP  73           HN       ASP  73  -6.866 -16.994  -6.967
  585    HA   ASP  73           HA       ASP  73  -4.729 -19.028  -7.074
  586    HB2  ASP  73           HB2      ASP  73  -5.558 -17.036  -9.170
  587    HB3  ASP  73           HB1      ASP  73  -3.998 -17.846  -9.204
  588    H    GLN  74           HN       GLN  74  -5.091 -17.110  -5.058
  589    HA   GLN  74           HA       GLN  74  -3.898 -15.806  -3.734
  590    HB2  GLN  74           HB2      GLN  74  -1.581 -16.508  -5.547
  591    HB3  GLN  74           HB1      GLN  74  -1.392 -15.380  -4.220
  592    HG2  GLN  74           HG2      GLN  74  -0.631 -17.513  -3.474
  593    HG3  GLN  74           HG1      GLN  74  -2.155 -17.177  -2.660
  594   HE21  GLN  74          HE21      GLN  74  -1.739 -18.265  -5.944
  595   HE22  GLN  74          HE22      GLN  74  -2.549 -19.773  -5.755
  596    H    THR  75           HN       THR  75  -4.939 -15.066  -6.453
  597    HA   THR  75           HA       THR  75  -4.105 -12.430  -6.968
  598    HB   THR  75           HB       THR  75  -6.903 -13.583  -7.139
  599    HG1  THR  75           HG1      THR  75  -4.611 -13.898  -8.785
  600   HG21  THR  75          HG21      THR  75  -7.123 -12.076  -9.067
  601   HG22  THR  75          HG22      THR  75  -5.475 -11.498  -8.800
  602   HG23  THR  75          HG23      THR  75  -6.731 -11.180  -7.600
  603    H    TRP  76           HN       TRP  76  -4.748 -10.470  -5.839
  604    HA   TRP  76           HA       TRP  76  -5.721 -11.202  -3.238
  605    HB2  TRP  76           HB2      TRP  76  -4.106  -8.828  -4.123
  606    HB3  TRP  76           HB1      TRP  76  -4.775  -9.008  -2.501
  607    HD1  TRP  76           HD1      TRP  76  -2.066 -10.381  -4.778
  608    HE1  TRP  76           HE1      TRP  76  -0.472 -11.863  -3.402
  609    HE3  TRP  76           HE3      TRP  76  -4.657 -10.498  -0.381
  610    HZ2  TRP  76           HZ2      TRP  76  -0.325 -12.933  -0.796
  611    HZ3  TRP  76           HZ3      TRP  76  -3.724 -11.768   1.504
  612    HH2  TRP  76           HH2      TRP  76  -1.605 -12.956   1.303
  613    H    GLY  77           HN       GLY  77  -7.170 -10.123  -2.156
  614    HA2  GLY  77           HA2      GLY  77  -8.648  -8.007  -3.292
  615    HA3  GLY  77           HA1      GLY  77  -9.518  -9.546  -3.279
  616    H    LEU  78           HN       LEU  78 -10.917  -8.506  -1.773
  617    HA   LEU  78           HA       LEU  78  -9.646  -8.151   0.831
  618    HB2  LEU  78           HB2      LEU  78 -12.064  -6.760  -0.251
  619    HB3  LEU  78           HB1      LEU  78 -11.529  -6.662   1.411
  620    HG   LEU  78           HG       LEU  78  -9.978  -5.703  -0.992
  621   HD11  LEU  78          HD11      LEU  78 -11.934  -4.353  -0.516
  622   HD12  LEU  78          HD12      LEU  78 -10.454  -3.489  -0.094
  623   HD13  LEU  78          HD13      LEU  78 -11.442  -4.219   1.171
  624   HD21  LEU  78          HD21      LEU  78  -9.394  -5.488   1.961
  625   HD22  LEU  78          HD22      LEU  78  -8.506  -4.671   0.678
  626   HD23  LEU  78          HD23      LEU  78  -8.479  -6.427   0.777
  627    H    ARG  79           HN       ARG  79 -10.328  -9.061   2.494
  628    HA   ARG  79           HA       ARG  79 -12.149 -11.251   2.472
  629    HB2  ARG  79           HB2      ARG  79 -10.123 -11.197   3.834
  630    HB3  ARG  79           HB1      ARG  79 -10.641  -9.710   4.587
  631    HG2  ARG  79           HG2      ARG  79 -12.514 -10.975   5.627
  632    HG3  ARG  79           HG1      ARG  79 -11.797 -12.457   4.973
  633    HD2  ARG  79           HD2      ARG  79  -9.780 -12.098   6.163
  634    HD3  ARG  79           HD1      ARG  79 -10.285 -10.494   6.674
  635    HE   ARG  79           HE       ARG  79 -11.391 -13.050   7.611
  636   HH11  ARG  79          HH11      ARG  79 -10.769  -9.582   8.156
  637   HH12  ARG  79          HH12      ARG  79 -11.316  -9.608   9.762
  638   HH21  ARG  79          HH21      ARG  79 -12.115 -13.069   9.832
  639   HH22  ARG  79          HH22      ARG  79 -12.048 -11.642  10.759
  640    H    SER  80           HN       SER  80 -12.240  -7.884   2.886
  641    HA   SER  80           HA       SER  80 -14.445  -7.567   4.611
  642    HB2  SER  80           HB2      SER  80 -13.389  -5.638   2.565
  643    HB3  SER  80           HB1      SER  80 -14.216  -5.274   4.084
  644    HG   SER  80           HG       SER  80 -12.339  -6.591   4.985
  645    H    TRP  81           HN       TRP  81 -14.196  -8.271   1.187
  646    HA   TRP  81           HA       TRP  81 -16.768  -7.130   0.473
  647    HB2  TRP  81           HB2      TRP  81 -15.115  -9.181  -1.002
  648    HB3  TRP  81           HB1      TRP  81 -16.523  -8.355  -1.634
  649    HD1  TRP  81           HD1      TRP  81 -15.592  -5.365  -0.756
  650    HE1  TRP  81           HE1      TRP  81 -13.720  -4.277  -2.159
  651    HE3  TRP  81           HE3      TRP  81 -13.483  -9.613  -2.766
  652    HZ2  TRP  81           HZ2      TRP  81 -11.677  -5.102  -3.893
  653    HZ3  TRP  81           HZ3      TRP  81 -11.607  -9.340  -4.296
  654    HH2  TRP  81           HH2      TRP  81 -10.719  -7.136  -4.840
  655    H    TYR  82           HN       TYR  82 -15.435 -10.330   0.738
  656    HA   TYR  82           HA       TYR  82 -18.060 -11.568   0.589
  657    HB2  TYR  82           HB2      TYR  82 -15.377 -12.893   0.786
  658    HB3  TYR  82           HB1      TYR  82 -16.850 -13.543   0.104
  659    HD1  TYR  82           HD2      TYR  82 -17.683 -12.270  -2.103
  660    HD2  TYR  82           HD1      TYR  82 -13.713 -12.140  -0.603
  661    HE1  TYR  82           HE2      TYR  82 -16.850 -11.713  -4.346
  662    HE2  TYR  82           HE1      TYR  82 -12.879 -11.587  -2.820
  663    HH   TYR  82           HH       TYR  82 -14.850 -10.583  -5.348
  Start of MODEL    6
    1    H1   GLY   2           HT1      GLY   2 -10.610   5.924  -0.604
    2    H2   GLY   2           HT2      GLY   2 -10.784   7.078  -1.849
    3    H3   GLY   2           HT3      GLY   2 -12.037   6.820  -0.735
    4    HA2  GLY   2           HA1      GLY   2 -10.919   8.799  -0.118
    5    HA3  GLY   2           HA2      GLY   2 -10.570   7.503   1.026
    6    H    ILE   3           HN       ILE   3  -8.692   6.046  -0.377
    7    HA   ILE   3           HA       ILE   3  -6.455   7.499   0.441
    8    HB   ILE   3           HB       ILE   3  -6.741   4.964   0.369
    9   HG12  ILE   3          HG12      ILE   3  -4.284   4.591  -0.090
   10   HG13  ILE   3          HG11      ILE   3  -4.204   6.295  -0.522
   11   HG21  ILE   3          HG21      ILE   3  -7.361   4.715  -1.941
   12   HG22  ILE   3          HG22      ILE   3  -5.896   3.788  -1.603
   13   HG23  ILE   3          HG23      ILE   3  -5.793   5.328  -2.466
   14   HD11  ILE   3          HD11      ILE   3  -3.503   5.938   1.782
   15   HD12  ILE   3          HD12      ILE   3  -5.062   5.191   2.136
   16   HD13  ILE   3          HD13      ILE   3  -4.982   6.900   1.727
   17    H    LYS   4           HN       LYS   4  -8.014   7.309  -2.610
   18    HA   LYS   4           HA       LYS   4  -5.805   7.727  -4.311
   19    HB2  LYS   4           HB2      LYS   4  -7.922   6.713  -5.045
   20    HB3  LYS   4           HB1      LYS   4  -8.720   8.266  -4.872
   21    HG2  LYS   4           HG2      LYS   4  -7.242   9.198  -6.610
   22    HG3  LYS   4           HG1      LYS   4  -6.486   7.620  -6.793
   23    HD2  LYS   4           HD2      LYS   4  -9.398   8.233  -7.273
   24    HD3  LYS   4           HD1      LYS   4  -8.176   8.081  -8.531
   25    HE2  LYS   4           HE2      LYS   4  -7.795   5.727  -7.791
   26    HE3  LYS   4           HE1      LYS   4  -9.105   5.926  -6.633
   27    HZ1  LYS   4           HZ1      LYS   4 -10.609   6.374  -8.476
   28    HZ2  LYS   4           HZ2      LYS   4  -9.919   4.855  -8.601
   29    HZ3  LYS   4           HZ3      LYS   4  -9.366   6.107  -9.591
   30    H    GLN   5           HN       GLN   5  -7.455   9.984  -2.335
   31    HA   GLN   5           HA       GLN   5  -6.728  12.165  -4.139
   32    HB2  GLN   5           HB2      GLN   5  -8.123  13.605  -2.847
   33    HB3  GLN   5           HB1      GLN   5  -8.998  12.115  -3.137
   34    HG2  GLN   5           HG2      GLN   5  -8.487  11.363  -0.879
   35    HG3  GLN   5           HG1      GLN   5  -7.599  12.859  -0.581
   36   HE21  GLN   5          HE21      GLN   5 -10.703  11.398  -0.925
   37   HE22  GLN   5          HE22      GLN   5 -11.598  12.763  -0.400
   38    H    TYR   6           HN       TYR   6  -5.058  10.509  -1.948
   39    HA   TYR   6           HA       TYR   6  -4.003  12.789  -0.532
   40    HB2  TYR   6           HB2      TYR   6  -3.335   9.866  -0.307
   41    HB3  TYR   6           HB1      TYR   6  -2.520  11.126   0.614
   42    HD1  TYR   6           HD1      TYR   6  -4.201  12.759   1.871
   43    HD2  TYR   6           HD2      TYR   6  -5.076   8.803   0.685
   44    HE1  TYR   6           HE1      TYR   6  -5.963  12.671   3.561
   45    HE2  TYR   6           HE2      TYR   6  -6.870   8.680   2.389
   46    HH   TYR   6           HH       TYR   6  -7.932  11.515   3.935
   47    H    SER   7           HN       SER   7  -1.787  13.171  -0.343
   48    HA   SER   7           HA       SER   7  -0.503  13.456  -2.970
   49    HB2  SER   7           HB2      SER   7   0.465  14.504  -0.338
   50    HB3  SER   7           HB1      SER   7   0.584  15.228  -1.948
   51    HG   SER   7           HG       SER   7  -1.624  15.061  -0.209
   52    H    GLN   8           HN       GLN   8   1.901  13.346  -2.916
   53    HA   GLN   8           HA       GLN   8   2.656  10.691  -2.844
   54    HB2  GLN   8           HB2      GLN   8   3.643  12.400  -4.246
   55    HB3  GLN   8           HB1      GLN   8   4.355  13.159  -2.829
   56    HG2  GLN   8           HG2      GLN   8   5.556  11.015  -2.423
   57    HG3  GLN   8           HG1      GLN   8   4.881  10.515  -3.975
   58   HE21  GLN   8          HE21      GLN   8   7.712  11.105  -3.048
   59   HE22  GLN   8          HE22      GLN   8   8.334  12.191  -4.237
   60    H    GLU   9           HN       GLU   9   3.744  13.277  -0.606
   61    HA   GLU   9           HA       GLU   9   5.314  11.559   1.045
   62    HB2  GLU   9           HB2      GLU   9   5.522  13.473   2.520
   63    HB3  GLU   9           HB1      GLU   9   5.620  14.043   0.859
   64    HG2  GLU   9           HG2      GLU   9   3.258  14.728   0.970
   65    HG3  GLU   9           HG1      GLU   9   3.189  14.164   2.623
   66    H    GLU  10           HN       GLU  10   2.106  12.461   0.880
   67    HA   GLU  10           HA       GLU  10   1.284  11.995   3.538
   68    HB2  GLU  10           HB2      GLU  10   0.352  13.583   1.908
   69    HB3  GLU  10           HB1      GLU  10  -0.197  12.225   0.958
   70    HG2  GLU  10           HG2      GLU  10  -1.840  11.675   2.517
   71    HG3  GLU  10           HG1      GLU  10  -1.088  12.665   3.773
   72    H    LEU  11           HN       LEU  11   0.960  10.319   0.459
   73    HA   LEU  11           HA       LEU  11  -0.239   7.962   1.439
   74    HB2  LEU  11           HB2      LEU  11   1.361   8.559  -1.021
   75    HB3  LEU  11           HB1      LEU  11   0.549   7.026  -0.729
   76    HG   LEU  11           HG       LEU  11  -0.950   9.628  -0.750
   77   HD11  LEU  11          HD11      LEU  11   0.237   9.364  -2.873
   78   HD12  LEU  11          HD12      LEU  11  -1.510   9.185  -3.059
   79   HD13  LEU  11          HD13      LEU  11  -0.470   7.756  -3.055
   80   HD21  LEU  11          HD21      LEU  11  -1.720   6.741  -1.117
   81   HD22  LEU  11          HD22      LEU  11  -2.812   8.105  -1.290
   82   HD23  LEU  11          HD23      LEU  11  -2.085   7.756   0.280
   83    H    LYS  12           HN       LYS  12   3.048   9.030   1.146
   84    HA   LYS  12           HA       LYS  12   4.412   6.651   1.716
   85    HB2  LYS  12           HB2      LYS  12   4.915   9.547   2.012
   86    HB3  LYS  12           HB1      LYS  12   5.910   8.516   3.006
   87    HG2  LYS  12           HG2      LYS  12   5.670   8.159   0.031
   88    HG3  LYS  12           HG1      LYS  12   6.847   9.242   0.776
   89    HD2  LYS  12           HD2      LYS  12   7.639   7.271   2.136
   90    HD3  LYS  12           HD1      LYS  12   6.617   6.257   1.120
   91    HE2  LYS  12           HE2      LYS  12   7.863   6.810  -0.834
   92    HE3  LYS  12           HE1      LYS  12   8.733   8.089   0.009
   93    HZ1  LYS  12           HZ1      LYS  12   9.771   6.402   1.394
   94    HZ2  LYS  12           HZ2      LYS  12  10.111   6.140  -0.223
   95    HZ3  LYS  12           HZ3      LYS  12   8.978   5.177   0.560
   96    H    GLU  13           HN       GLU  13   2.894   9.056   3.789
   97    HA   GLU  13           HA       GLU  13   3.594   7.582   6.164
   98    HB2  GLU  13           HB2      GLU  13   2.112  10.171   5.773
   99    HB3  GLU  13           HB1      GLU  13   2.501   9.469   7.341
  100    HG2  GLU  13           HG2      GLU  13   4.499  10.304   5.248
  101    HG3  GLU  13           HG1      GLU  13   4.100  11.204   6.712
  102    H    MET  14           HN       MET  14   1.350   6.994   3.990
  103    HA   MET  14           HA       MET  14  -0.751   6.367   5.928
  104    HB2  MET  14           HB2      MET  14  -0.830   6.344   2.898
  105    HB3  MET  14           HB1      MET  14  -2.143   5.783   3.913
  106    HG2  MET  14           HG2      MET  14  -1.061   8.591   3.782
  107    HG3  MET  14           HG1      MET  14  -2.569   8.020   3.075
  108    HE1  MET  14           HE1      MET  14  -4.724   7.248   6.256
  109    HE2  MET  14           HE2      MET  14  -3.712   6.104   5.381
  110    HE3  MET  14           HE3      MET  14  -4.685   7.279   4.493
  111    H    ALA  15           HN       ALA  15  -1.394   4.288   6.243
  112    HA   ALA  15           HA       ALA  15   0.598   2.313   6.012
  113    HB1  ALA  15           HB1      ALA  15  -2.347   2.067   6.615
  114    HB2  ALA  15           HB2      ALA  15  -1.055   2.258   7.803
  115    HB3  ALA  15           HB3      ALA  15  -1.165   0.784   6.843
  116    H    LEU  16           HN       LEU  16   0.956   0.894   4.494
  117    HA   LEU  16           HA       LEU  16  -0.325   1.300   2.008
  118    HB2  LEU  16           HB2      LEU  16   1.201  -0.513   1.105
  119    HB3  LEU  16           HB1      LEU  16   1.947   0.959   1.681
  120    HG   LEU  16           HG       LEU  16   1.862  -1.512   3.422
  121   HD11  LEU  16          HD11      LEU  16   3.945  -0.743   1.374
  122   HD12  LEU  16          HD12      LEU  16   2.837  -2.106   1.234
  123   HD13  LEU  16          HD13      LEU  16   4.055  -2.085   2.512
  124   HD21  LEU  16          HD21      LEU  16   2.563   0.618   4.497
  125   HD22  LEU  16          HD22      LEU  16   3.740   0.850   3.217
  126   HD23  LEU  16          HD23      LEU  16   3.911  -0.499   4.327
  127    H    VAL  17           HN       VAL  17  -0.625  -1.092   4.460
  128    HA   VAL  17           HA       VAL  17  -2.155  -2.847   2.877
  129    HB   VAL  17           HB       VAL  17  -1.159  -3.440   5.109
  130   HG11  VAL  17          HG11      VAL  17  -3.464  -1.912   6.264
  131   HG12  VAL  17          HG12      VAL  17  -1.757  -1.506   6.399
  132   HG13  VAL  17          HG13      VAL  17  -2.376  -2.969   7.165
  133   HG21  VAL  17          HG21      VAL  17  -2.749  -4.932   4.087
  134   HG22  VAL  17          HG22      VAL  17  -4.091  -4.015   4.769
  135   HG23  VAL  17          HG23      VAL  17  -3.001  -4.902   5.833
  136    H    GLU  18           HN       GLU  18  -2.908   0.116   4.588
  137    HA   GLU  18           HA       GLU  18  -5.725  -0.182   4.245
  138    HB2  GLU  18           HB2      GLU  18  -4.112   2.286   4.925
  139    HB3  GLU  18           HB1      GLU  18  -5.870   2.240   4.861
  140    HG2  GLU  18           HG2      GLU  18  -4.067   0.762   6.758
  141    HG3  GLU  18           HG1      GLU  18  -5.224   2.042   7.142
  142    H    ILE  19           HN       ILE  19  -3.142   1.443   2.546
  143    HA   ILE  19           HA       ILE  19  -4.631   2.670   0.524
  144    HB   ILE  19           HB       ILE  19  -1.917   1.318   0.210
  145   HG12  ILE  19          HG12      ILE  19  -2.556   4.201   0.915
  146   HG13  ILE  19          HG11      ILE  19  -1.917   2.996   2.020
  147   HG21  ILE  19          HG21      ILE  19  -2.917   1.783  -1.950
  148   HG22  ILE  19          HG22      ILE  19  -1.570   2.887  -1.668
  149   HG23  ILE  19          HG23      ILE  19  -3.224   3.454  -1.483
  150   HD11  ILE  19          HD11      ILE  19  -0.539   4.101  -0.410
  151   HD12  ILE  19          HD12      ILE  19   0.131   2.877   0.665
  152   HD13  ILE  19          HD13      ILE  19  -0.178   4.508   1.267
  153    H    ALA  20           HN       ALA  20  -3.325  -0.597   0.755
  154    HA   ALA  20           HA       ALA  20  -4.367  -1.533  -1.667
  155    HB1  ALA  20           HB1      ALA  20  -2.532  -2.611  -0.420
  156    HB2  ALA  20           HB2      ALA  20  -3.800  -3.735  -0.878
  157    HB3  ALA  20           HB3      ALA  20  -3.697  -3.152   0.788
  158    H    HIS  21           HN       HIS  21  -5.703  -1.723   1.658
  159    HA   HIS  21           HA       HIS  21  -8.064  -3.115   1.052
  160    HB2  HIS  21           HB2      HIS  21  -7.592  -0.966   3.147
  161    HB3  HIS  21           HB1      HIS  21  -9.139  -1.797   2.979
  162    HD1  HIS  21           HD1      HIS  21  -6.412  -1.885   5.229
  163    HD2  HIS  21           HD2      HIS  21  -8.395  -4.869   3.075
  164    HE1  HIS  21           HE1      HIS  21  -5.909  -3.964   6.372
  165    HE2  HIS  21           HE2      HIS  21  -6.864  -5.770   5.040
  166    H    GLU  22           HN       GLU  22  -7.462   0.357   0.980
  167    HA   GLU  22           HA       GLU  22  -9.924   1.258   0.068
  168    HB2  GLU  22           HB2      GLU  22  -7.132   2.250  -0.043
  169    HB3  GLU  22           HB1      GLU  22  -8.408   3.123  -0.867
  170    HG2  GLU  22           HG2      GLU  22  -8.574   2.393   2.038
  171    HG3  GLU  22           HG1      GLU  22  -7.898   3.925   1.494
  172    H    LEU  23           HN       LEU  23  -7.085   0.183  -1.670
  173    HA   LEU  23           HA       LEU  23  -7.770   0.857  -4.273
  174    HB2  LEU  23           HB2      LEU  23  -5.573   0.112  -3.486
  175    HB3  LEU  23           HB1      LEU  23  -6.204  -1.490  -3.224
  176    HG   LEU  23           HG       LEU  23  -6.354  -1.864  -5.652
  177   HD11  LEU  23          HD11      LEU  23  -6.959   0.479  -6.265
  178   HD12  LEU  23          HD12      LEU  23  -5.618  -0.163  -7.203
  179   HD13  LEU  23          HD13      LEU  23  -5.306   0.966  -5.884
  180   HD21  LEU  23          HD21      LEU  23  -3.789  -0.582  -4.801
  181   HD22  LEU  23          HD22      LEU  23  -3.999  -1.762  -6.110
  182   HD23  LEU  23          HD23      LEU  23  -4.281  -2.230  -4.426
  183    H    PHE  24           HN       PHE  24  -8.483  -2.067  -2.429
  184    HA   PHE  24           HA       PHE  24  -9.950  -3.219  -4.600
  185    HB2  PHE  24           HB2      PHE  24  -9.610  -4.117  -1.753
  186    HB3  PHE  24           HB1      PHE  24 -10.560  -5.006  -2.954
  187    HD1  PHE  24           HD1      PHE  24  -9.482  -5.672  -5.061
  188    HD2  PHE  24           HD2      PHE  24  -7.287  -4.323  -1.719
  189    HE1  PHE  24           HE1      PHE  24  -7.473  -6.632  -6.000
  190    HE2  PHE  24           HE2      PHE  24  -5.241  -5.301  -2.660
  191    HZ   PHE  24           HZ       PHE  24  -5.343  -6.459  -4.820
  192    H    GLU  25           HN       GLU  25 -10.733  -1.289  -1.888
  193    HA   GLU  25           HA       GLU  25 -13.524  -1.635  -1.958
  194    HB2  GLU  25           HB2      GLU  25 -12.199  -0.522  -0.113
  195    HB3  GLU  25           HB1      GLU  25 -11.906   0.826  -1.189
  196    HG2  GLU  25           HG2      GLU  25 -14.657  -0.006  -0.258
  197    HG3  GLU  25           HG1      GLU  25 -13.660   1.172   0.574
  198    H    GLU  26           HN       GLU  26 -11.344   0.704  -3.483
  199    HA   GLU  26           HA       GLU  26 -13.241   2.135  -4.956
  200    HB2  GLU  26           HB2      GLU  26 -10.716   2.599  -4.398
  201    HB3  GLU  26           HB1      GLU  26 -10.405   1.701  -5.867
  202    HG2  GLU  26           HG2      GLU  26 -12.121   4.176  -5.767
  203    HG3  GLU  26           HG1      GLU  26 -10.392   4.197  -6.063
  204    H    HIS  27           HN       HIS  27 -11.116  -0.560  -5.955
  205    HA   HIS  27           HA       HIS  27 -12.153  -0.791  -8.589
  206    HB2  HIS  27           HB2      HIS  27 -10.507  -2.630  -6.915
  207    HB3  HIS  27           HB1      HIS  27 -11.247  -3.239  -8.383
  208    HD1  HIS  27           HD1      HIS  27 -10.397  -2.144 -10.657
  209    HD2  HIS  27           HD2      HIS  27  -8.219  -1.133  -7.268
  210    HE1  HIS  27           HE1      HIS  27  -8.205  -1.365 -11.493
  211    HE2  HIS  27           HE2      HIS  27  -6.994  -0.536  -9.518
  212    H    LYS  28           HN       LYS  28 -13.270  -2.193  -5.574
  213    HA   LYS  28           HA       LYS  28 -15.123  -3.407  -4.996
  214    HB2  LYS  28           HB2      LYS  28 -16.094  -2.836  -7.817
  215    HB3  LYS  28           HB1      LYS  28 -17.081  -3.412  -6.491
  216    HG2  LYS  28           HG2      LYS  28 -15.667  -0.778  -6.438
  217    HG3  LYS  28           HG1      LYS  28 -17.290  -0.961  -7.119
  218    HD2  LYS  28           HD2      LYS  28 -18.042  -1.808  -4.918
  219    HD3  LYS  28           HD1      LYS  28 -16.416  -1.524  -4.283
  220    HE2  LYS  28           HE2      LYS  28 -18.266   0.579  -5.420
  221    HE3  LYS  28           HE1      LYS  28 -17.981   0.290  -3.711
  222    HZ1  LYS  28           HZ1      LYS  28 -15.966   1.182  -5.693
  223    HZ2  LYS  28           HZ2      LYS  28 -15.644   0.843  -4.071
  224    HZ3  LYS  28           HZ3      LYS  28 -16.649   2.132  -4.475
  225    H    LYS  29           HN       LYS  29 -12.772  -4.560  -6.636
  226    HA   LYS  29           HA       LYS  29 -13.832  -7.129  -7.394
  227    HB2  LYS  29           HB2      LYS  29 -14.205  -5.585  -9.367
  228    HB3  LYS  29           HB1      LYS  29 -12.488  -5.252  -9.379
  229    HG2  LYS  29           HG2      LYS  29 -12.891  -6.788 -11.108
  230    HG3  LYS  29           HG1      LYS  29 -12.140  -7.715  -9.816
  231    HD2  LYS  29           HD2      LYS  29 -14.483  -8.422  -9.125
  232    HD3  LYS  29           HD1      LYS  29 -15.053  -7.616 -10.576
  233    HE2  LYS  29           HE2      LYS  29 -13.047  -9.860 -10.534
  234    HE3  LYS  29           HE1      LYS  29 -14.749 -10.029 -10.941
  235    HZ1  LYS  29           HZ1      LYS  29 -14.398  -8.571 -12.838
  236    HZ2  LYS  29           HZ2      LYS  29 -13.365  -9.896 -12.883
  237    HZ3  LYS  29           HZ3      LYS  29 -12.763  -8.393 -12.434
  238    HA   PRO  30           HA       PRO  30  -9.596  -7.976  -5.969
  239    HB2  PRO  30           HB2      PRO  30  -9.070 -10.271  -7.312
  240    HB3  PRO  30           HB1      PRO  30 -10.117 -10.201  -5.889
  241    HG2  PRO  30           HG2      PRO  30 -10.881 -10.168  -8.789
  242    HG3  PRO  30           HG1      PRO  30 -11.551 -11.161  -7.478
  243    HD2  PRO  30           HD2      PRO  30 -12.814  -8.987  -8.288
  244    HD3  PRO  30           HD1      PRO  30 -12.716  -9.360  -6.555
  245    H    VAL  31           HN       VAL  31  -7.455  -8.141  -6.706
  246    HA   VAL  31           HA       VAL  31  -6.900  -7.485  -9.481
  247    HB   VAL  31           HB       VAL  31  -5.982  -5.792  -7.096
  248   HG11  VAL  31          HG11      VAL  31  -4.176  -6.009  -8.652
  249   HG12  VAL  31          HG12      VAL  31  -4.832  -4.373  -8.703
  250   HG13  VAL  31          HG13      VAL  31  -5.220  -5.523  -9.983
  251   HG21  VAL  31          HG21      VAL  31  -7.677  -5.003  -9.466
  252   HG22  VAL  31          HG22      VAL  31  -7.131  -3.926  -8.182
  253   HG23  VAL  31          HG23      VAL  31  -8.252  -5.238  -7.817
  254    HA   PRO  32           HA       PRO  32  -3.639 -10.510  -8.602
  255    HB2  PRO  32           HB2      PRO  32  -2.247  -8.910 -10.699
  256    HB3  PRO  32           HB1      PRO  32  -2.464 -10.661 -10.586
  257    HG2  PRO  32           HG2      PRO  32  -3.915  -9.280 -12.302
  258    HG3  PRO  32           HG1      PRO  32  -4.661 -10.570 -11.339
  259    HD2  PRO  32           HD2      PRO  32  -4.822  -7.608 -10.981
  260    HD3  PRO  32           HD1      PRO  32  -6.079  -8.852 -10.785
  261    H    PHE  33           HN       PHE  33  -1.711 -10.508  -7.498
  262    HA   PHE  33           HA       PHE  33  -1.149  -8.439  -5.783
  263    HB2  PHE  33           HB2      PHE  33  -0.516 -10.796  -5.414
  264    HB3  PHE  33           HB1      PHE  33   0.745 -10.626  -6.639
  265    HD1  PHE  33           HD2      PHE  33  -0.346  -9.578  -3.285
  266    HD2  PHE  33           HD1      PHE  33   2.831  -9.621  -6.109
  267    HE1  PHE  33           HE2      PHE  33   1.210  -8.820  -1.543
  268    HE2  PHE  33           HE1      PHE  33   4.389  -8.866  -4.369
  269    HZ   PHE  33           HZ       PHE  33   3.580  -8.462  -2.085
  270    H    GLN  34           HN       GLN  34   0.532  -9.202  -8.809
  271    HA   GLN  34           HA       GLN  34   2.553  -7.209  -8.492
  272    HB2  GLN  34           HB2      GLN  34   2.238  -9.332 -10.152
  273    HB3  GLN  34           HB1      GLN  34   1.714  -8.047 -11.220
  274    HG2  GLN  34           HG2      GLN  34   4.423  -8.363  -9.924
  275    HG3  GLN  34           HG1      GLN  34   4.030  -8.565 -11.620
  276   HE21  GLN  34          HE21      GLN  34   4.802  -6.355  -9.112
  277   HE22  GLN  34          HE22      GLN  34   4.928  -4.943 -10.095
  278    H    GLU  35           HN       GLU  35  -0.740  -7.216  -9.692
  279    HA   GLU  35           HA       GLU  35  -0.471  -4.842 -11.264
  280    HB2  GLU  35           HB2      GLU  35  -2.854  -6.450 -10.381
  281    HB3  GLU  35           HB1      GLU  35  -2.968  -5.022 -11.395
  282    HG2  GLU  35           HG2      GLU  35  -1.458  -7.526 -12.076
  283    HG3  GLU  35           HG1      GLU  35  -3.062  -7.098 -12.680
  284    H    LEU  36           HN       LEU  36  -1.816  -5.765  -8.148
  285    HA   LEU  36           HA       LEU  36  -2.869  -3.245  -7.573
  286    HB2  LEU  36           HB2      LEU  36  -3.093  -4.021  -5.242
  287    HB3  LEU  36           HB1      LEU  36  -3.705  -5.182  -6.390
  288    HG   LEU  36           HG       LEU  36  -1.415  -6.353  -6.069
  289   HD11  LEU  36          HD11      LEU  36  -1.501  -4.773  -3.517
  290   HD12  LEU  36          HD12      LEU  36  -0.366  -4.541  -4.842
  291   HD13  LEU  36          HD13      LEU  36  -0.365  -6.061  -3.950
  292   HD21  LEU  36          HD21      LEU  36  -3.487  -6.339  -3.889
  293   HD22  LEU  36          HD22      LEU  36  -2.262  -7.580  -4.124
  294   HD23  LEU  36          HD23      LEU  36  -3.503  -7.330  -5.353
  295    H    LEU  37           HN       LEU  37   0.322  -4.548  -7.143
  296    HA   LEU  37           HA       LEU  37   1.324  -2.492  -5.490
  297    HB2  LEU  37           HB2      LEU  37   2.562  -4.439  -7.377
  298    HB3  LEU  37           HB1      LEU  37   3.542  -3.343  -6.391
  299    HG   LEU  37           HG       LEU  37   1.633  -5.452  -5.395
  300   HD11  LEU  37          HD11      LEU  37   3.495  -6.437  -6.552
  301   HD12  LEU  37          HD12      LEU  37   3.662  -6.678  -4.814
  302   HD13  LEU  37          HD13      LEU  37   4.623  -5.447  -5.636
  303   HD21  LEU  37          HD21      LEU  37   2.791  -5.062  -3.238
  304   HD22  LEU  37          HD22      LEU  37   1.869  -3.673  -3.794
  305   HD23  LEU  37          HD23      LEU  37   3.621  -3.680  -3.963
  306    H    ASN  38           HN       ASN  38   1.155  -2.991  -8.967
  307    HA   ASN  38           HA       ASN  38   2.519  -0.616  -9.668
  308    HB2  ASN  38           HB2      ASN  38   0.608  -2.377 -11.184
  309    HB3  ASN  38           HB1      ASN  38   1.117  -0.835 -11.854
  310   HD21  ASN  38          HD21      ASN  38   2.094  -4.063 -11.045
  311   HD22  ASN  38          HD22      ASN  38   3.575  -4.029 -11.897
  312    H    GLU  39           HN       GLU  39  -0.875  -1.361  -9.165
  313    HA   GLU  39           HA       GLU  39  -2.028   1.111  -9.687
  314    HB2  GLU  39           HB2      GLU  39  -2.734  -0.879  -7.537
  315    HB3  GLU  39           HB1      GLU  39  -3.762   0.451  -8.050
  316    HG2  GLU  39           HG2      GLU  39  -2.860  -1.789  -9.839
  317    HG3  GLU  39           HG1      GLU  39  -4.384  -1.768  -8.960
  318    H    ILE  40           HN       ILE  40  -0.789  -0.159  -6.600
  319    HA   ILE  40           HA       ILE  40  -1.190   2.106  -5.037
  320    HB   ILE  40           HB       ILE  40   0.967  -0.021  -4.760
  321   HG12  ILE  40          HG12      ILE  40  -1.670   0.286  -3.299
  322   HG13  ILE  40          HG11      ILE  40  -1.387  -0.822  -4.634
  323   HG21  ILE  40          HG21      ILE  40   1.645   1.965  -3.533
  324   HG22  ILE  40          HG22      ILE  40   1.161   0.698  -2.405
  325   HG23  ILE  40          HG23      ILE  40   0.071   2.043  -2.742
  326   HD11  ILE  40          HD11      ILE  40  -0.007  -0.901  -1.955
  327   HD12  ILE  40          HD12      ILE  40   0.266  -2.015  -3.296
  328   HD13  ILE  40          HD13      ILE  40  -1.302  -1.972  -2.495
  329    H    ALA  41           HN       ALA  41   1.728   1.176  -6.860
  330    HA   ALA  41           HA       ALA  41   3.233   3.414  -6.109
  331    HB1  ALA  41           HB1      ALA  41   4.694   2.922  -7.975
  332    HB2  ALA  41           HB2      ALA  41   3.472   1.858  -8.680
  333    HB3  ALA  41           HB3      ALA  41   4.234   1.439  -7.138
  334    H    SER  42           HN       SER  42   1.013   2.987  -8.839
  335    HA   SER  42           HA       SER  42   1.513   5.609  -9.831
  336    HB2  SER  42           HB2      SER  42  -0.480   5.176 -11.324
  337    HB3  SER  42           HB1      SER  42   0.791   3.964 -11.439
  338    HG   SER  42           HG       SER  42  -1.121   3.354  -9.537
  339    H    LEU  43           HN       LEU  43  -0.601   4.360  -7.465
  340    HA   LEU  43           HA       LEU  43  -2.430   6.519  -7.292
  341    HB2  LEU  43           HB2      LEU  43  -2.468   4.103  -6.265
  342    HB3  LEU  43           HB1      LEU  43  -1.465   4.776  -5.012
  343    HG   LEU  43           HG       LEU  43  -3.766   4.564  -4.283
  344   HD11  LEU  43          HD11      LEU  43  -4.205   6.791  -3.474
  345   HD12  LEU  43          HD12      LEU  43  -3.061   7.455  -4.643
  346   HD13  LEU  43          HD13      LEU  43  -2.491   6.397  -3.353
  347   HD21  LEU  43          HD21      LEU  43  -5.575   5.825  -5.300
  348   HD22  LEU  43          HD22      LEU  43  -4.846   4.717  -6.462
  349   HD23  LEU  43          HD23      LEU  43  -4.472   6.437  -6.530
  350    H    LEU  44           HN       LEU  44   0.580   5.620  -5.752
  351    HA   LEU  44           HA       LEU  44   0.971   8.135  -4.434
  352    HB2  LEU  44           HB2      LEU  44   2.700   5.715  -4.879
  353    HB3  LEU  44           HB1      LEU  44   3.376   7.189  -4.236
  354    HG   LEU  44           HG       LEU  44   1.872   6.986  -2.280
  355   HD11  LEU  44          HD11      LEU  44   0.054   5.690  -3.226
  356   HD12  LEU  44          HD12      LEU  44   0.742   4.868  -1.822
  357   HD13  LEU  44          HD13      LEU  44   1.137   4.319  -3.450
  358   HD21  LEU  44          HD21      LEU  44   3.627   4.609  -2.820
  359   HD22  LEU  44          HD22      LEU  44   3.049   5.108  -1.229
  360   HD23  LEU  44          HD23      LEU  44   4.130   6.159  -2.146
  361    H    GLY  45           HN       GLY  45   2.970   9.339  -4.889
  362    HA2  GLY  45           HA2      GLY  45   3.388   9.598  -7.792
  363    HA3  GLY  45           HA1      GLY  45   3.648  10.894  -6.619
  364    H    VAL  46           HN       VAL  46   4.644   7.515  -6.662
  365    HA   VAL  46           HA       VAL  46   7.365   8.472  -6.113
  366    HB   VAL  46           HB       VAL  46   7.734   6.535  -4.684
  367   HG11  VAL  46          HG11      VAL  46   6.970   8.539  -3.596
  368   HG12  VAL  46          HG12      VAL  46   6.295   7.124  -2.787
  369   HG13  VAL  46          HG13      VAL  46   5.292   8.084  -3.873
  370   HG21  VAL  46          HG21      VAL  46   5.854   5.060  -4.007
  371   HG22  VAL  46          HG22      VAL  46   6.257   4.922  -5.718
  372   HG23  VAL  46          HG23      VAL  46   4.842   5.845  -5.229
  373    H    LYS  47           HN       LYS  47   9.043   6.949  -6.669
  374    HA   LYS  47           HA       LYS  47   8.608   5.736  -9.212
  375    HB2  LYS  47           HB2      LYS  47  11.001   5.737  -7.360
  376    HB3  LYS  47           HB1      LYS  47  10.987   4.908  -8.906
  377    HG2  LYS  47           HG2      LYS  47  10.447   7.130  -9.950
  378    HG3  LYS  47           HG1      LYS  47  10.779   7.850  -8.379
  379    HD2  LYS  47           HD2      LYS  47  12.744   6.035  -9.688
  380    HD3  LYS  47           HD1      LYS  47  12.706   7.745 -10.171
  381    HE2  LYS  47           HE2      LYS  47  14.406   7.655  -8.567
  382    HE3  LYS  47           HE1      LYS  47  13.025   8.093  -7.573
  383    HZ1  LYS  47           HZ1      LYS  47  12.953   5.884  -6.651
  384    HZ2  LYS  47           HZ2      LYS  47  14.594   6.193  -6.802
  385    HZ3  LYS  47           HZ3      LYS  47  13.797   5.296  -7.977
  386    H    LYS  48           HN       LYS  48   9.198   3.482  -9.626
  387    HA   LYS  48           HA       LYS  48   7.548   1.842  -8.043
  388    HB2  LYS  48           HB2      LYS  48   7.901   1.495 -10.469
  389    HB3  LYS  48           HB1      LYS  48   9.551   0.998 -10.131
  390    HG2  LYS  48           HG2      LYS  48   8.276  -0.995 -10.401
  391    HG3  LYS  48           HG1      LYS  48   8.652  -0.794  -8.688
  392    HD2  LYS  48           HD2      LYS  48   6.312  -1.506  -8.891
  393    HD3  LYS  48           HD1      LYS  48   6.372   0.149  -8.324
  394    HE2  LYS  48           HE2      LYS  48   4.663  -0.226 -10.069
  395    HE3  LYS  48           HE1      LYS  48   5.848   0.989 -10.523
  396    HZ1  LYS  48           HZ1      LYS  48   6.079  -1.846 -11.366
  397    HZ2  LYS  48           HZ2      LYS  48   6.858  -0.495 -12.045
  398    HZ3  LYS  48           HZ3      LYS  48   5.207  -0.720 -12.238
  399    H    GLU  49           HN       GLU  49  11.015   2.310  -8.244
  400    HA   GLU  49           HA       GLU  49  11.996   0.154  -6.813
  401    HB2  GLU  49           HB2      GLU  49  13.058   2.965  -6.518
  402    HB3  GLU  49           HB1      GLU  49  13.949   1.471  -6.320
  403    HG2  GLU  49           HG2      GLU  49  14.686   2.202  -8.399
  404    HG3  GLU  49           HG1      GLU  49  13.362   1.145  -8.864
  405    H    GLU  50           HN       GLU  50  10.762   3.196  -5.635
  406    HA   GLU  50           HA       GLU  50  11.327   3.071  -2.891
  407    HB2  GLU  50           HB2      GLU  50   8.710   4.157  -3.870
  408    HB3  GLU  50           HB1      GLU  50   9.777   4.818  -2.655
  409    HG2  GLU  50           HG2      GLU  50  10.213   4.862  -5.626
  410    HG3  GLU  50           HG1      GLU  50   9.648   6.208  -4.656
  411    H    LEU  51           HN       LEU  51   8.499   2.189  -4.749
  412    HA   LEU  51           HA       LEU  51   7.117   1.099  -2.533
  413    HB2  LEU  51           HB2      LEU  51   6.047   2.333  -4.446
  414    HB3  LEU  51           HB1      LEU  51   6.452   0.987  -5.470
  415    HG   LEU  51           HG       LEU  51   4.026   1.217  -4.743
  416   HD11  LEU  51          HD11      LEU  51   5.378  -1.408  -4.198
  417   HD12  LEU  51          HD12      LEU  51   4.798  -0.827  -5.760
  418   HD13  LEU  51          HD13      LEU  51   3.651  -1.174  -4.467
  419   HD21  LEU  51          HD21      LEU  51   5.133   0.173  -2.145
  420   HD22  LEU  51          HD22      LEU  51   3.424   0.309  -2.557
  421   HD23  LEU  51          HD23      LEU  51   4.414   1.761  -2.409
  422    H    GLY  52           HN       GLY  52   9.462  -0.052  -4.684
  423    HA2  GLY  52           HA2      GLY  52   8.830  -2.806  -4.844
  424    HA3  GLY  52           HA1      GLY  52  10.417  -2.079  -5.063
  425    H    ASP  53           HN       ASP  53  11.032  -1.011  -2.725
  426    HA   ASP  53           HA       ASP  53  11.548  -3.229  -1.036
  427    HB2  ASP  53           HB2      ASP  53  11.767  -0.260  -0.513
  428    HB3  ASP  53           HB1      ASP  53  12.243  -1.475   0.671
  429    H    ARG  54           HN       ARG  54   9.132  -0.753  -1.114
  430    HA   ARG  54           HA       ARG  54   7.833  -1.734   1.161
  431    HB2  ARG  54           HB2      ARG  54   7.160   0.298  -0.797
  432    HB3  ARG  54           HB1      ARG  54   5.752  -0.549  -0.149
  433    HG2  ARG  54           HG2      ARG  54   6.594  -0.065   2.120
  434    HG3  ARG  54           HG1      ARG  54   7.893   0.877   1.397
  435    HD2  ARG  54           HD2      ARG  54   6.375   2.440   0.507
  436    HD3  ARG  54           HD1      ARG  54   4.974   1.463   0.889
  437    HE   ARG  54           HE       ARG  54   6.661   2.175   3.153
  438   HH11  ARG  54          HH11      ARG  54   3.764   3.273   1.360
  439   HH12  ARG  54          HH12      ARG  54   3.245   4.277   2.643
  440   HH21  ARG  54          HH21      ARG  54   5.943   3.428   4.767
  441   HH22  ARG  54          HH22      ARG  54   4.561   4.457   4.632
  442    H    ILE  55           HN       ILE  55   7.988  -3.139  -1.908
  443    HA   ILE  55           HA       ILE  55   5.540  -4.610  -1.771
  444    HB   ILE  55           HB       ILE  55   8.139  -5.263  -3.221
  445   HG12  ILE  55          HG12      ILE  55   5.542  -4.168  -4.310
  446   HG13  ILE  55          HG11      ILE  55   6.994  -3.226  -4.024
  447   HG21  ILE  55          HG21      ILE  55   6.854  -6.897  -4.533
  448   HG22  ILE  55          HG22      ILE  55   5.445  -6.590  -3.516
  449   HG23  ILE  55          HG23      ILE  55   6.895  -7.308  -2.818
  450   HD11  ILE  55          HD11      ILE  55   6.755  -3.771  -6.379
  451   HD12  ILE  55          HD12      ILE  55   6.709  -5.491  -5.991
  452   HD13  ILE  55          HD13      ILE  55   8.178  -4.572  -5.709
  453    H    ALA  56           HN       ALA  56   8.885  -5.165  -0.880
  454    HA   ALA  56           HA       ALA  56   8.510  -7.716   0.291
  455    HB1  ALA  56           HB1      ALA  56  10.611  -7.289   1.477
  456    HB2  ALA  56           HB2      ALA  56  10.529  -5.588   1.015
  457    HB3  ALA  56           HB3      ALA  56  10.737  -6.831  -0.221
  458    H    GLN  57           HN       GLN  57   8.374  -4.474   1.598
  459    HA   GLN  57           HA       GLN  57   7.745  -4.993   4.289
  460    HB2  GLN  57           HB2      GLN  57   8.225  -2.753   2.992
  461    HB3  GLN  57           HB1      GLN  57   6.499  -2.745   2.711
  462    HG2  GLN  57           HG2      GLN  57   7.911  -2.584   5.375
  463    HG3  GLN  57           HG1      GLN  57   7.078  -1.285   4.543
  464   HE21  GLN  57          HE21      GLN  57   6.766  -4.035   6.592
  465   HE22  GLN  57          HE22      GLN  57   5.101  -3.829   6.952
  466    H    PHE  58           HN       PHE  58   5.750  -4.552   1.429
  467    HA   PHE  58           HA       PHE  58   3.254  -4.802   2.574
  468    HB2  PHE  58           HB2      PHE  58   3.746  -3.850   0.342
  469    HB3  PHE  58           HB1      PHE  58   4.059  -5.473  -0.242
  470    HD1  PHE  58           HD1      PHE  58   1.355  -3.722   1.659
  471    HD2  PHE  58           HD2      PHE  58   2.417  -6.365  -1.489
  472    HE1  PHE  58           HE1      PHE  58  -1.014  -3.921   1.033
  473    HE2  PHE  58           HE2      PHE  58   0.089  -6.571  -2.127
  474    HZ   PHE  58           HZ       PHE  58  -1.661  -5.353  -0.862
  475    H    TYR  59           HN       TYR  59   5.282  -7.376   1.076
  476    HA   TYR  59           HA       TYR  59   3.450  -9.472   1.411
  477    HB2  TYR  59           HB2      TYR  59   6.447  -9.457   1.624
  478    HB3  TYR  59           HB1      TYR  59   5.536 -10.913   1.962
  479    HD1  TYR  59           HD2      TYR  59   4.086 -11.865   0.106
  480    HD2  TYR  59           HD1      TYR  59   7.031  -8.882  -0.565
  481    HE1  TYR  59           HE2      TYR  59   4.187 -12.512  -2.266
  482    HE2  TYR  59           HE1      TYR  59   7.146  -9.518  -2.930
  483    HH   TYR  59           HH       TYR  59   6.699 -11.437  -4.278
  484    H    THR  60           HN       THR  60   5.715  -8.144   3.682
  485    HA   THR  60           HA       THR  60   5.234  -9.857   5.857
  486    HB   THR  60           HB       THR  60   6.210  -6.997   5.779
  487    HG1  THR  60           HG1      THR  60   7.580  -8.210   4.503
  488   HG21  THR  60          HG21      THR  60   7.370  -7.574   7.890
  489   HG22  THR  60          HG22      THR  60   6.605  -9.165   7.866
  490   HG23  THR  60          HG23      THR  60   5.620  -7.717   8.053
  491    H    ASP  61           HN       ASP  61   3.981  -6.660   5.043
  492    HA   ASP  61           HA       ASP  61   2.434  -6.251   7.390
  493    HB2  ASP  61           HB2      ASP  61   3.533  -4.517   6.005
  494    HB3  ASP  61           HB1      ASP  61   2.397  -4.861   4.717
  495    H    LEU  62           HN       LEU  62   1.741  -7.407   4.182
  496    HA   LEU  62           HA       LEU  62  -1.093  -7.247   4.291
  497    HB2  LEU  62           HB2      LEU  62   0.195  -7.163   2.235
  498    HB3  LEU  62           HB1      LEU  62   0.770  -8.785   2.509
  499    HG   LEU  62           HG       LEU  62  -1.527  -9.621   2.199
  500   HD11  LEU  62          HD11      LEU  62  -3.194  -8.101   1.248
  501   HD12  LEU  62          HD12      LEU  62  -2.091  -6.745   1.484
  502   HD13  LEU  62          HD13      LEU  62  -2.736  -7.615   2.878
  503   HD21  LEU  62          HD21      LEU  62  -1.579  -9.243  -0.207
  504   HD22  LEU  62          HD22      LEU  62   0.062  -9.558   0.366
  505   HD23  LEU  62          HD23      LEU  62  -0.438  -7.911  -0.021
  506    H    ASN  63           HN       ASN  63   1.250  -9.863   4.867
  507    HA   ASN  63           HA       ASN  63  -0.890 -11.778   5.052
  508    HB2  ASN  63           HB2      ASN  63   2.080 -12.136   5.426
  509    HB3  ASN  63           HB1      ASN  63   0.934 -13.419   5.792
  510   HD21  ASN  63          HD21      ASN  63   2.489 -11.609   3.303
  511   HD22  ASN  63          HD22      ASN  63   1.919 -12.581   1.986
  512    H    ILE  64           HN       ILE  64   0.096  -9.549   7.171
  513    HA   ILE  64           HA       ILE  64  -0.718 -11.235   9.418
  514    HB   ILE  64           HB       ILE  64   0.107  -9.435  10.919
  515   HG12  ILE  64          HG12      ILE  64   1.150  -8.155   8.378
  516   HG13  ILE  64          HG11      ILE  64  -0.166  -7.542   9.367
  517   HG21  ILE  64          HG21      ILE  64   2.157 -10.477   8.972
  518   HG22  ILE  64          HG22      ILE  64   1.578 -11.278  10.435
  519   HG23  ILE  64          HG23      ILE  64   2.516  -9.791  10.555
  520   HD11  ILE  64          HD11      ILE  64   2.711  -7.799  10.222
  521   HD12  ILE  64          HD12      ILE  64   1.392  -7.163  11.207
  522   HD13  ILE  64          HD13      ILE  64   1.893  -6.309   9.749
  523    H    ASP  65           HN       ASP  65  -2.126  -9.469   7.170
  524    HA   ASP  65           HA       ASP  65  -3.822  -7.818   8.852
  525    HB2  ASP  65           HB2      ASP  65  -3.126  -6.832   6.735
  526    HB3  ASP  65           HB1      ASP  65  -3.784  -8.202   5.851
  527    H    GLY  66           HN       GLY  66  -5.817  -8.286   9.402
  528    HA2  GLY  66           HA2      GLY  66  -6.721 -10.964   8.682
  529    HA3  GLY  66           HA1      GLY  66  -7.182 -10.046  10.131
  530    H    ARG  67           HN       ARG  67  -7.137  -8.584   6.969
  531    HA   ARG  67           HA       ARG  67 -10.072  -8.712   6.902
  532    HB2  ARG  67           HB2      ARG  67  -8.264  -6.329   6.421
  533    HB3  ARG  67           HB1      ARG  67  -9.974  -6.341   6.005
  534    HG2  ARG  67           HG2      ARG  67 -10.653  -6.193   8.172
  535    HG3  ARG  67           HG1      ARG  67  -9.299  -7.142   8.764
  536    HD2  ARG  67           HD2      ARG  67  -9.159  -4.867   9.587
  537    HD3  ARG  67           HD1      ARG  67  -7.827  -5.214   8.495
  538    HE   ARG  67           HE       ARG  67  -9.999  -3.960   7.154
  539   HH11  ARG  67          HH11      ARG  67  -7.247  -3.323   9.295
  540   HH12  ARG  67          HH12      ARG  67  -7.028  -1.720   8.786
  541   HH21  ARG  67          HH21      ARG  67  -9.678  -1.687   6.462
  542   HH22  ARG  67          HH22      ARG  67  -8.395  -0.783   7.150
  543    H    PHE  68           HN       PHE  68  -7.073  -8.447   5.111
  544    HA   PHE  68           HA       PHE  68  -8.116  -8.649   2.513
  545    HB2  PHE  68           HB2      PHE  68  -5.520  -8.699   3.786
  546    HB3  PHE  68           HB1      PHE  68  -5.617  -9.776   2.393
  547    HD1  PHE  68           HD1      PHE  68  -6.250  -8.903   0.225
  548    HD2  PHE  68           HD2      PHE  68  -5.491  -6.361   3.525
  549    HE1  PHE  68           HE1      PHE  68  -5.979  -7.030  -1.301
  550    HE2  PHE  68           HE2      PHE  68  -5.224  -4.460   1.995
  551    HZ   PHE  68           HZ       PHE  68  -5.479  -4.810  -0.433
  552    H    LEU  69           HN       LEU  69  -7.500 -10.417   1.019
  553    HA   LEU  69           HA       LEU  69  -7.281 -13.076   2.059
  554    HB2  LEU  69           HB2      LEU  69  -9.787 -12.614   2.046
  555    HB3  LEU  69           HB1      LEU  69  -9.635 -12.271   0.364
  556    HG   LEU  69           HG       LEU  69  -8.800 -14.564  -0.020
  557   HD11  LEU  69          HD11      LEU  69  -9.219 -16.253   1.700
  558   HD12  LEU  69          HD12      LEU  69  -9.617 -14.976   2.849
  559   HD13  LEU  69          HD13      LEU  69  -7.984 -15.097   2.195
  560   HD21  LEU  69          HD21      LEU  69 -11.085 -13.914  -0.427
  561   HD22  LEU  69          HD22      LEU  69 -11.493 -14.279   1.248
  562   HD23  LEU  69          HD23      LEU  69 -10.988 -15.571   0.159
  563    H    ALA  70           HN       ALA  70  -6.149 -14.263   0.565
  564    HA   ALA  70           HA       ALA  70  -5.761 -13.164  -2.110
  565    HB1  ALA  70           HB1      ALA  70  -3.760 -13.946  -0.905
  566    HB2  ALA  70           HB2      ALA  70  -4.062 -14.958  -2.319
  567    HB3  ALA  70           HB3      ALA  70  -4.493 -15.538  -0.710
  568    H    LEU  71           HN       LEU  71  -7.276 -13.755  -3.538
  569    HA   LEU  71           HA       LEU  71  -9.137 -15.775  -2.988
  570    HB2  LEU  71           HB2      LEU  71  -8.656 -14.528  -5.683
  571    HB3  LEU  71           HB1      LEU  71 -10.094 -15.371  -5.161
  572    HG   LEU  71           HG       LEU  71  -9.123 -12.656  -4.296
  573   HD11  LEU  71          HD11      LEU  71 -11.600 -13.580  -5.702
  574   HD12  LEU  71          HD12      LEU  71 -10.226 -12.722  -6.409
  575   HD13  LEU  71          HD13      LEU  71 -11.240 -11.929  -5.202
  576   HD21  LEU  71          HD21      LEU  71 -10.045 -13.764  -2.320
  577   HD22  LEU  71          HD22      LEU  71 -11.512 -14.166  -3.231
  578   HD23  LEU  71          HD23      LEU  71 -11.102 -12.479  -2.910
  579    H    SER  72           HN       SER  72  -7.360 -15.929  -6.158
  580    HA   SER  72           HA       SER  72  -7.499 -18.787  -5.650
  581    HB2  SER  72           HB2      SER  72  -7.240 -18.944  -8.170
  582    HB3  SER  72           HB1      SER  72  -8.748 -18.280  -7.533
  583    HG   SER  72           HG       SER  72  -6.924 -17.136  -9.137
  584    H    ASP  73           HN       ASP  73  -5.112 -16.784  -7.528
  585    HA   ASP  73           HA       ASP  73  -3.116 -18.668  -6.348
  586    HB2  ASP  73           HB2      ASP  73  -2.882 -17.407  -9.093
  587    HB3  ASP  73           HB1      ASP  73  -1.737 -18.500  -8.351
  588    H    GLN  74           HN       GLN  74  -3.963 -15.486  -6.716
  589    HA   GLN  74           HA       GLN  74  -2.020 -14.301  -5.194
  590    HB2  GLN  74           HB2      GLN  74  -0.689 -13.019  -6.989
  591    HB3  GLN  74           HB1      GLN  74  -0.218 -14.667  -6.645
  592    HG2  GLN  74           HG2      GLN  74  -0.114 -14.130  -9.048
  593    HG3  GLN  74           HG1      GLN  74  -1.248 -15.426  -8.698
  594   HE21  GLN  74          HE21      GLN  74  -3.372 -15.161  -9.244
  595   HE22  GLN  74          HE22      GLN  74  -3.944 -13.778 -10.091
  596    H    THR  75           HN       THR  75  -4.797 -14.172  -6.915
  597    HA   THR  75           HA       THR  75  -4.969 -11.396  -7.270
  598    HB   THR  75           HB       THR  75  -7.468 -12.359  -7.342
  599    HG1  THR  75           HG1      THR  75  -7.260 -14.540  -8.202
  600   HG21  THR  75          HG21      THR  75  -6.251 -11.307  -9.224
  601   HG22  THR  75          HG22      THR  75  -7.112 -12.747  -9.759
  602   HG23  THR  75          HG23      THR  75  -5.371 -12.810  -9.486
  603    H    TRP  76           HN       TRP  76  -5.035 -10.156  -5.483
  604    HA   TRP  76           HA       TRP  76  -6.163 -11.324  -3.076
  605    HB2  TRP  76           HB2      TRP  76  -4.461  -8.870  -3.531
  606    HB3  TRP  76           HB1      TRP  76  -5.226  -9.229  -1.989
  607    HD1  TRP  76           HD1      TRP  76  -2.566 -10.706  -4.377
  608    HE1  TRP  76           HE1      TRP  76  -0.926 -12.109  -2.986
  609    HE3  TRP  76           HE3      TRP  76  -4.894 -10.401   0.159
  610    HZ2  TRP  76           HZ2      TRP  76  -0.644 -12.966  -0.282
  611    HZ3  TRP  76           HZ3      TRP  76  -3.876 -11.527   2.089
  612    HH2  TRP  76           HH2      TRP  76  -1.799 -12.780   1.868
  613    H    GLY  77           HN       GLY  77  -7.565 -10.000  -1.812
  614    HA2  GLY  77           HA2      GLY  77  -8.759  -7.699  -2.860
  615    HA3  GLY  77           HA1      GLY  77  -9.758  -9.116  -3.185
  616    H    LEU  78           HN       LEU  78 -11.329  -8.472  -1.865
  617    HA   LEU  78           HA       LEU  78 -10.688  -8.178   0.978
  618    HB2  LEU  78           HB2      LEU  78 -13.092  -7.210  -0.564
  619    HB3  LEU  78           HB1      LEU  78 -12.891  -7.035   1.163
  620    HG   LEU  78           HG       LEU  78 -11.203  -5.727  -0.971
  621   HD11  LEU  78          HD11      LEU  78 -13.215  -4.576   0.952
  622   HD12  LEU  78          HD12      LEU  78 -13.420  -4.762  -0.791
  623   HD13  LEU  78          HD13      LEU  78 -12.204  -3.651  -0.161
  624   HD21  LEU  78          HD21      LEU  78 -10.152  -4.502   0.887
  625   HD22  LEU  78          HD22      LEU  78  -9.851  -6.234   0.992
  626   HD23  LEU  78          HD23      LEU  78 -11.057  -5.484   2.039
  627    H    ARG  79           HN       ARG  79 -11.751  -9.400   2.427
  628    HA   ARG  79           HA       ARG  79 -12.693 -11.895   1.450
  629    HB2  ARG  79           HB2      ARG  79 -11.226 -11.574   3.413
  630    HB3  ARG  79           HB1      ARG  79 -12.567 -10.811   4.245
  631    HG2  ARG  79           HG2      ARG  79 -13.809 -12.815   4.257
  632    HG3  ARG  79           HG1      ARG  79 -12.649 -13.607   3.185
  633    HD2  ARG  79           HD2      ARG  79 -12.243 -14.338   5.396
  634    HD3  ARG  79           HD1      ARG  79 -10.925 -13.306   4.891
  635    HE   ARG  79           HE       ARG  79 -13.087 -12.405   6.687
  636   HH11  ARG  79          HH11      ARG  79  -9.750 -12.021   5.494
  637   HH12  ARG  79          HH12      ARG  79  -9.253 -11.169   6.860
  638   HH21  ARG  79          HH21      ARG  79 -12.379 -11.239   8.533
  639   HH22  ARG  79          HH22      ARG  79 -10.781 -10.647   8.591
  640    H    SER  80           HN       SER  80 -14.078  -8.939   2.382
  641    HA   SER  80           HA       SER  80 -16.613  -9.658   3.379
  642    HB2  SER  80           HB2      SER  80 -15.864  -7.140   1.923
  643    HB3  SER  80           HB1      SER  80 -17.060  -7.345   3.204
  644    HG   SER  80           HG       SER  80 -15.319  -7.875   4.629
  645    H    TRP  81           HN       TRP  81 -15.836 -10.801   0.585
  646    HA   TRP  81           HA       TRP  81 -18.146  -9.745  -0.926
  647    HB2  TRP  81           HB2      TRP  81 -15.673 -11.071  -1.991
  648    HB3  TRP  81           HB1      TRP  81 -17.043 -10.543  -2.948
  649    HD1  TRP  81           HD1      TRP  81 -17.264  -7.625  -1.440
  650    HE1  TRP  81           HE1      TRP  81 -15.551  -5.847  -2.165
  651    HE3  TRP  81           HE3      TRP  81 -13.717 -10.715  -3.300
  652    HZ2  TRP  81           HZ2      TRP  81 -13.036  -5.759  -3.423
  653    HZ3  TRP  81           HZ3      TRP  81 -11.660  -9.721  -4.286
  654    HH2  TRP  81           HH2      TRP  81 -11.329  -7.295  -4.324
  655    H    TYR  82           HN       TYR  82 -16.611 -12.648   0.306
  656    HA   TYR  82           HA       TYR  82 -18.686 -14.230  -1.044
  657    HB2  TYR  82           HB2      TYR  82 -15.846 -15.213  -0.625
  658    HB3  TYR  82           HB1      TYR  82 -17.103 -15.955  -1.589
  659    HD1  TYR  82           HD1      TYR  82 -17.875 -14.710  -3.701
  660    HD2  TYR  82           HD2      TYR  82 -14.275 -13.705  -1.656
  661    HE1  TYR  82           HE1      TYR  82 -17.030 -13.555  -5.698
  662    HE2  TYR  82           HE2      TYR  82 -13.437 -12.597  -3.566
  663    HH   TYR  82           HH       TYR  82 -15.456 -11.695  -6.102
  Start of MODEL    7
    1    H1   GLY   2           HT1      GLY   2 -11.991   4.670  -3.767
    2    H2   GLY   2           HT2      GLY   2 -12.914   4.435  -2.351
    3    H3   GLY   2           HT3      GLY   2 -11.573   3.472  -2.653
    4    HA2  GLY   2           HA1      GLY   2 -11.441   6.379  -2.196
    5    HA3  GLY   2           HA2      GLY   2 -11.064   5.140  -1.003
    6    H    ILE   3           HN       ILE   3  -9.097   6.485  -1.130
    7    HA   ILE   3           HA       ILE   3  -6.951   6.599  -1.378
    8    HB   ILE   3           HB       ILE   3  -7.300   3.914  -1.723
    9   HG12  ILE   3          HG12      ILE   3  -4.904   3.712  -1.324
   10   HG13  ILE   3          HG11      ILE   3  -4.686   5.419  -1.719
   11   HG21  ILE   3          HG21      ILE   3  -5.600   4.790  -4.056
   12   HG22  ILE   3          HG22      ILE   3  -7.163   3.975  -4.152
   13   HG23  ILE   3          HG23      ILE   3  -5.769   3.135  -3.472
   14   HD11  ILE   3          HD11      ILE   3  -6.278   4.306   0.601
   15   HD12  ILE   3          HD12      ILE   3  -6.059   6.018   0.249
   16   HD13  ILE   3          HD13      ILE   3  -4.680   5.030   0.691
   17    H    LYS   4           HN       LYS   4  -8.543   6.213  -4.454
   18    HA   LYS   4           HA       LYS   4  -6.387   7.377  -5.977
   19    HB2  LYS   4           HB2      LYS   4  -9.255   6.758  -6.681
   20    HB3  LYS   4           HB1      LYS   4  -8.091   7.400  -7.822
   21    HG2  LYS   4           HG2      LYS   4  -6.723   5.408  -7.585
   22    HG3  LYS   4           HG1      LYS   4  -7.846   4.772  -6.377
   23    HD2  LYS   4           HD2      LYS   4  -9.642   4.765  -8.056
   24    HD3  LYS   4           HD1      LYS   4  -8.527   5.433  -9.233
   25    HE2  LYS   4           HE2      LYS   4  -8.037   2.805  -7.855
   26    HE3  LYS   4           HE1      LYS   4  -8.907   2.940  -9.379
   27    HZ1  LYS   4           HZ1      LYS   4  -6.985   3.883 -10.397
   28    HZ2  LYS   4           HZ2      LYS   4  -6.534   2.437  -9.691
   29    HZ3  LYS   4           HZ3      LYS   4  -6.110   3.900  -8.978
   30    H    GLN   5           HN       GLN   5  -7.589   8.889  -3.774
   31    HA   GLN   5           HA       GLN   5  -8.170  11.365  -5.212
   32    HB2  GLN   5           HB2      GLN   5  -9.834  11.923  -3.465
   33    HB3  GLN   5           HB1      GLN   5 -10.295  10.555  -4.465
   34    HG2  GLN   5           HG2      GLN   5  -9.533   9.037  -2.672
   35    HG3  GLN   5           HG1      GLN   5  -9.194  10.446  -1.668
   36   HE21  GLN   5          HE21      GLN   5 -11.662   8.536  -3.163
   37   HE22  GLN   5          HE22      GLN   5 -12.971   9.154  -2.230
   38    H    TYR   6           HN       TYR   6  -5.982   9.892  -3.428
   39    HA   TYR   6           HA       TYR   6  -5.498  12.188  -1.632
   40    HB2  TYR   6           HB2      TYR   6  -4.448   9.392  -1.502
   41    HB3  TYR   6           HB1      TYR   6  -3.954  10.683  -0.424
   42    HD1  TYR   6           HD1      TYR   6  -6.197  11.963   0.567
   43    HD2  TYR   6           HD2      TYR   6  -5.856   7.935  -0.635
   44    HE1  TYR   6           HE1      TYR   6  -8.088  11.399   2.009
   45    HE2  TYR   6           HE2      TYR   6  -7.754   7.329   0.797
   46    HH   TYR   6           HH       TYR   6  -9.743   9.736   2.240
   47    H    SER   7           HN       SER   7  -3.459  12.967  -1.378
   48    HA   SER   7           HA       SER   7  -1.928  12.982  -3.844
   49    HB2  SER   7           HB2      SER   7  -1.775  14.650  -1.342
   50    HB3  SER   7           HB1      SER   7  -0.921  14.984  -2.855
   51    HG   SER   7           HG       SER   7  -3.615  14.575  -3.117
   52    H    GLN   8           HN       GLN   8   0.436  13.275  -3.480
   53    HA   GLN   8           HA       GLN   8   1.465  10.769  -3.075
   54    HB2  GLN   8           HB2      GLN   8   2.375  12.423  -4.551
   55    HB3  GLN   8           HB1      GLN   8   2.843  13.423  -3.185
   56    HG2  GLN   8           HG2      GLN   8   4.296  11.578  -2.433
   57    HG3  GLN   8           HG1      GLN   8   3.830  10.741  -3.903
   58   HE21  GLN   8          HE21      GLN   8   5.471  13.650  -2.784
   59   HE22  GLN   8          HE22      GLN   8   6.387  13.885  -4.222
   60    H    GLU   9           HN       GLU   9   1.938  13.593  -0.907
   61    HA   GLU   9           HA       GLU   9   3.605  12.129   0.890
   62    HB2  GLU   9           HB2      GLU   9   2.197  14.779   1.292
   63    HB3  GLU   9           HB1      GLU   9   3.289  14.062   2.460
   64    HG2  GLU   9           HG2      GLU   9   4.513  15.705   1.243
   65    HG3  GLU   9           HG1      GLU   9   4.983  14.064   0.765
   66    H    GLU  10           HN       GLU  10   0.344  12.987   0.754
   67    HA   GLU  10           HA       GLU  10  -0.761  12.274   3.225
   68    HB2  GLU  10           HB2      GLU  10  -1.958  13.275   1.299
   69    HB3  GLU  10           HB1      GLU  10  -1.820  11.752   0.444
   70    HG2  GLU  10           HG2      GLU  10  -4.011  11.718   1.189
   71    HG3  GLU  10           HG1      GLU  10  -3.193  10.819   2.464
   72    H    LEU  11           HN       LEU  11  -0.227  10.273   0.396
   73    HA   LEU  11           HA       LEU  11  -1.144   7.840   1.503
   74    HB2  LEU  11           HB2      LEU  11   0.445   8.469  -0.940
   75    HB3  LEU  11           HB1      LEU  11  -0.192   6.882  -0.557
   76    HG   LEU  11           HG       LEU  11  -1.985   9.279  -0.773
   77   HD11  LEU  11          HD11      LEU  11  -1.212   7.346  -2.946
   78   HD12  LEU  11          HD12      LEU  11  -0.700   9.025  -2.833
   79   HD13  LEU  11          HD13      LEU  11  -2.411   8.642  -3.065
   80   HD21  LEU  11          HD21      LEU  11  -3.653   7.524  -1.226
   81   HD22  LEU  11          HD22      LEU  11  -2.901   7.337   0.353
   82   HD23  LEU  11          HD23      LEU  11  -2.409   6.301  -0.986
   83    H    LYS  12           HN       LYS  12   2.140   9.167   1.147
   84    HA   LYS  12           HA       LYS  12   3.429   6.657   1.471
   85    HB2  LYS  12           HB2      LYS  12   5.526   7.842   1.762
   86    HB3  LYS  12           HB1      LYS  12   4.599   8.560   0.452
   87    HG2  LYS  12           HG2      LYS  12   3.961  10.405   1.858
   88    HG3  LYS  12           HG1      LYS  12   4.718   9.649   3.252
   89    HD2  LYS  12           HD2      LYS  12   6.166  11.387   2.386
   90    HD3  LYS  12           HD1      LYS  12   6.905   9.809   2.140
   91    HE2  LYS  12           HE2      LYS  12   6.196   9.837  -0.189
   92    HE3  LYS  12           HE1      LYS  12   5.419  11.402   0.053
   93    HZ1  LYS  12           HZ1      LYS  12   7.588  11.696  -0.929
   94    HZ2  LYS  12           HZ2      LYS  12   8.313  10.811   0.280
   95    HZ3  LYS  12           HZ3      LYS  12   7.624  12.297   0.643
   96    H    GLU  13           HN       GLU  13   2.278   8.937   3.803
   97    HA   GLU  13           HA       GLU  13   3.624   7.446   5.873
   98    HB2  GLU  13           HB2      GLU  13   2.678   9.341   7.373
   99    HB3  GLU  13           HB1      GLU  13   4.047   9.672   6.316
  100    HG2  GLU  13           HG2      GLU  13   2.297  10.573   4.693
  101    HG3  GLU  13           HG1      GLU  13   1.185  10.506   6.064
  102    H    MET  14           HN       MET  14   1.136   6.745   4.294
  103    HA   MET  14           HA       MET  14  -0.458   5.893   6.600
  104    HB2  MET  14           HB2      MET  14  -1.115   5.957   3.645
  105    HB3  MET  14           HB1      MET  14  -2.139   5.206   4.858
  106    HG2  MET  14           HG2      MET  14  -2.437   7.378   5.935
  107    HG3  MET  14           HG1      MET  14  -1.407   8.115   4.710
  108    HE1  MET  14           HE1      MET  14  -3.345   9.859   4.306
  109    HE2  MET  14           HE2      MET  14  -4.400   9.043   5.456
  110    HE3  MET  14           HE3      MET  14  -4.989   9.424   3.838
  111    H    ALA  15           HN       ALA  15  -0.856   3.690   6.839
  112    HA   ALA  15           HA       ALA  15   1.168   1.926   5.958
  113    HB1  ALA  15           HB1      ALA  15  -1.543   1.342   7.165
  114    HB2  ALA  15           HB2      ALA  15  -0.049   1.591   8.064
  115    HB3  ALA  15           HB3      ALA  15  -0.226   0.182   7.023
  116    H    LEU  16           HN       LEU  16   1.200   0.616   4.216
  117    HA   LEU  16           HA       LEU  16  -0.657   1.374   2.249
  118    HB2  LEU  16           HB2      LEU  16   0.573   0.090   0.556
  119    HB3  LEU  16           HB1      LEU  16   1.545   1.259   1.411
  120    HG   LEU  16           HG       LEU  16   1.634  -1.722   1.909
  121   HD11  LEU  16          HD11      LEU  16   2.307  -1.214  -0.362
  122   HD12  LEU  16          HD12      LEU  16   3.729  -1.623   0.602
  123   HD13  LEU  16          HD13      LEU  16   3.379   0.060   0.216
  124   HD21  LEU  16          HD21      LEU  16   3.805  -1.198   2.965
  125   HD22  LEU  16          HD22      LEU  16   2.478  -0.417   3.808
  126   HD23  LEU  16          HD23      LEU  16   3.505   0.523   2.721
  127    H    VAL  17           HN       VAL  17  -0.820  -1.106   4.414
  128    HA   VAL  17           HA       VAL  17  -2.440  -2.825   2.837
  129    HB   VAL  17           HB       VAL  17  -1.460  -3.570   5.011
  130   HG11  VAL  17          HG11      VAL  17  -2.516  -2.951   7.142
  131   HG12  VAL  17          HG12      VAL  17  -3.484  -1.750   6.291
  132   HG13  VAL  17          HG13      VAL  17  -1.731  -1.584   6.351
  133   HG21  VAL  17          HG21      VAL  17  -4.467  -3.755   4.893
  134   HG22  VAL  17          HG22      VAL  17  -3.421  -4.799   5.854
  135   HG23  VAL  17          HG23      VAL  17  -3.316  -4.826   4.092
  136    H    GLU  18           HN       GLU  18  -3.053   0.037   4.751
  137    HA   GLU  18           HA       GLU  18  -5.876   0.058   4.524
  138    HB2  GLU  18           HB2      GLU  18  -3.862   2.270   5.060
  139    HB3  GLU  18           HB1      GLU  18  -5.604   2.475   5.200
  140    HG2  GLU  18           HG2      GLU  18  -5.706   0.865   6.989
  141    HG3  GLU  18           HG1      GLU  18  -4.007   0.468   6.779
  142    H    ILE  19           HN       ILE  19  -3.224   1.461   2.772
  143    HA   ILE  19           HA       ILE  19  -4.593   2.872   0.785
  144    HB   ILE  19           HB       ILE  19  -1.912   1.457   0.629
  145   HG12  ILE  19          HG12      ILE  19  -2.612   4.351   1.181
  146   HG13  ILE  19          HG11      ILE  19  -2.053   3.183   2.371
  147   HG21  ILE  19          HG21      ILE  19  -2.805   1.881  -1.635
  148   HG22  ILE  19          HG22      ILE  19  -1.359   2.818  -1.281
  149   HG23  ILE  19          HG23      ILE  19  -2.931   3.603  -1.244
  150   HD11  ILE  19          HD11      ILE  19   0.095   3.043   1.200
  151   HD12  ILE  19          HD12      ILE  19  -0.279   4.695   1.696
  152   HD13  ILE  19          HD13      ILE  19  -0.495   4.206   0.014
  153    H    ALA  20           HN       ALA  20  -3.377  -0.472   0.739
  154    HA   ALA  20           HA       ALA  20  -4.381  -1.164  -1.768
  155    HB1  ALA  20           HB1      ALA  20  -4.027  -3.479  -1.085
  156    HB2  ALA  20           HB2      ALA  20  -3.880  -2.971   0.597
  157    HB3  ALA  20           HB3      ALA  20  -2.672  -2.467  -0.584
  158    H    HIS  21           HN       HIS  21  -5.815  -1.514   1.453
  159    HA   HIS  21           HA       HIS  21  -8.160  -2.850   0.809
  160    HB2  HIS  21           HB2      HIS  21  -7.609  -2.448   3.100
  161    HB3  HIS  21           HB1      HIS  21  -7.576  -0.705   2.784
  162    HD1  HIS  21           HD1      HIS  21  -9.813   0.570   3.143
  163    HD2  HIS  21           HD2      HIS  21 -10.279  -3.563   3.198
  164    HE1  HIS  21           HE1      HIS  21 -12.130   0.190   3.767
  165    HE2  HIS  21           HE2      HIS  21 -12.478  -2.175   3.234
  166    H    GLU  22           HN       GLU  22  -7.611   0.649   0.843
  167    HA   GLU  22           HA       GLU  22 -10.173   1.416  -0.007
  168    HB2  GLU  22           HB2      GLU  22  -7.508   2.726  -0.151
  169    HB3  GLU  22           HB1      GLU  22  -8.993   3.546  -0.636
  170    HG2  GLU  22           HG2      GLU  22  -8.379   2.443   2.101
  171    HG3  GLU  22           HG1      GLU  22  -8.386   4.150   1.644
  172    H    LEU  23           HN       LEU  23  -7.254   0.671  -1.723
  173    HA   LEU  23           HA       LEU  23  -8.012   1.418  -4.319
  174    HB2  LEU  23           HB2      LEU  23  -5.731   0.945  -3.545
  175    HB3  LEU  23           HB1      LEU  23  -6.158  -0.727  -3.316
  176    HG   LEU  23           HG       LEU  23  -6.334  -1.036  -5.749
  177   HD11  LEU  23          HD11      LEU  23  -5.528   1.878  -5.876
  178   HD12  LEU  23          HD12      LEU  23  -7.110   1.236  -6.325
  179   HD13  LEU  23          HD13      LEU  23  -5.679   0.777  -7.245
  180   HD21  LEU  23          HD21      LEU  23  -4.244  -1.347  -4.588
  181   HD22  LEU  23          HD22      LEU  23  -3.866   0.359  -4.796
  182   HD23  LEU  23          HD23      LEU  23  -3.961  -0.704  -6.215
  183    H    PHE  24           HN       PHE  24  -8.229  -1.602  -2.547
  184    HA   PHE  24           HA       PHE  24  -9.427  -3.055  -4.621
  185    HB2  PHE  24           HB2      PHE  24  -9.005  -3.587  -1.725
  186    HB3  PHE  24           HB1      PHE  24 -10.071  -4.644  -2.647
  187    HD1  PHE  24           HD2      PHE  24  -6.691  -3.145  -2.762
  188    HD2  PHE  24           HD1      PHE  24  -9.189  -6.373  -3.819
  189    HE1  PHE  24           HE2      PHE  24  -4.753  -4.318  -3.700
  190    HE2  PHE  24           HE1      PHE  24  -7.275  -7.567  -4.767
  191    HZ   PHE  24           HZ       PHE  24  -5.058  -6.554  -4.713
  192    H    GLU  25           HN       GLU  25 -10.919  -1.404  -1.843
  193    HA   GLU  25           HA       GLU  25 -13.458  -2.202  -2.812
  194    HB2  GLU  25           HB2      GLU  25 -12.694  -0.311  -0.625
  195    HB3  GLU  25           HB1      GLU  25 -14.357  -0.365  -1.201
  196    HG2  GLU  25           HG2      GLU  25 -14.393  -2.798  -0.755
  197    HG3  GLU  25           HG1      GLU  25 -12.767  -2.656  -0.098
  198    H    GLU  26           HN       GLU  26 -11.424   0.363  -3.676
  199    HA   GLU  26           HA       GLU  26 -13.385   1.939  -5.000
  200    HB2  GLU  26           HB2      GLU  26 -11.043   2.678  -4.515
  201    HB3  GLU  26           HB1      GLU  26 -10.469   1.537  -5.718
  202    HG2  GLU  26           HG2      GLU  26 -10.487   3.753  -6.611
  203    HG3  GLU  26           HG1      GLU  26 -11.693   2.778  -7.453
  204    H    HIS  27           HN       HIS  27 -11.446  -0.852  -5.870
  205    HA   HIS  27           HA       HIS  27 -12.347  -0.985  -8.593
  206    HB2  HIS  27           HB2      HIS  27 -10.751  -2.818  -6.848
  207    HB3  HIS  27           HB1      HIS  27 -11.419  -3.424  -8.350
  208    HD1  HIS  27           HD1      HIS  27 -10.068  -3.071 -10.355
  209    HD2  HIS  27           HD2      HIS  27  -8.861  -0.582  -7.272
  210    HE1  HIS  27           HE1      HIS  27  -7.934  -2.020 -11.142
  211    HE2  HIS  27           HE2      HIS  27  -7.056  -0.866  -9.150
  212    H    LYS  28           HN       LYS  28 -13.163  -2.790  -5.628
  213    HA   LYS  28           HA       LYS  28 -14.845  -4.196  -5.053
  214    HB2  LYS  28           HB2      LYS  28 -16.343  -2.868  -7.349
  215    HB3  LYS  28           HB1      LYS  28 -17.083  -3.896  -6.121
  216    HG2  LYS  28           HG2      LYS  28 -16.657  -2.331  -4.409
  217    HG3  LYS  28           HG1      LYS  28 -15.560  -1.407  -5.427
  218    HD2  LYS  28           HD2      LYS  28 -17.518  -0.837  -6.877
  219    HD3  LYS  28           HD1      LYS  28 -18.556  -1.630  -5.692
  220    HE2  LYS  28           HE2      LYS  28 -17.965  -0.098  -3.989
  221    HE3  LYS  28           HE1      LYS  28 -16.648   0.576  -4.944
  222    HZ1  LYS  28           HZ1      LYS  28 -18.284   1.491  -6.464
  223    HZ2  LYS  28           HZ2      LYS  28 -18.538   2.033  -4.889
  224    HZ3  LYS  28           HZ3      LYS  28 -19.549   0.855  -5.529
  225    H    LYS  29           HN       LYS  29 -12.826  -4.876  -6.948
  226    HA   LYS  29           HA       LYS  29 -13.786  -7.397  -7.887
  227    HB2  LYS  29           HB2      LYS  29 -12.635  -5.280  -9.738
  228    HB3  LYS  29           HB1      LYS  29 -12.589  -6.990 -10.117
  229    HG2  LYS  29           HG2      LYS  29 -15.064  -5.308  -9.758
  230    HG3  LYS  29           HG1      LYS  29 -14.397  -5.881 -11.290
  231    HD2  LYS  29           HD2      LYS  29 -14.693  -8.228 -10.440
  232    HD3  LYS  29           HD1      LYS  29 -15.538  -7.552  -9.052
  233    HE2  LYS  29           HE2      LYS  29 -17.136  -8.288 -10.700
  234    HE3  LYS  29           HE1      LYS  29 -17.184  -6.531 -10.564
  235    HZ1  LYS  29           HZ1      LYS  29 -17.229  -7.269 -12.877
  236    HZ2  LYS  29           HZ2      LYS  29 -15.737  -8.029 -12.688
  237    HZ3  LYS  29           HZ3      LYS  29 -15.853  -6.369 -12.556
  238    HA   PRO  30           HA       PRO  30  -9.810  -8.258  -6.248
  239    HB2  PRO  30           HB2      PRO  30  -9.142 -10.558  -7.544
  240    HB3  PRO  30           HB1      PRO  30 -10.343 -10.471  -6.263
  241    HG2  PRO  30           HG2      PRO  30 -10.760 -10.547  -9.216
  242    HG3  PRO  30           HG1      PRO  30 -11.648 -11.389  -7.939
  243    HD2  PRO  30           HD2      PRO  30 -12.584  -9.133  -9.123
  244    HD3  PRO  30           HD1      PRO  30 -12.935  -9.548  -7.433
  245    H    VAL  31           HN       VAL  31  -7.606  -8.121  -6.631
  246    HA   VAL  31           HA       VAL  31  -6.798  -7.384  -9.343
  247    HB   VAL  31           HB       VAL  31  -5.983  -5.847  -6.851
  248   HG11  VAL  31          HG11      VAL  31  -5.084  -4.194  -8.412
  249   HG12  VAL  31          HG12      VAL  31  -5.534  -5.237  -9.759
  250   HG13  VAL  31          HG13      VAL  31  -4.324  -5.775  -8.594
  251   HG21  VAL  31          HG21      VAL  31  -7.962  -4.985  -8.957
  252   HG22  VAL  31          HG22      VAL  31  -7.374  -3.984  -7.630
  253   HG23  VAL  31          HG23      VAL  31  -8.349  -5.415  -7.293
  254    HA   PRO  32           HA       PRO  32  -3.427 -10.128  -8.034
  255    HB2  PRO  32           HB2      PRO  32  -2.049  -8.999 -10.404
  256    HB3  PRO  32           HB1      PRO  32  -2.411 -10.686 -10.031
  257    HG2  PRO  32           HG2      PRO  32  -3.760  -9.413 -11.940
  258    HG3  PRO  32           HG1      PRO  32  -4.575 -10.544 -10.844
  259    HD2  PRO  32           HD2      PRO  32  -4.524  -7.546 -10.764
  260    HD3  PRO  32           HD1      PRO  32  -5.890  -8.667 -10.554
  261    H    PHE  33           HN       PHE  33  -1.346  -9.840  -7.195
  262    HA   PHE  33           HA       PHE  33  -0.879  -7.580  -5.720
  263    HB2  PHE  33           HB2      PHE  33   0.084  -9.814  -5.264
  264    HB3  PHE  33           HB1      PHE  33   1.199  -9.584  -6.615
  265    HD1  PHE  33           HD2      PHE  33   3.101  -8.065  -6.403
  266    HD2  PHE  33           HD1      PHE  33   0.378  -8.648  -3.182
  267    HE1  PHE  33           HE2      PHE  33   4.702  -7.009  -4.870
  268    HE2  PHE  33           HE1      PHE  33   1.975  -7.597  -1.638
  269    HZ   PHE  33           HZ       PHE  33   4.141  -6.782  -2.466
  270    H    GLN  34           HN       GLN  34   0.638  -8.455  -8.782
  271    HA   GLN  34           HA       GLN  34   2.452  -6.307  -8.813
  272    HB2  GLN  34           HB2      GLN  34   2.171  -8.579 -10.253
  273    HB3  GLN  34           HB1      GLN  34   1.551  -7.419 -11.414
  274    HG2  GLN  34           HG2      GLN  34   4.239  -7.160 -10.078
  275    HG3  GLN  34           HG1      GLN  34   3.991  -7.975 -11.614
  276   HE21  GLN  34          HE21      GLN  34   5.525  -5.587 -10.828
  277   HE22  GLN  34          HE22      GLN  34   4.985  -4.348 -11.915
  278    H    GLU  35           HN       GLU  35  -0.927  -6.484  -9.842
  279    HA   GLU  35           HA       GLU  35  -0.695  -4.078 -11.382
  280    HB2  GLU  35           HB2      GLU  35  -3.109  -5.737 -10.675
  281    HB3  GLU  35           HB1      GLU  35  -3.163  -4.288 -11.672
  282    HG2  GLU  35           HG2      GLU  35  -1.573  -5.382 -13.241
  283    HG3  GLU  35           HG1      GLU  35  -1.718  -6.850 -12.279
  284    H    LEU  36           HN       LEU  36  -1.959  -5.023  -8.238
  285    HA   LEU  36           HA       LEU  36  -3.070  -2.495  -7.604
  286    HB2  LEU  36           HB2      LEU  36  -3.179  -3.284  -5.292
  287    HB3  LEU  36           HB1      LEU  36  -3.659  -4.577  -6.358
  288    HG   LEU  36           HG       LEU  36  -1.154  -5.354  -6.032
  289   HD11  LEU  36          HD11      LEU  36  -1.568  -3.791  -3.498
  290   HD12  LEU  36          HD12      LEU  36  -0.404  -3.436  -4.773
  291   HD13  LEU  36          HD13      LEU  36  -0.252  -4.923  -3.839
  292   HD21  LEU  36          HD21      LEU  36  -3.263  -5.724  -3.918
  293   HD22  LEU  36          HD22      LEU  36  -1.825  -6.713  -4.097
  294   HD23  LEU  36          HD23      LEU  36  -3.044  -6.698  -5.375
  295    H    LEU  37           HN       LEU  37   0.043  -3.910  -7.343
  296    HA   LEU  37           HA       LEU  37   1.424  -2.129  -5.732
  297    HB2  LEU  37           HB2      LEU  37   2.130  -4.357  -6.462
  298    HB3  LEU  37           HB1      LEU  37   2.332  -3.752  -8.085
  299    HG   LEU  37           HG       LEU  37   4.142  -2.290  -7.278
  300   HD11  LEU  37          HD11      LEU  37   3.758  -3.798  -4.688
  301   HD12  LEU  37          HD12      LEU  37   3.380  -2.095  -4.948
  302   HD13  LEU  37          HD13      LEU  37   5.047  -2.648  -5.056
  303   HD21  LEU  37          HD21      LEU  37   4.566  -4.485  -8.256
  304   HD22  LEU  37          HD22      LEU  37   4.427  -5.227  -6.662
  305   HD23  LEU  37          HD23      LEU  37   5.744  -4.107  -7.003
  306    H    ASN  38           HN       ASN  38   1.021  -2.251  -9.234
  307    HA   ASN  38           HA       ASN  38   2.518   0.040  -9.842
  308    HB2  ASN  38           HB2      ASN  38   0.397  -1.454 -11.355
  309    HB3  ASN  38           HB1      ASN  38   1.095   0.025 -12.009
  310   HD21  ASN  38          HD21      ASN  38   1.231  -2.769 -12.940
  311   HD22  ASN  38          HD22      ASN  38   2.903  -3.151 -13.030
  312    H    GLU  39           HN       GLU  39  -0.922  -0.368  -9.144
  313    HA   GLU  39           HA       GLU  39  -1.596   2.314  -9.705
  314    HB2  GLU  39           HB2      GLU  39  -2.980   0.353  -7.884
  315    HB3  GLU  39           HB1      GLU  39  -3.636   1.914  -8.345
  316    HG2  GLU  39           HG2      GLU  39  -3.518   1.146 -10.726
  317    HG3  GLU  39           HG1      GLU  39  -3.105  -0.452 -10.108
  318    H    ILE  40           HN       ILE  40  -0.627   0.695  -6.722
  319    HA   ILE  40           HA       ILE  40  -0.936   2.855  -4.982
  320    HB   ILE  40           HB       ILE  40   1.141   0.634  -4.874
  321   HG12  ILE  40          HG12      ILE  40  -1.483   0.981  -3.395
  322   HG13  ILE  40          HG11      ILE  40  -1.202  -0.124  -4.732
  323   HG21  ILE  40          HG21      ILE  40   0.390   2.611  -2.709
  324   HG22  ILE  40          HG22      ILE  40   1.934   2.530  -3.557
  325   HG23  ILE  40          HG23      ILE  40   1.443   1.212  -2.494
  326   HD11  ILE  40          HD11      ILE  40   0.118  -0.251  -2.027
  327   HD12  ILE  40          HD12      ILE  40   0.399  -1.367  -3.363
  328   HD13  ILE  40          HD13      ILE  40  -1.189  -1.287  -2.598
  329    H    ALA  41           HN       ALA  41   1.906   1.899  -6.866
  330    HA   ALA  41           HA       ALA  41   3.527   4.057  -6.101
  331    HB1  ALA  41           HB1      ALA  41   4.361   1.994  -7.143
  332    HB2  ALA  41           HB2      ALA  41   4.988   3.477  -7.841
  333    HB3  ALA  41           HB3      ALA  41   3.734   2.559  -8.702
  334    H    SER  42           HN       SER  42   1.046   3.844  -8.487
  335    HA   SER  42           HA       SER  42   1.913   6.132  -9.863
  336    HB2  SER  42           HB2      SER  42  -0.834   4.863  -9.845
  337    HB3  SER  42           HB1      SER  42  -0.283   6.076 -10.999
  338    HG   SER  42           HG       SER  42   1.023   3.582 -10.609
  339    H    LEU  43           HN       LEU  43  -0.726   5.625  -7.485
  340    HA   LEU  43           HA       LEU  43  -1.361   8.413  -7.324
  341    HB2  LEU  43           HB2      LEU  43  -2.041   6.105  -5.496
  342    HB3  LEU  43           HB1      LEU  43  -2.486   7.745  -5.107
  343    HG   LEU  43           HG       LEU  43  -4.392   6.651  -5.956
  344   HD11  LEU  43          HD11      LEU  43  -5.008   7.994  -7.884
  345   HD12  LEU  43          HD12      LEU  43  -3.324   8.454  -8.103
  346   HD13  LEU  43          HD13      LEU  43  -4.186   8.940  -6.643
  347   HD21  LEU  43          HD21      LEU  43  -3.340   4.808  -7.146
  348   HD22  LEU  43          HD22      LEU  43  -2.808   5.914  -8.414
  349   HD23  LEU  43          HD23      LEU  43  -4.531   5.621  -8.159
  350    H    LEU  44           HN       LEU  44   0.452   6.219  -5.274
  351    HA   LEU  44           HA       LEU  44   1.416   8.364  -3.602
  352    HB2  LEU  44           HB2      LEU  44   0.725   6.096  -2.738
  353    HB3  LEU  44           HB1      LEU  44   1.981   5.372  -3.695
  354    HG   LEU  44           HG       LEU  44   2.542   7.253  -1.391
  355   HD11  LEU  44          HD11      LEU  44   2.969   5.195  -0.098
  356   HD12  LEU  44          HD12      LEU  44   2.410   4.234  -1.467
  357   HD13  LEU  44          HD13      LEU  44   1.284   5.287  -0.611
  358   HD21  LEU  44          HD21      LEU  44   4.363   6.940  -2.952
  359   HD22  LEU  44          HD22      LEU  44   4.192   5.201  -2.836
  360   HD23  LEU  44          HD23      LEU  44   4.724   6.131  -1.424
  361    H    GLY  45           HN       GLY  45   2.668   9.587  -4.847
  362    HA2  GLY  45           HA2      GLY  45   4.117   8.868  -7.125
  363    HA3  GLY  45           HA1      GLY  45   4.378  10.330  -6.207
  364    H    VAL  46           HN       VAL  46   5.333   7.018  -6.623
  365    HA   VAL  46           HA       VAL  46   8.061   7.659  -5.750
  366    HB   VAL  46           HB       VAL  46   8.213   5.392  -4.727
  367   HG11  VAL  46          HG11      VAL  46   8.077   7.290  -3.272
  368   HG12  VAL  46          HG12      VAL  46   7.095   5.990  -2.591
  369   HG13  VAL  46          HG13      VAL  46   6.327   7.340  -3.429
  370   HG21  VAL  46          HG21      VAL  46   5.208   5.460  -5.018
  371   HG22  VAL  46          HG22      VAL  46   6.067   4.295  -4.013
  372   HG23  VAL  46          HG23      VAL  46   6.313   4.321  -5.763
  373    H    LYS  47           HN       LYS  47   9.606   6.076  -6.546
  374    HA   LYS  47           HA       LYS  47   8.676   4.858  -9.009
  375    HB2  LYS  47           HB2      LYS  47  11.029   4.254  -9.443
  376    HB3  LYS  47           HB1      LYS  47  10.877   5.967  -9.114
  377    HG2  LYS  47           HG2      LYS  47  11.811   5.678  -6.919
  378    HG3  LYS  47           HG1      LYS  47  11.803   3.921  -7.108
  379    HD2  LYS  47           HD2      LYS  47  13.367   4.097  -8.966
  380    HD3  LYS  47           HD1      LYS  47  13.356   5.851  -8.830
  381    HE2  LYS  47           HE2      LYS  47  14.394   5.738  -6.675
  382    HE3  LYS  47           HE1      LYS  47  14.251   3.982  -6.645
  383    HZ1  LYS  47           HZ1      LYS  47  15.905   5.552  -8.555
  384    HZ2  LYS  47           HZ2      LYS  47  15.715   3.886  -8.585
  385    HZ3  LYS  47           HZ3      LYS  47  16.492   4.622  -7.276
  386    H    LYS  48           HN       LYS  48   9.173   2.521  -9.352
  387    HA   LYS  48           HA       LYS  48   8.004   1.292  -7.123
  388    HB2  LYS  48           HB2      LYS  48   7.289   0.725  -9.402
  389    HB3  LYS  48           HB1      LYS  48   8.842  -0.045  -9.684
  390    HG2  LYS  48           HG2      LYS  48   8.301  -1.894  -8.481
  391    HG3  LYS  48           HG1      LYS  48   7.319  -0.992  -7.337
  392    HD2  LYS  48           HD2      LYS  48   5.861  -2.446  -8.546
  393    HD3  LYS  48           HD1      LYS  48   5.549  -0.815  -9.105
  394    HE2  LYS  48           HE2      LYS  48   7.222  -2.879 -10.552
  395    HE3  LYS  48           HE1      LYS  48   5.530  -2.516 -10.876
  396    HZ1  LYS  48           HZ1      LYS  48   6.920  -1.432 -12.447
  397    HZ2  LYS  48           HZ2      LYS  48   7.836  -0.693 -11.266
  398    HZ3  LYS  48           HZ3      LYS  48   6.209  -0.241 -11.487
  399    H    GLU  49           HN       GLU  49  11.255   1.503  -8.128
  400    HA   GLU  49           HA       GLU  49  12.403  -0.620  -6.696
  401    HB2  GLU  49           HB2      GLU  49  13.403   2.171  -7.091
  402    HB3  GLU  49           HB1      GLU  49  14.355   0.912  -6.324
  403    HG2  GLU  49           HG2      GLU  49  14.308  -0.373  -8.359
  404    HG3  GLU  49           HG1      GLU  49  13.293   0.856  -9.125
  405    H    GLU  50           HN       GLU  50  11.693   2.684  -5.475
  406    HA   GLU  50           HA       GLU  50  12.565   2.074  -2.837
  407    HB2  GLU  50           HB2      GLU  50  11.605   4.296  -2.225
  408    HB3  GLU  50           HB1      GLU  50  12.611   4.394  -3.659
  409    HG2  GLU  50           HG2      GLU  50  10.499   4.276  -5.013
  410    HG3  GLU  50           HG1      GLU  50   9.619   4.431  -3.499
  411    H    LEU  51           HN       LEU  51   9.443   2.156  -4.425
  412    HA   LEU  51           HA       LEU  51   7.930   1.339  -2.184
  413    HB2  LEU  51           HB2      LEU  51   6.865   2.319  -4.160
  414    HB3  LEU  51           HB1      LEU  51   7.437   0.992  -5.136
  415    HG   LEU  51           HG       LEU  51   5.967  -0.543  -3.831
  416   HD11  LEU  51          HD11      LEU  51   5.701   0.685  -1.814
  417   HD12  LEU  51          HD12      LEU  51   4.118   0.440  -2.557
  418   HD13  LEU  51          HD13      LEU  51   4.912   2.012  -2.666
  419   HD21  LEU  51          HD21      LEU  51   5.301   0.315  -6.004
  420   HD22  LEU  51          HD22      LEU  51   4.588   1.731  -5.210
  421   HD23  LEU  51          HD23      LEU  51   3.912   0.130  -4.932
  422    H    GLY  52           HN       GLY  52  10.283  -0.177  -4.000
  423    HA2  GLY  52           HA2      GLY  52   9.353  -2.883  -4.005
  424    HA3  GLY  52           HA1      GLY  52  10.948  -2.299  -4.459
  425    H    ASP  53           HN       ASP  53  11.682  -0.997  -2.151
  426    HA   ASP  53           HA       ASP  53  12.489  -3.072  -0.374
  427    HB2  ASP  53           HB2      ASP  53  12.027  -0.175   0.462
  428    HB3  ASP  53           HB1      ASP  53  13.183  -1.301   1.145
  429    H    ARG  54           HN       ARG  54   9.994  -0.702  -0.417
  430    HA   ARG  54           HA       ARG  54   8.557  -1.464   1.867
  431    HB2  ARG  54           HB2      ARG  54   8.445   0.740   0.841
  432    HB3  ARG  54           HB1      ARG  54   7.774   0.044  -0.616
  433    HG2  ARG  54           HG2      ARG  54   5.723  -0.445   0.501
  434    HG3  ARG  54           HG1      ARG  54   6.403   0.051   2.054
  435    HD2  ARG  54           HD2      ARG  54   6.253   1.876  -0.318
  436    HD3  ARG  54           HD1      ARG  54   4.941   1.806   0.834
  437    HE   ARG  54           HE       ARG  54   7.698   2.750   1.275
  438   HH11  ARG  54          HH11      ARG  54   4.324   2.616   2.443
  439   HH12  ARG  54          HH12      ARG  54   4.563   3.751   3.686
  440   HH21  ARG  54          HH21      ARG  54   7.990   4.337   3.000
  441   HH22  ARG  54          HH22      ARG  54   6.700   4.740   4.014
  442    H    ILE  55           HN       ILE  55   8.697  -2.920  -1.295
  443    HA   ILE  55           HA       ILE  55   6.182  -4.301  -1.294
  444    HB   ILE  55           HB       ILE  55   8.742  -4.846  -2.852
  445   HG12  ILE  55          HG12      ILE  55   6.054  -3.924  -3.815
  446   HG13  ILE  55          HG11      ILE  55   7.415  -2.849  -3.532
  447   HG21  ILE  55          HG21      ILE  55   7.516  -6.467  -4.220
  448   HG22  ILE  55          HG22      ILE  55   6.129  -6.314  -3.142
  449   HG23  ILE  55          HG23      ILE  55   7.645  -6.981  -2.536
  450   HD11  ILE  55          HD11      ILE  55   7.277  -3.289  -5.879
  451   HD12  ILE  55          HD12      ILE  55   7.161  -5.023  -5.596
  452   HD13  ILE  55          HD13      ILE  55   8.676  -4.195  -5.285
  453    H    ALA  56           HN       ALA  56   9.458  -5.048  -0.310
  454    HA   ALA  56           HA       ALA  56   9.041  -7.750   0.341
  455    HB1  ALA  56           HB1      ALA  56  11.280  -6.752   0.166
  456    HB2  ALA  56           HB2      ALA  56  11.053  -7.527   1.734
  457    HB3  ALA  56           HB3      ALA  56  10.954  -5.770   1.594
  458    H    GLN  57           HN       GLN  57   8.949  -4.808   2.295
  459    HA   GLN  57           HA       GLN  57   7.984  -6.047   4.606
  460    HB2  GLN  57           HB2      GLN  57   8.634  -3.439   3.854
  461    HB3  GLN  57           HB1      GLN  57   6.945  -3.369   4.343
  462    HG2  GLN  57           HG2      GLN  57   9.220  -4.454   5.986
  463    HG3  GLN  57           HG1      GLN  57   8.424  -2.898   6.199
  464   HE21  GLN  57          HE21      GLN  57   8.135  -6.373   6.607
  465   HE22  GLN  57          HE22      GLN  57   6.775  -6.295   7.661
  466    H    PHE  58           HN       PHE  58   6.280  -4.763   1.802
  467    HA   PHE  58           HA       PHE  58   3.721  -4.977   2.946
  468    HB2  PHE  58           HB2      PHE  58   4.239  -3.562   0.960
  469    HB3  PHE  58           HB1      PHE  58   4.366  -5.027   0.000
  470    HD1  PHE  58           HD1      PHE  58   1.902  -3.854   2.559
  471    HD2  PHE  58           HD2      PHE  58   2.561  -5.208  -1.419
  472    HE1  PHE  58           HE1      PHE  58  -0.512  -3.757   2.136
  473    HE2  PHE  58           HE2      PHE  58   0.143  -5.118  -1.845
  474    HZ   PHE  58           HZ       PHE  58  -1.396  -4.391  -0.071
  475    H    TYR  59           HN       TYR  59   5.695  -7.289   1.162
  476    HA   TYR  59           HA       TYR  59   3.773  -9.293   0.825
  477    HB2  TYR  59           HB2      TYR  59   6.724  -9.479   1.379
  478    HB3  TYR  59           HB1      TYR  59   5.747 -10.933   1.249
  479    HD1  TYR  59           HD2      TYR  59   4.051 -10.369  -1.071
  480    HD2  TYR  59           HD1      TYR  59   8.141  -9.406  -0.408
  481    HE1  TYR  59           HE2      TYR  59   4.446 -10.383  -3.499
  482    HE2  TYR  59           HE1      TYR  59   8.544  -9.423  -2.832
  483    HH   TYR  59           HH       TYR  59   7.514 -10.467  -4.841
  484    H    THR  60           HN       THR  60   5.890  -8.622   3.593
  485    HA   THR  60           HA       THR  60   4.882 -10.614   5.291
  486    HB   THR  60           HB       THR  60   5.909  -7.906   6.120
  487    HG1  THR  60           HG1      THR  60   7.907  -8.617   5.610
  488   HG21  THR  60          HG21      THR  60   6.166 -10.665   7.355
  489   HG22  THR  60          HG22      THR  60   5.085  -9.394   7.922
  490   HG23  THR  60          HG23      THR  60   6.831  -9.170   8.016
  491    H    ASP  61           HN       ASP  61   4.121  -7.167   5.087
  492    HA   ASP  61           HA       ASP  61   2.260  -6.905   7.116
  493    HB2  ASP  61           HB2      ASP  61   3.388  -5.047   6.006
  494    HB3  ASP  61           HB1      ASP  61   2.512  -5.397   4.524
  495    H    LEU  62           HN       LEU  62   1.675  -7.465   3.682
  496    HA   LEU  62           HA       LEU  62  -1.145  -7.501   3.859
  497    HB2  LEU  62           HB2      LEU  62   0.203  -6.988   1.835
  498    HB3  LEU  62           HB1      LEU  62   0.668  -8.668   1.752
  499    HG   LEU  62           HG       LEU  62  -1.687  -9.279   1.340
  500   HD11  LEU  62          HD11      LEU  62  -2.760  -7.413   2.480
  501   HD12  LEU  62          HD12      LEU  62  -3.283  -7.501   0.800
  502   HD13  LEU  62          HD13      LEU  62  -2.097  -6.293   1.292
  503   HD21  LEU  62          HD21      LEU  62  -0.558  -7.191  -0.519
  504   HD22  LEU  62          HD22      LEU  62  -1.789  -8.385  -0.931
  505   HD23  LEU  62          HD23      LEU  62  -0.157  -8.909  -0.520
  506    H    ASN  63           HN       ASN  63   1.332  -9.948   4.135
  507    HA   ASN  63           HA       ASN  63  -0.459 -12.171   3.892
  508    HB2  ASN  63           HB2      ASN  63   1.962 -12.292   3.307
  509    HB3  ASN  63           HB1      ASN  63   2.348 -12.130   5.013
  510   HD21  ASN  63          HD21      ASN  63   1.084 -14.175   2.547
  511   HD22  ASN  63          HD22      ASN  63   1.059 -15.636   3.450
  512    H    ILE  64           HN       ILE  64   0.804 -10.274   6.569
  513    HA   ILE  64           HA       ILE  64  -0.310 -12.139   8.486
  514    HB   ILE  64           HB       ILE  64   0.494 -10.621  10.255
  515   HG12  ILE  64          HG12      ILE  64   1.529  -8.900   7.981
  516   HG13  ILE  64          HG11      ILE  64   0.197  -8.476   9.047
  517   HG21  ILE  64          HG21      ILE  64   2.552 -11.260   8.152
  518   HG22  ILE  64          HG22      ILE  64   1.981 -12.338   9.428
  519   HG23  ILE  64          HG23      ILE  64   2.902 -10.891   9.841
  520   HD11  ILE  64          HD11      ILE  64   3.071  -8.856   9.865
  521   HD12  ILE  64          HD12      ILE  64   1.744  -8.431  10.945
  522   HD13  ILE  64          HD13      ILE  64   2.236  -7.314   9.671
  523    H    ASP  65           HN       ASP  65  -1.425  -9.502   6.746
  524    HA   ASP  65           HA       ASP  65  -3.326  -8.514   8.621
  525    HB2  ASP  65           HB2      ASP  65  -2.632  -7.062   6.829
  526    HB3  ASP  65           HB1      ASP  65  -3.143  -8.237   5.617
  527    H    GLY  66           HN       GLY  66  -5.501  -8.898   8.767
  528    HA2  GLY  66           HA2      GLY  66  -6.402 -11.425   7.515
  529    HA3  GLY  66           HA1      GLY  66  -6.903 -10.883   9.135
  530    H    ARG  67           HN       ARG  67  -6.744  -8.367   6.867
  531    HA   ARG  67           HA       ARG  67  -9.661  -8.233   6.727
  532    HB2  ARG  67           HB2      ARG  67  -7.555  -6.259   5.808
  533    HB3  ARG  67           HB1      ARG  67  -9.277  -5.948   5.976
  534    HG2  ARG  67           HG2      ARG  67  -9.126  -6.157   8.375
  535    HG3  ARG  67           HG1      ARG  67  -7.427  -6.623   8.249
  536    HD2  ARG  67           HD2      ARG  67  -7.615  -4.296   8.882
  537    HD3  ARG  67           HD1      ARG  67  -6.921  -4.434   7.266
  538    HE   ARG  67           HE       ARG  67  -9.779  -4.111   7.303
  539   HH11  ARG  67          HH11      ARG  67  -6.694  -2.310   7.214
  540   HH12  ARG  67          HH12      ARG  67  -7.468  -0.941   6.519
  541   HH21  ARG  67          HH21      ARG  67 -10.678  -2.326   6.496
  542   HH22  ARG  67          HH22      ARG  67  -9.762  -0.890   6.155
  543    H    PHE  68           HN       PHE  68  -6.751  -8.447   4.883
  544    HA   PHE  68           HA       PHE  68  -8.055  -8.776   2.359
  545    HB2  PHE  68           HB2      PHE  68  -5.317  -8.536   3.354
  546    HB3  PHE  68           HB1      PHE  68  -5.501  -9.675   2.023
  547    HD1  PHE  68           HD1      PHE  68  -5.846  -6.152   3.044
  548    HD2  PHE  68           HD2      PHE  68  -6.032  -8.959  -0.141
  549    HE1  PHE  68           HE1      PHE  68  -5.838  -4.309   1.402
  550    HE2  PHE  68           HE2      PHE  68  -6.025  -7.145  -1.766
  551    HZ   PHE  68           HZ       PHE  68  -5.933  -4.846  -1.038
  552    H    LEU  69           HN       LEU  69  -7.378 -10.678   1.052
  553    HA   LEU  69           HA       LEU  69  -6.815 -13.154   2.363
  554    HB2  LEU  69           HB2      LEU  69  -9.336 -12.870   2.661
  555    HB3  LEU  69           HB1      LEU  69  -9.431 -12.723   0.942
  556    HG   LEU  69           HG       LEU  69  -8.635 -15.014   0.623
  557   HD11  LEU  69          HD11      LEU  69  -7.219 -15.264   2.551
  558   HD12  LEU  69          HD12      LEU  69  -8.439 -16.538   2.533
  559   HD13  LEU  69          HD13      LEU  69  -8.612 -15.165   3.627
  560   HD21  LEU  69          HD21      LEU  69 -11.028 -14.608   0.817
  561   HD22  LEU  69          HD22      LEU  69 -10.931 -14.835   2.564
  562   HD23  LEU  69          HD23      LEU  69 -10.589 -16.180   1.479
  563    H    ALA  70           HN       ALA  70  -5.508 -14.163   0.820
  564    HA   ALA  70           HA       ALA  70  -5.749 -13.393  -1.934
  565    HB1  ALA  70           HB1      ALA  70  -4.402 -15.426  -2.441
  566    HB2  ALA  70           HB2      ALA  70  -4.357 -15.821  -0.736
  567    HB3  ALA  70           HB3      ALA  70  -3.563 -14.342  -1.327
  568    H    LEU  71           HN       LEU  71  -7.370 -13.928  -3.044
  569    HA   LEU  71           HA       LEU  71  -9.205 -15.997  -2.411
  570    HB2  LEU  71           HB2      LEU  71  -8.585 -14.903  -5.181
  571    HB3  LEU  71           HB1      LEU  71 -10.094 -15.598  -4.623
  572    HG   LEU  71           HG       LEU  71  -8.930 -12.917  -3.920
  573   HD11  LEU  71          HD11      LEU  71  -9.805 -13.020  -6.147
  574   HD12  LEU  71          HD12      LEU  71 -10.874 -12.072  -5.110
  575   HD13  LEU  71          HD13      LEU  71 -11.311 -13.720  -5.552
  576   HD21  LEU  71          HD21      LEU  71 -10.975 -12.468  -2.757
  577   HD22  LEU  71          HD22      LEU  71 -10.163 -13.850  -2.006
  578   HD23  LEU  71          HD23      LEU  71 -11.567 -14.096  -3.065
  579    H    SER  72           HN       SER  72  -9.032 -18.179  -3.129
  580    HA   SER  72           HA       SER  72  -6.590 -19.389  -3.129
  581    HB2  SER  72           HB2      SER  72  -9.100 -20.456  -4.338
  582    HB3  SER  72           HB1      SER  72  -7.847 -21.336  -3.441
  583    HG   SER  72           HG       SER  72  -8.484 -20.421  -1.602
  584    H    ASP  73           HN       ASP  73  -7.173 -17.511  -5.542
  585    HA   ASP  73           HA       ASP  73  -6.154 -19.291  -7.516
  586    HB2  ASP  73           HB2      ASP  73  -8.516 -18.908  -7.971
  587    HB3  ASP  73           HB1      ASP  73  -8.280 -17.178  -7.895
  588    H    GLN  74           HN       GLN  74  -4.959 -17.332  -5.636
  589    HA   GLN  74           HA       GLN  74  -2.930 -16.336  -5.592
  590    HB2  GLN  74           HB2      GLN  74  -2.905 -16.871  -8.580
  591    HB3  GLN  74           HB1      GLN  74  -1.580 -16.085  -7.748
  592    HG2  GLN  74           HG2      GLN  74  -1.091 -18.435  -8.148
  593    HG3  GLN  74           HG1      GLN  74  -1.205 -18.117  -6.424
  594   HE21  GLN  74          HE21      GLN  74  -2.909 -18.988  -5.274
  595   HE22  GLN  74          HE22      GLN  74  -3.948 -20.199  -5.883
  596    H    THR  75           HN       THR  75  -5.397 -15.086  -5.998
  597    HA   THR  75           HA       THR  75  -4.497 -12.468  -7.049
  598    HB   THR  75           HB       THR  75  -7.371 -13.377  -6.865
  599    HG1  THR  75           HG1      THR  75  -5.387 -14.049  -8.710
  600   HG21  THR  75          HG21      THR  75  -7.673 -11.688  -8.588
  601   HG22  THR  75          HG22      THR  75  -5.933 -11.356  -8.553
  602   HG23  THR  75          HG23      THR  75  -6.931 -11.000  -7.134
  603    H    TRP  76           HN       TRP  76  -4.972 -10.632  -5.596
  604    HA   TRP  76           HA       TRP  76  -5.743 -11.539  -2.978
  605    HB2  TRP  76           HB2      TRP  76  -4.349  -9.054  -3.968
  606    HB3  TRP  76           HB1      TRP  76  -4.943  -9.219  -2.319
  607    HD1  TRP  76           HD1      TRP  76  -2.189 -10.510  -4.647
  608    HE1  TRP  76           HE1      TRP  76  -0.419 -11.726  -3.232
  609    HE3  TRP  76           HE3      TRP  76  -4.634 -10.523  -0.166
  610    HZ2  TRP  76           HZ2      TRP  76  -0.108 -12.595  -0.496
  611    HZ3  TRP  76           HZ3      TRP  76  -3.549 -11.543   1.773
  612    HH2  TRP  76           HH2      TRP  76  -1.335 -12.556   1.605
  613    H    GLY  77           HN       GLY  77  -7.335 -10.491  -1.813
  614    HA2  GLY  77           HA2      GLY  77  -8.889  -8.447  -3.014
  615    HA3  GLY  77           HA1      GLY  77  -9.693 -10.016  -2.974
  616    H    LEU  78           HN       LEU  78 -10.995  -8.359  -1.588
  617    HA   LEU  78           HA       LEU  78  -9.927  -8.338   1.103
  618    HB2  LEU  78           HB2      LEU  78 -12.257  -6.900  -0.110
  619    HB3  LEU  78           HB1      LEU  78 -11.878  -6.865   1.603
  620    HG   LEU  78           HG       LEU  78 -10.039  -5.889  -0.580
  621   HD11  LEU  78          HD11      LEU  78 -12.016  -4.520  -0.381
  622   HD12  LEU  78          HD12      LEU  78 -10.596  -3.673   0.243
  623   HD13  LEU  78          HD13      LEU  78 -11.770  -4.379   1.360
  624   HD21  LEU  78          HD21      LEU  78  -8.836  -6.678   1.370
  625   HD22  LEU  78          HD22      LEU  78  -9.881  -5.733   2.423
  626   HD23  LEU  78          HD23      LEU  78  -8.790  -4.916   1.302
  627    H    ARG  79           HN       ARG  79 -10.812  -9.252   2.744
  628    HA   ARG  79           HA       ARG  79 -12.243 -11.659   2.267
  629    HB2  ARG  79           HB2      ARG  79 -10.408 -10.891   3.952
  630    HB3  ARG  79           HB1      ARG  79 -11.782 -10.414   4.918
  631    HG2  ARG  79           HG2      ARG  79 -12.550 -12.663   5.047
  632    HG3  ARG  79           HG1      ARG  79 -11.312 -13.194   3.890
  633    HD2  ARG  79           HD2      ARG  79  -9.659 -12.112   5.444
  634    HD3  ARG  79           HD1      ARG  79 -10.940 -12.107   6.649
  635    HE   ARG  79           HE       ARG  79 -11.019 -14.557   6.321
  636   HH11  ARG  79          HH11      ARG  79  -8.019 -12.711   5.512
  637   HH12  ARG  79          HH12      ARG  79  -6.982 -13.976   5.914
  638   HH21  ARG  79          HH21      ARG  79  -9.534 -16.285   6.735
  639   HH22  ARG  79          HH22      ARG  79  -7.808 -16.061   6.562
  640    H    SER  80           HN       SER  80 -12.965  -8.418   3.223
  641    HA   SER  80           HA       SER  80 -15.517  -8.909   4.408
  642    HB2  SER  80           HB2      SER  80 -14.316  -6.321   3.451
  643    HB3  SER  80           HB1      SER  80 -15.503  -6.562   4.740
  644    HG   SER  80           HG       SER  80 -13.761  -6.489   5.893
  645    H    TRP  81           HN       TRP  81 -14.491  -9.057   1.277
  646    HA   TRP  81           HA       TRP  81 -16.626  -7.629  -0.043
  647    HB2  TRP  81           HB2      TRP  81 -14.483  -9.485  -0.947
  648    HB3  TRP  81           HB1      TRP  81 -15.832  -9.111  -1.998
  649    HD1  TRP  81           HD1      TRP  81 -15.497  -5.898  -0.647
  650    HE1  TRP  81           HE1      TRP  81 -13.845  -4.466  -1.985
  651    HE3  TRP  81           HE3      TRP  81 -13.029  -9.646  -3.093
  652    HZ2  TRP  81           HZ2      TRP  81 -11.776  -4.890  -3.862
  653    HZ3  TRP  81           HZ3      TRP  81 -11.253  -9.041  -4.649
  654    HH2  TRP  81           HH2      TRP  81 -10.641  -6.718  -5.026
  655    H    TYR  82           HN       TYR  82 -15.665 -10.981   0.161
  656    HA   TYR  82           HA       TYR  82 -18.190 -11.799  -0.994
  657    HB2  TYR  82           HB2      TYR  82 -15.800 -13.444  -0.123
  658    HB3  TYR  82           HB1      TYR  82 -17.124 -13.995  -1.132
  659    HD1  TYR  82           HD1      TYR  82 -17.309 -13.215  -3.464
  660    HD2  TYR  82           HD2      TYR  82 -14.025 -12.150  -1.002
  661    HE1  TYR  82           HE1      TYR  82 -16.029 -12.558  -5.453
  662    HE2  TYR  82           HE2      TYR  82 -12.736 -11.518  -2.923
  663    HH   TYR  82           HH       TYR  82 -12.697 -11.957  -5.347
  Start of MODEL    8
    1    H1   GLY   2           HT1      GLY   2 -11.014   3.659  -2.888
    2    H2   GLY   2           HT2      GLY   2 -12.634   4.103  -2.643
    3    H3   GLY   2           HT3      GLY   2 -11.486   4.347  -1.432
    4    HA2  GLY   2           HA1      GLY   2 -11.437   5.757  -4.053
    5    HA3  GLY   2           HA2      GLY   2 -12.031   6.424  -2.540
    6    H    ILE   3           HN       ILE   3  -9.330   5.415  -4.360
    7    HA   ILE   3           HA       ILE   3  -7.613   6.459  -2.218
    8    HB   ILE   3           HB       ILE   3  -7.319   4.077  -2.496
    9   HG12  ILE   3          HG12      ILE   3  -5.015   5.704  -3.577
   10   HG13  ILE   3          HG11      ILE   3  -5.364   5.336  -1.904
   11   HG21  ILE   3          HG21      ILE   3  -6.517   3.080  -4.581
   12   HG22  ILE   3          HG22      ILE   3  -6.725   4.646  -5.377
   13   HG23  ILE   3          HG23      ILE   3  -8.126   3.803  -4.716
   14   HD11  ILE   3          HD11      ILE   3  -4.933   3.007  -2.264
   15   HD12  ILE   3          HD12      ILE   3  -3.552   3.984  -2.790
   16   HD13  ILE   3          HD13      ILE   3  -4.658   3.303  -3.984
   17    H    LYS   4           HN       LYS   4  -8.471   6.532  -5.599
   18    HA   LYS   4           HA       LYS   4  -6.157   7.973  -6.486
   19    HB2  LYS   4           HB2      LYS   4  -8.816   7.586  -7.840
   20    HB3  LYS   4           HB1      LYS   4  -7.340   8.159  -8.605
   21    HG2  LYS   4           HG2      LYS   4  -6.271   6.000  -8.022
   22    HG3  LYS   4           HG1      LYS   4  -7.838   5.443  -7.435
   23    HD2  LYS   4           HD2      LYS   4  -8.788   5.877  -9.642
   24    HD3  LYS   4           HD1      LYS   4  -7.202   6.347 -10.230
   25    HE2  LYS   4           HE2      LYS   4  -8.127   3.656  -9.277
   26    HE3  LYS   4           HE1      LYS   4  -7.531   4.109 -10.876
   27    HZ1  LYS   4           HZ1      LYS   4  -5.879   2.874  -9.694
   28    HZ2  LYS   4           HZ2      LYS   4  -5.976   3.900  -8.373
   29    HZ3  LYS   4           HZ3      LYS   4  -5.293   4.470  -9.798
   30    H    GLN   5           HN       GLN   5  -7.574   9.183  -4.348
   31    HA   GLN   5           HA       GLN   5  -7.972  11.829  -5.514
   32    HB2  GLN   5           HB2      GLN   5  -9.728  12.244  -3.770
   33    HB3  GLN   5           HB1      GLN   5 -10.195  11.110  -5.025
   34    HG2  GLN   5           HG2      GLN   5  -9.646   9.255  -3.493
   35    HG3  GLN   5           HG1      GLN   5  -9.303  10.430  -2.229
   36   HE21  GLN   5          HE21      GLN   5 -11.742   9.007  -4.224
   37   HE22  GLN   5          HE22      GLN   5 -13.078   9.493  -3.238
   38    H    TYR   6           HN       TYR   6  -6.232   9.883  -3.528
   39    HA   TYR   6           HA       TYR   6  -5.701  11.942  -1.516
   40    HB2  TYR   6           HB2      TYR   6  -4.630   9.132  -1.755
   41    HB3  TYR   6           HB1      TYR   6  -4.321  10.229  -0.424
   42    HD1  TYR   6           HD1      TYR   6  -7.269  11.251  -0.280
   43    HD2  TYR   6           HD2      TYR   6  -5.518   7.390  -0.448
   44    HE1  TYR   6           HE1      TYR   6  -9.217  10.322   0.905
   45    HE2  TYR   6           HE2      TYR   6  -7.427   6.450   0.723
   46    HH   TYR   6           HH       TYR   6 -10.329   8.106   1.089
   47    H    SER   7           HN       SER   7  -3.716  12.957  -1.347
   48    HA   SER   7           HA       SER   7  -2.014  12.830  -3.705
   49    HB2  SER   7           HB2      SER   7  -1.824  14.569  -1.245
   50    HB3  SER   7           HB1      SER   7  -1.010  14.817  -2.792
   51    HG   SER   7           HG       SER   7  -3.288  14.730  -3.612
   52    H    GLN   8           HN       GLN   8   0.358  13.155  -3.170
   53    HA   GLN   8           HA       GLN   8   1.370  10.699  -2.558
   54    HB2  GLN   8           HB2      GLN   8   2.453  12.419  -3.897
   55    HB3  GLN   8           HB1      GLN   8   2.795  13.333  -2.433
   56    HG2  GLN   8           HG2      GLN   8   4.057  11.415  -1.587
   57    HG3  GLN   8           HG1      GLN   8   3.726  10.622  -3.123
   58   HE21  GLN   8          HE21      GLN   8   6.208  11.447  -1.859
   59   HE22  GLN   8          HE22      GLN   8   7.040  12.330  -3.106
   60    H    GLU   9           HN       GLU   9   1.556  13.586  -0.400
   61    HA   GLU   9           HA       GLU   9   2.924  12.193   1.654
   62    HB2  GLU   9           HB2      GLU   9   2.415  14.112   3.107
   63    HB3  GLU   9           HB1      GLU   9   3.019  14.628   1.541
   64    HG2  GLU   9           HG2      GLU   9   0.762  15.199   0.838
   65    HG3  GLU   9           HG1      GLU   9   0.123  14.592   2.360
   66    H    GLU  10           HN       GLU  10  -0.348  12.515   0.855
   67    HA   GLU  10           HA       GLU  10  -1.623  11.813   3.278
   68    HB2  GLU  10           HB2      GLU  10  -2.719  12.858   1.334
   69    HB3  GLU  10           HB1      GLU  10  -2.407  11.378   0.422
   70    HG2  GLU  10           HG2      GLU  10  -4.757  11.610   1.241
   71    HG3  GLU  10           HG1      GLU  10  -3.945  10.160   1.832
   72    H    LEU  11           HN       LEU  11  -0.786  10.010   0.398
   73    HA   LEU  11           HA       LEU  11  -1.550   7.467   1.329
   74    HB2  LEU  11           HB2      LEU  11   0.279   8.343  -0.884
   75    HB3  LEU  11           HB1      LEU  11  -0.279   6.691  -0.658
   76    HG   LEU  11           HG       LEU  11  -2.219   8.966  -0.972
   77   HD11  LEU  11          HD11      LEU  11  -0.734   8.924  -2.914
   78   HD12  LEU  11          HD12      LEU  11  -2.385   8.445  -3.301
   79   HD13  LEU  11          HD13      LEU  11  -1.126   7.221  -3.161
   80   HD21  LEU  11          HD21      LEU  11  -3.111   6.911  -0.047
   81   HD22  LEU  11          HD22      LEU  11  -2.407   5.989  -1.374
   82   HD23  LEU  11          HD23      LEU  11  -3.699   7.142  -1.695
   83    H    LYS  12           HN       LYS  12   1.326   9.317   1.614
   84    HA   LYS  12           HA       LYS  12   3.006   7.223   2.485
   85    HB2  LYS  12           HB2      LYS  12   3.152  10.167   2.392
   86    HB3  LYS  12           HB1      LYS  12   4.207   9.371   3.546
   87    HG2  LYS  12           HG2      LYS  12   4.088   8.602   0.645
   88    HG3  LYS  12           HG1      LYS  12   5.190   9.832   1.275
   89    HD2  LYS  12           HD2      LYS  12   6.170   8.197   2.801
   90    HD3  LYS  12           HD1      LYS  12   5.045   6.970   2.233
   91    HE2  LYS  12           HE2      LYS  12   6.025   6.933   0.087
   92    HE3  LYS  12           HE1      LYS  12   6.980   8.373   0.400
   93    HZ1  LYS  12           HZ1      LYS  12   7.331   5.735   1.760
   94    HZ2  LYS  12           HZ2      LYS  12   8.233   7.110   2.071
   95    HZ3  LYS  12           HZ3      LYS  12   8.338   6.395   0.567
   96    H    GLU  13           HN       GLU  13   0.560   9.063   4.095
   97    HA   GLU  13           HA       GLU  13   1.491   8.207   6.729
   98    HB2  GLU  13           HB2      GLU  13  -0.948   9.792   5.917
   99    HB3  GLU  13           HB1      GLU  13  -0.494   9.436   7.575
  100    HG2  GLU  13           HG2      GLU  13   1.004  11.145   5.604
  101    HG3  GLU  13           HG1      GLU  13   0.102  11.693   7.013
  102    H    MET  14           HN       MET  14   0.096   6.704   4.323
  103    HA   MET  14           HA       MET  14  -1.961   5.315   5.877
  104    HB2  MET  14           HB2      MET  14  -1.287   5.205   2.932
  105    HB3  MET  14           HB1      MET  14  -2.556   4.271   3.699
  106    HG2  MET  14           HG2      MET  14  -2.461   7.275   3.537
  107    HG3  MET  14           HG1      MET  14  -3.382   6.229   2.460
  108    HE1  MET  14           HE1      MET  14  -5.632   7.490   2.933
  109    HE2  MET  14           HE2      MET  14  -4.744   8.628   3.947
  110    HE3  MET  14           HE3      MET  14  -6.216   7.870   4.554
  111    H    ALA  15           HN       ALA  15  -1.783   3.107   6.225
  112    HA   ALA  15           HA       ALA  15   0.860   1.981   6.205
  113    HB1  ALA  15           HB1      ALA  15  -1.841   0.741   6.812
  114    HB2  ALA  15           HB2      ALA  15  -0.722   1.412   7.996
  115    HB3  ALA  15           HB3      ALA  15  -0.293  -0.044   7.103
  116    H    LEU  16           HN       LEU  16   1.475   0.108   4.933
  117    HA   LEU  16           HA       LEU  16   0.986   0.423   2.199
  118    HB2  LEU  16           HB2      LEU  16   2.007  -2.093   3.527
  119    HB3  LEU  16           HB1      LEU  16   2.220  -1.605   1.854
  120    HG   LEU  16           HG       LEU  16   3.455  -0.318   4.268
  121   HD11  LEU  16          HD11      LEU  16   4.546  -2.375   3.579
  122   HD12  LEU  16          HD12      LEU  16   5.555  -0.975   3.205
  123   HD13  LEU  16          HD13      LEU  16   4.657  -1.776   1.924
  124   HD21  LEU  16          HD21      LEU  16   3.514   0.450   1.388
  125   HD22  LEU  16          HD22      LEU  16   4.510   1.193   2.674
  126   HD23  LEU  16          HD23      LEU  16   2.731   1.299   2.720
  127    H    VAL  17           HN       VAL  17  -0.081  -2.209   4.257
  128    HA   VAL  17           HA       VAL  17  -1.735  -3.445   2.390
  129    HB   VAL  17           HB       VAL  17  -0.776  -4.333   4.444
  130   HG11  VAL  17          HG11      VAL  17  -2.990  -2.840   5.840
  131   HG12  VAL  17          HG12      VAL  17  -1.251  -2.615   6.020
  132   HG13  VAL  17          HG13      VAL  17  -2.011  -4.102   6.602
  133   HG21  VAL  17          HG21      VAL  17  -3.743  -4.757   4.125
  134   HG22  VAL  17          HG22      VAL  17  -2.663  -5.847   5.000
  135   HG23  VAL  17          HG23      VAL  17  -2.460  -5.600   3.264
  136    H    GLU  18           HN       GLU  18  -2.242  -0.692   4.370
  137    HA   GLU  18           HA       GLU  18  -5.108  -0.721   4.291
  138    HB2  GLU  18           HB2      GLU  18  -3.878   0.223   6.171
  139    HB3  GLU  18           HB1      GLU  18  -3.120   1.392   5.108
  140    HG2  GLU  18           HG2      GLU  18  -5.228   2.486   4.758
  141    HG3  GLU  18           HG1      GLU  18  -6.054   1.246   5.708
  142    H    ILE  19           HN       ILE  19  -2.485   0.849   2.585
  143    HA   ILE  19           HA       ILE  19  -3.955   2.551   0.891
  144    HB   ILE  19           HB       ILE  19  -1.387   1.039   0.246
  145   HG12  ILE  19          HG12      ILE  19  -1.717   3.848   1.304
  146   HG13  ILE  19          HG11      ILE  19  -1.269   2.466   2.295
  147   HG21  ILE  19          HG21      ILE  19  -2.549   3.532  -0.990
  148   HG22  ILE  19          HG22      ILE  19  -2.502   1.944  -1.736
  149   HG23  ILE  19          HG23      ILE  19  -0.994   2.808  -1.411
  150   HD11  ILE  19          HD11      ILE  19   0.779   2.207   0.970
  151   HD12  ILE  19          HD12      ILE  19   0.670   3.799   1.719
  152   HD13  ILE  19          HD13      ILE  19   0.314   3.603   0.003
  153    H    ALA  20           HN       ALA  20  -2.811  -0.758   0.496
  154    HA   ALA  20           HA       ALA  20  -4.023  -1.283  -1.978
  155    HB1  ALA  20           HB1      ALA  20  -3.607  -3.635  -1.496
  156    HB2  ALA  20           HB2      ALA  20  -3.355  -3.263   0.205
  157    HB3  ALA  20           HB3      ALA  20  -2.221  -2.663  -1.005
  158    H    HIS  21           HN       HIS  21  -5.172  -1.693   1.323
  159    HA   HIS  21           HA       HIS  21  -7.585  -2.991   0.891
  160    HB2  HIS  21           HB2      HIS  21  -6.638  -2.525   3.127
  161    HB3  HIS  21           HB1      HIS  21  -6.989  -0.808   2.907
  162    HD1  HIS  21           HD1      HIS  21  -9.551  -0.109   3.047
  163    HD2  HIS  21           HD2      HIS  21  -8.728  -4.062   4.013
  164    HE1  HIS  21           HE1      HIS  21 -11.616  -0.982   4.081
  165    HE2  HIS  21           HE2      HIS  21 -11.151  -3.393   4.559
  166    H    GLU  22           HN       GLU  22  -6.915   0.493   0.883
  167    HA   GLU  22           HA       GLU  22  -9.547   1.372   0.335
  168    HB2  GLU  22           HB2      GLU  22  -7.583   2.700   1.246
  169    HB3  GLU  22           HB1      GLU  22  -6.975   2.718  -0.405
  170    HG2  GLU  22           HG2      GLU  22  -8.108   4.793   0.126
  171    HG3  GLU  22           HG1      GLU  22  -8.941   3.915  -1.150
  172    H    LEU  23           HN       LEU  23  -6.808   0.532  -1.632
  173    HA   LEU  23           HA       LEU  23  -7.712   1.308  -4.168
  174    HB2  LEU  23           HB2      LEU  23  -5.409   0.762  -3.602
  175    HB3  LEU  23           HB1      LEU  23  -5.863  -0.889  -3.281
  176    HG   LEU  23           HG       LEU  23  -6.239  -1.269  -5.690
  177   HD11  LEU  23          HD11      LEU  23  -5.664   0.466  -7.293
  178   HD12  LEU  23          HD12      LEU  23  -5.353   1.607  -5.986
  179   HD13  LEU  23          HD13      LEU  23  -6.990   1.017  -6.271
  180   HD21  LEU  23          HD21      LEU  23  -3.673   0.093  -5.003
  181   HD22  LEU  23          HD22      LEU  23  -3.915  -1.052  -6.337
  182   HD23  LEU  23          HD23      LEU  23  -4.079  -1.580  -4.650
  183    H    PHE  24           HN       PHE  24  -7.958  -1.758  -2.424
  184    HA   PHE  24           HA       PHE  24  -9.449  -2.973  -4.469
  185    HB2  PHE  24           HB2      PHE  24  -8.887  -3.789  -1.664
  186    HB3  PHE  24           HB1      PHE  24 -10.064  -4.674  -2.637
  187    HD1  PHE  24           HD2      PHE  24  -9.339  -5.483  -4.899
  188    HD2  PHE  24           HD1      PHE  24  -6.641  -4.220  -1.905
  189    HE1  PHE  24           HE2      PHE  24  -7.555  -6.688  -6.022
  190    HE2  PHE  24           HE1      PHE  24  -4.823  -5.421  -3.023
  191    HZ   PHE  24           HZ       PHE  24  -5.287  -6.669  -5.101
  192    H    GLU  25           HN       GLU  25 -10.459  -1.186  -1.644
  193    HA   GLU  25           HA       GLU  25 -13.181  -1.784  -2.113
  194    HB2  GLU  25           HB2      GLU  25 -11.867   0.395  -0.525
  195    HB3  GLU  25           HB1      GLU  25 -13.614   0.330  -0.724
  196    HG2  GLU  25           HG2      GLU  25 -11.946  -1.909   0.393
  197    HG3  GLU  25           HG1      GLU  25 -12.798  -0.716   1.368
  198    H    GLU  26           HN       GLU  26 -11.047   0.298  -3.661
  199    HA   GLU  26           HA       GLU  26 -13.082   1.969  -4.807
  200    HB2  GLU  26           HB2      GLU  26 -10.739   2.695  -4.394
  201    HB3  GLU  26           HB1      GLU  26 -10.220   1.573  -5.637
  202    HG2  GLU  26           HG2      GLU  26 -11.548   2.803  -7.277
  203    HG3  GLU  26           HG1      GLU  26 -12.008   3.948  -6.016
  204    H    HIS  27           HN       HIS  27 -11.297  -0.897  -5.716
  205    HA   HIS  27           HA       HIS  27 -12.438  -0.938  -8.396
  206    HB2  HIS  27           HB2      HIS  27 -10.563  -2.814  -6.981
  207    HB3  HIS  27           HB1      HIS  27 -11.320  -3.263  -8.495
  208    HD1  HIS  27           HD1      HIS  27 -10.281  -2.358 -10.625
  209    HD2  HIS  27           HD2      HIS  27  -8.670  -0.673  -7.186
  210    HE1  HIS  27           HE1      HIS  27  -8.294  -1.136 -11.371
  211    HE2  HIS  27           HE2      HIS  27  -7.127  -0.529  -9.289
  212    H    LYS  28           HN       LYS  28 -12.676  -2.820  -5.443
  213    HA   LYS  28           HA       LYS  28 -13.960  -4.383  -4.666
  214    HB2  LYS  28           HB2      LYS  28 -16.021  -2.974  -6.344
  215    HB3  LYS  28           HB1      LYS  28 -16.417  -4.226  -5.164
  216    HG2  LYS  28           HG2      LYS  28 -15.407  -2.877  -3.399
  217    HG3  LYS  28           HG1      LYS  28 -15.017  -1.630  -4.577
  218    HD2  LYS  28           HD2      LYS  28 -17.426  -1.354  -5.032
  219    HD3  LYS  28           HD1      LYS  28 -17.771  -2.563  -3.791
  220    HE2  LYS  28           HE2      LYS  28 -16.302   0.021  -3.340
  221    HE3  LYS  28           HE1      LYS  28 -17.995  -0.255  -2.954
  222    HZ1  LYS  28           HZ1      LYS  28 -17.309  -1.958  -1.369
  223    HZ2  LYS  28           HZ2      LYS  28 -16.598  -0.506  -1.010
  224    HZ3  LYS  28           HZ3      LYS  28 -15.686  -1.715  -1.703
  225    H    LYS  29           HN       LYS  29 -12.454  -4.919  -6.953
  226    HA   LYS  29           HA       LYS  29 -13.645  -7.457  -7.613
  227    HB2  LYS  29           HB2      LYS  29 -12.216  -5.679  -9.619
  228    HB3  LYS  29           HB1      LYS  29 -12.774  -7.314  -9.922
  229    HG2  LYS  29           HG2      LYS  29 -15.116  -6.433  -9.524
  230    HG3  LYS  29           HG1      LYS  29 -14.405  -4.819  -9.565
  231    HD2  LYS  29           HD2      LYS  29 -14.310  -6.879 -11.780
  232    HD3  LYS  29           HD1      LYS  29 -15.300  -5.427 -11.758
  233    HE2  LYS  29           HE2      LYS  29 -12.281  -5.472 -11.739
  234    HE3  LYS  29           HE1      LYS  29 -13.255  -5.230 -13.170
  235    HZ1  LYS  29           HZ1      LYS  29 -14.192  -3.232 -12.091
  236    HZ2  LYS  29           HZ2      LYS  29 -12.560  -3.125 -12.389
  237    HZ3  LYS  29           HZ3      LYS  29 -13.099  -3.398 -10.821
  238    HA   PRO  30           HA       PRO  30  -9.541  -8.578  -6.326
  239    HB2  PRO  30           HB2      PRO  30  -9.513 -10.813  -8.288
  240    HB3  PRO  30           HB1      PRO  30  -9.511 -10.835  -6.541
  241    HG2  PRO  30           HG2      PRO  30 -11.664 -11.566  -7.950
  242    HG3  PRO  30           HG1      PRO  30 -11.801 -10.753  -6.383
  243    HD2  PRO  30           HD2      PRO  30 -12.056  -9.606  -9.132
  244    HD3  PRO  30           HD1      PRO  30 -13.074  -9.347  -7.695
  245    H    VAL  31           HN       VAL  31  -7.453  -8.138  -6.911
  246    HA   VAL  31           HA       VAL  31  -6.934  -7.529  -9.731
  247    HB   VAL  31           HB       VAL  31  -6.084  -5.772  -7.382
  248   HG11  VAL  31          HG11      VAL  31  -5.638  -5.365 -10.334
  249   HG12  VAL  31          HG12      VAL  31  -4.408  -5.779  -9.140
  250   HG13  VAL  31          HG13      VAL  31  -5.224  -4.217  -9.061
  251   HG21  VAL  31          HG21      VAL  31  -8.458  -5.482  -7.881
  252   HG22  VAL  31          HG22      VAL  31  -8.064  -5.193  -9.576
  253   HG23  VAL  31          HG23      VAL  31  -7.538  -4.047  -8.345
  254    HA   PRO  32           HA       PRO  32  -3.444 -10.203  -8.855
  255    HB2  PRO  32           HB2      PRO  32  -2.184  -8.733 -11.106
  256    HB3  PRO  32           HB1      PRO  32  -2.416 -10.470 -10.897
  257    HG2  PRO  32           HG2      PRO  32  -3.915  -9.113 -12.622
  258    HG3  PRO  32           HG1      PRO  32  -4.614 -10.407 -11.631
  259    HD2  PRO  32           HD2      PRO  32  -4.815  -7.444 -11.297
  260    HD3  PRO  32           HD1      PRO  32  -6.049  -8.706 -11.067
  261    H    PHE  33           HN       PHE  33  -1.489 -10.043  -7.908
  262    HA   PHE  33           HA       PHE  33  -1.026  -7.953  -6.198
  263    HB2  PHE  33           HB2      PHE  33  -0.232 -10.218  -5.855
  264    HB3  PHE  33           HB1      PHE  33   0.942 -10.036  -7.169
  265    HD1  PHE  33           HD2      PHE  33  -0.032  -8.859  -3.808
  266    HD2  PHE  33           HD1      PHE  33   3.079  -9.145  -6.690
  267    HE1  PHE  33           HE2      PHE  33   1.581  -8.122  -2.123
  268    HE2  PHE  33           HE1      PHE  33   4.706  -8.411  -5.000
  269    HZ   PHE  33           HZ       PHE  33   3.947  -7.896  -2.703
  270    H    GLN  34           HN       GLN  34   0.542  -8.522  -9.310
  271    HA   GLN  34           HA       GLN  34   2.412  -6.408  -9.044
  272    HB2  GLN  34           HB2      GLN  34   1.373  -7.746 -11.531
  273    HB3  GLN  34           HB1      GLN  34   2.720  -6.623 -11.499
  274    HG2  GLN  34           HG2      GLN  34   2.600  -9.259 -10.053
  275    HG3  GLN  34           HG1      GLN  34   3.456  -8.948 -11.568
  276   HE21  GLN  34          HE21      GLN  34   4.416  -6.285 -10.594
  277   HE22  GLN  34          HE22      GLN  34   5.625  -6.691  -9.433
  278    H    GLU  35           HN       GLU  35  -0.905  -6.445 -10.240
  279    HA   GLU  35           HA       GLU  35  -0.576  -3.958 -11.625
  280    HB2  GLU  35           HB2      GLU  35  -2.934  -5.767 -11.186
  281    HB3  GLU  35           HB1      GLU  35  -3.051  -4.231 -12.040
  282    HG2  GLU  35           HG2      GLU  35  -1.515  -4.959 -13.708
  283    HG3  GLU  35           HG1      GLU  35  -1.163  -6.434 -12.817
  284    H    LEU  36           HN       LEU  36  -1.845  -5.067  -8.599
  285    HA   LEU  36           HA       LEU  36  -3.051  -2.585  -7.966
  286    HB2  LEU  36           HB2      LEU  36  -3.204  -3.426  -5.656
  287    HB3  LEU  36           HB1      LEU  36  -3.715  -4.647  -6.791
  288    HG   LEU  36           HG       LEU  36  -1.251  -5.528  -6.478
  289   HD11  LEU  36          HD11      LEU  36  -0.445  -3.703  -5.129
  290   HD12  LEU  36          HD12      LEU  36  -0.392  -5.225  -4.241
  291   HD13  LEU  36          HD13      LEU  36  -1.662  -4.049  -3.898
  292   HD21  LEU  36          HD21      LEU  36  -2.016  -6.955  -4.631
  293   HD22  LEU  36          HD22      LEU  36  -3.213  -6.810  -5.919
  294   HD23  LEU  36          HD23      LEU  36  -3.408  -5.897  -4.420
  295    H    LEU  37           HN       LEU  37   0.165  -3.889  -7.644
  296    HA   LEU  37           HA       LEU  37   1.262  -1.804  -6.075
  297    HB2  LEU  37           HB2      LEU  37   2.532  -3.738  -7.991
  298    HB3  LEU  37           HB1      LEU  37   3.441  -2.654  -6.954
  299    HG   LEU  37           HG       LEU  37   1.565  -4.799  -5.961
  300   HD11  LEU  37          HD11      LEU  37   4.552  -4.780  -6.230
  301   HD12  LEU  37          HD12      LEU  37   3.427  -5.786  -7.145
  302   HD13  LEU  37          HD13      LEU  37   3.610  -6.022  -5.405
  303   HD21  LEU  37          HD21      LEU  37   2.704  -4.414  -3.820
  304   HD22  LEU  37          HD22      LEU  37   1.881  -2.963  -4.384
  305   HD23  LEU  37          HD23      LEU  37   3.631  -3.104  -4.552
  306    H    ASN  38           HN       ASN  38   0.921  -2.357  -9.514
  307    HA   ASN  38           HA       ASN  38   2.316  -0.189 -10.557
  308    HB2  ASN  38           HB2      ASN  38  -0.257  -1.472 -11.504
  309    HB3  ASN  38           HB1      ASN  38   0.590  -0.248 -12.441
  310   HD21  ASN  38          HD21      ASN  38   3.242  -1.282 -11.858
  311   HD22  ASN  38          HD22      ASN  38   3.375  -2.779 -12.704
  312    H    GLU  39           HN       GLU  39  -1.059  -0.348  -9.467
  313    HA   GLU  39           HA       GLU  39  -1.589   2.392  -9.927
  314    HB2  GLU  39           HB2      GLU  39  -3.003   0.476  -8.076
  315    HB3  GLU  39           HB1      GLU  39  -3.606   2.052  -8.565
  316    HG2  GLU  39           HG2      GLU  39  -3.528   1.228 -10.935
  317    HG3  GLU  39           HG1      GLU  39  -3.174  -0.362 -10.282
  318    H    ILE  40           HN       ILE  40  -0.696   0.597  -7.017
  319    HA   ILE  40           HA       ILE  40  -0.798   2.681  -5.171
  320    HB   ILE  40           HB       ILE  40   0.994   0.232  -5.250
  321   HG12  ILE  40          HG12      ILE  40  -1.461   0.868  -3.597
  322   HG13  ILE  40          HG11      ILE  40  -1.412  -0.182  -5.008
  323   HG21  ILE  40          HG21      ILE  40   2.122   1.930  -3.896
  324   HG22  ILE  40          HG22      ILE  40   1.543   0.592  -2.905
  325   HG23  ILE  40          HG23      ILE  40   0.665   2.119  -2.915
  326   HD11  ILE  40          HD11      ILE  40  -1.457  -1.464  -2.944
  327   HD12  ILE  40          HD12      ILE  40   0.019  -0.664  -2.401
  328   HD13  ILE  40          HD13      ILE  40   0.056  -1.720  -3.815
  329    H    ALA  41           HN       ALA  41   1.948   1.625  -7.138
  330    HA   ALA  41           HA       ALA  41   3.701   3.586  -6.156
  331    HB1  ALA  41           HB1      ALA  41   5.211   2.922  -7.885
  332    HB2  ALA  41           HB2      ALA  41   3.904   2.078  -8.744
  333    HB3  ALA  41           HB3      ALA  41   4.432   1.521  -7.146
  334    H    SER  42           HN       SER  42   1.375   3.708  -8.736
  335    HA   SER  42           HA       SER  42   2.404   6.169  -9.794
  336    HB2  SER  42           HB2      SER  42  -0.372   4.996 -10.101
  337    HB3  SER  42           HB1      SER  42   0.368   6.225 -11.130
  338    HG   SER  42           HG       SER  42   0.948   3.475 -10.914
  339    H    LEU  43           HN       LEU  43  -0.225   5.387  -7.600
  340    HA   LEU  43           HA       LEU  43  -1.046   8.045  -7.177
  341    HB2  LEU  43           HB2      LEU  43  -1.390   5.515  -5.595
  342    HB3  LEU  43           HB1      LEU  43  -2.131   7.036  -5.132
  343    HG   LEU  43           HG       LEU  43  -2.605   5.808  -7.838
  344   HD11  LEU  43          HD11      LEU  43  -4.256   5.496  -5.342
  345   HD12  LEU  43          HD12      LEU  43  -3.310   4.218  -6.105
  346   HD13  LEU  43          HD13      LEU  43  -4.685   4.923  -6.951
  347   HD21  LEU  43          HD21      LEU  43  -4.080   7.844  -6.182
  348   HD22  LEU  43          HD22      LEU  43  -4.570   7.245  -7.771
  349   HD23  LEU  43          HD23      LEU  43  -3.087   8.176  -7.602
  350    H    LEU  44           HN       LEU  44   1.022   5.893  -5.281
  351    HA   LEU  44           HA       LEU  44   1.837   7.975  -3.485
  352    HB2  LEU  44           HB2      LEU  44   2.959   5.248  -4.131
  353    HB3  LEU  44           HB1      LEU  44   3.778   6.350  -3.064
  354    HG   LEU  44           HG       LEU  44   1.922   6.165  -1.451
  355   HD11  LEU  44          HD11      LEU  44   0.107   5.730  -3.055
  356   HD12  LEU  44          HD12      LEU  44   0.157   4.524  -1.773
  357   HD13  LEU  44          HD13      LEU  44   0.803   4.149  -3.381
  358   HD21  LEU  44          HD21      LEU  44   2.347   3.822  -0.841
  359   HD22  LEU  44          HD22      LEU  44   3.818   4.683  -1.307
  360   HD23  LEU  44          HD23      LEU  44   3.062   3.569  -2.439
  361    H    GLY  45           HN       GLY  45   2.872   9.594  -4.401
  362    HA2  GLY  45           HA2      GLY  45   4.541   9.571  -6.670
  363    HA3  GLY  45           HA1      GLY  45   4.660  10.758  -5.386
  364    H    VAL  46           HN       VAL  46   5.533   7.393  -5.946
  365    HA   VAL  46           HA       VAL  46   8.224   7.854  -4.836
  366    HB   VAL  46           HB       VAL  46   8.169   5.584  -3.895
  367   HG11  VAL  46          HG11      VAL  46   7.400   7.402  -2.464
  368   HG12  VAL  46          HG12      VAL  46   6.560   5.898  -2.085
  369   HG13  VAL  46          HG13      VAL  46   5.751   7.154  -3.024
  370   HG21  VAL  46          HG21      VAL  46   6.677   4.502  -5.494
  371   HG22  VAL  46          HG22      VAL  46   5.322   5.456  -4.915
  372   HG23  VAL  46          HG23      VAL  46   6.067   4.257  -3.855
  373    H    LYS  47           HN       LYS  47   9.722   6.073  -5.679
  374    HA   LYS  47           HA       LYS  47   9.033   5.585  -8.472
  375    HB2  LYS  47           HB2      LYS  47  11.347   5.129  -8.851
  376    HB3  LYS  47           HB1      LYS  47  11.288   6.549  -7.821
  377    HG2  LYS  47           HG2      LYS  47  11.609   4.910  -5.892
  378    HG3  LYS  47           HG1      LYS  47  12.094   3.749  -7.131
  379    HD2  LYS  47           HD2      LYS  47  13.328   6.401  -6.465
  380    HD3  LYS  47           HD1      LYS  47  14.017   4.792  -6.211
  381    HE2  LYS  47           HE2      LYS  47  14.145   4.471  -8.628
  382    HE3  LYS  47           HE1      LYS  47  13.429   6.067  -8.870
  383    HZ1  LYS  47           HZ1      LYS  47  15.808   6.170  -9.102
  384    HZ2  LYS  47           HZ2      LYS  47  16.039   5.504  -7.583
  385    HZ3  LYS  47           HZ3      LYS  47  15.356   7.037  -7.728
  386    H    LYS  48           HN       LYS  48   9.197   3.423  -9.351
  387    HA   LYS  48           HA       LYS  48   7.857   1.555  -7.739
  388    HB2  LYS  48           HB2      LYS  48   7.546   1.477 -10.107
  389    HB3  LYS  48           HB1      LYS  48   9.260   1.193 -10.378
  390    HG2  LYS  48           HG2      LYS  48   8.237  -0.901 -10.689
  391    HG3  LYS  48           HG1      LYS  48   8.967  -0.908  -9.079
  392    HD2  LYS  48           HD2      LYS  48   6.753  -0.445  -8.080
  393    HD3  LYS  48           HD1      LYS  48   6.019  -0.535  -9.678
  394    HE2  LYS  48           HE2      LYS  48   7.456  -2.742  -8.210
  395    HE3  LYS  48           HE1      LYS  48   5.736  -2.649  -8.577
  396    HZ1  LYS  48           HZ1      LYS  48   6.782  -4.125 -10.104
  397    HZ2  LYS  48           HZ2      LYS  48   7.966  -3.025 -10.505
  398    HZ3  LYS  48           HZ3      LYS  48   6.373  -2.747 -10.989
  399    H    GLU  49           HN       GLU  49  11.260   1.933  -8.384
  400    HA   GLU  49           HA       GLU  49  12.145  -0.606  -7.580
  401    HB2  GLU  49           HB2      GLU  49  13.596   2.027  -7.420
  402    HB3  GLU  49           HB1      GLU  49  14.348   0.442  -7.326
  403    HG2  GLU  49           HG2      GLU  49  12.941   1.678  -9.671
  404    HG3  GLU  49           HG1      GLU  49  14.648   1.241  -9.536
  405    H    GLU  50           HN       GLU  50  11.947   2.402  -5.721
  406    HA   GLU  50           HA       GLU  50  12.795   1.257  -3.280
  407    HB2  GLU  50           HB2      GLU  50  12.138   3.331  -2.274
  408    HB3  GLU  50           HB1      GLU  50  12.808   3.719  -3.853
  409    HG2  GLU  50           HG2      GLU  50  10.479   3.842  -4.740
  410    HG3  GLU  50           HG1      GLU  50   9.916   3.545  -3.120
  411    H    LEU  51           HN       LEU  51   9.761   1.626  -4.934
  412    HA   LEU  51           HA       LEU  51   8.081   0.903  -2.790
  413    HB2  LEU  51           HB2      LEU  51   7.401   2.116  -4.921
  414    HB3  LEU  51           HB1      LEU  51   7.571   0.604  -5.768
  415    HG   LEU  51           HG       LEU  51   5.213   1.341  -5.260
  416   HD11  LEU  51          HD11      LEU  51   4.368  -0.849  -4.628
  417   HD12  LEU  51          HD12      LEU  51   5.996  -1.340  -4.157
  418   HD13  LEU  51          HD13      LEU  51   5.642  -0.964  -5.844
  419   HD21  LEU  51          HD21      LEU  51   5.955   0.602  -2.435
  420   HD22  LEU  51          HD22      LEU  51   4.330   0.965  -3.014
  421   HD23  LEU  51          HD23      LEU  51   5.570   2.218  -3.023
  422    H    GLY  52           HN       GLY  52  10.038  -0.814  -5.081
  423    HA2  GLY  52           HA2      GLY  52   9.047  -3.419  -4.762
  424    HA3  GLY  52           HA1      GLY  52  10.685  -2.998  -5.251
  425    H    ASP  53           HN       ASP  53  11.529  -1.644  -3.019
  426    HA   ASP  53           HA       ASP  53  12.205  -3.676  -1.162
  427    HB2  ASP  53           HB2      ASP  53  12.046  -0.702  -0.583
  428    HB3  ASP  53           HB1      ASP  53  12.920  -1.891   0.372
  429    H    ARG  54           HN       ARG  54   9.763  -1.195  -1.112
  430    HA   ARG  54           HA       ARG  54   8.601  -2.058   1.318
  431    HB2  ARG  54           HB2      ARG  54   7.545  -0.195  -0.799
  432    HB3  ARG  54           HB1      ARG  54   6.537  -0.709   0.537
  433    HG2  ARG  54           HG2      ARG  54   7.422   1.437   1.083
  434    HG3  ARG  54           HG1      ARG  54   8.254   0.261   2.096
  435    HD2  ARG  54           HD2      ARG  54  10.169   0.320   0.616
  436    HD3  ARG  54           HD1      ARG  54   9.306   1.415  -0.461
  437    HE   ARG  54           HE       ARG  54   9.986   2.158   2.316
  438   HH11  ARG  54          HH11      ARG  54   9.914   2.974  -1.110
  439   HH12  ARG  54          HH12      ARG  54  10.697   4.479  -0.937
  440   HH21  ARG  54          HH21      ARG  54  11.090   4.095   2.564
  441   HH22  ARG  54          HH22      ARG  54  11.388   5.162   1.260
  442    H    ILE  55           HN       ILE  55   8.389  -3.338  -1.840
  443    HA   ILE  55           HA       ILE  55   5.863  -4.623  -1.573
  444    HB   ILE  55           HB       ILE  55   8.258  -5.365  -3.312
  445   HG12  ILE  55          HG12      ILE  55   5.608  -4.112  -4.035
  446   HG13  ILE  55          HG11      ILE  55   7.135  -3.253  -3.900
  447   HG21  ILE  55          HG21      ILE  55   5.489  -6.567  -3.401
  448   HG22  ILE  55          HG22      ILE  55   6.961  -7.394  -2.893
  449   HG23  ILE  55          HG23      ILE  55   6.773  -6.874  -4.567
  450   HD11  ILE  55          HD11      ILE  55   6.595  -3.673  -6.223
  451   HD12  ILE  55          HD12      ILE  55   6.446  -5.398  -5.894
  452   HD13  ILE  55          HD13      ILE  55   8.013  -4.633  -5.789
  453    H    ALA  56           HN       ALA  56   9.151  -5.421  -0.760
  454    HA   ALA  56           HA       ALA  56   8.693  -8.042   0.201
  455    HB1  ALA  56           HB1      ALA  56  10.705  -6.030   1.219
  456    HB2  ALA  56           HB2      ALA  56  10.935  -7.058  -0.189
  457    HB3  ALA  56           HB3      ALA  56  10.795  -7.784   1.412
  458    H    GLN  57           HN       GLN  57   8.860  -4.952   1.941
  459    HA   GLN  57           HA       GLN  57   7.964  -5.801   4.448
  460    HB2  GLN  57           HB2      GLN  57   8.761  -3.427   3.494
  461    HB3  GLN  57           HB1      GLN  57   7.037  -3.149   3.403
  462    HG2  GLN  57           HG2      GLN  57   8.587  -3.831   5.909
  463    HG3  GLN  57           HG1      GLN  57   8.049  -2.235   5.461
  464   HE21  GLN  57          HE21      GLN  57   7.204  -5.306   6.804
  465   HE22  GLN  57          HE22      GLN  57   5.639  -4.854   7.361
  466    H    PHE  58           HN       PHE  58   6.198  -4.835   1.591
  467    HA   PHE  58           HA       PHE  58   3.586  -4.809   2.566
  468    HB2  PHE  58           HB2      PHE  58   4.360  -3.795   0.435
  469    HB3  PHE  58           HB1      PHE  58   4.550  -5.409  -0.220
  470    HD1  PHE  58           HD2      PHE  58   1.874  -3.490   1.527
  471    HD2  PHE  58           HD1      PHE  58   2.956  -6.006  -1.711
  472    HE1  PHE  58           HE2      PHE  58  -0.421  -3.352   0.661
  473    HE2  PHE  58           HE1      PHE  58   0.676  -5.881  -2.585
  474    HZ   PHE  58           HZ       PHE  58  -1.025  -4.550  -1.401
  475    H    TYR  59           HN       TYR  59   5.525  -7.465   1.203
  476    HA   TYR  59           HA       TYR  59   3.476  -9.374   1.150
  477    HB2  TYR  59           HB2      TYR  59   6.444  -9.606   1.458
  478    HB3  TYR  59           HB1      TYR  59   5.454 -11.016   1.787
  479    HD1  TYR  59           HD2      TYR  59   3.703 -11.564  -0.100
  480    HD2  TYR  59           HD1      TYR  59   7.260  -9.315  -0.692
  481    HE1  TYR  59           HE2      TYR  59   3.665 -12.149  -2.476
  482    HE2  TYR  59           HE1      TYR  59   7.234  -9.900  -3.082
  483    HH   TYR  59           HH       TYR  59   6.323 -11.621  -4.520
  484    H    THR  60           HN       THR  60   5.717  -8.522   3.749
  485    HA   THR  60           HA       THR  60   4.621 -10.291   5.650
  486    HB   THR  60           HB       THR  60   5.949  -7.614   6.176
  487    HG1  THR  60           HG1      THR  60   7.865  -8.627   5.923
  488   HG21  THR  60          HG21      THR  60   6.709  -8.694   8.252
  489   HG22  THR  60          HG22      THR  60   5.846 -10.164   7.804
  490   HG23  THR  60          HG23      THR  60   4.947  -8.690   8.159
  491    H    ASP  61           HN       ASP  61   4.021  -6.869   5.010
  492    HA   ASP  61           HA       ASP  61   2.223  -6.305   7.087
  493    HB2  ASP  61           HB2      ASP  61   3.543  -4.675   5.667
  494    HB3  ASP  61           HB1      ASP  61   2.365  -4.939   4.396
  495    H    LEU  62           HN       LEU  62   1.714  -7.521   3.854
  496    HA   LEU  62           HA       LEU  62  -1.116  -7.272   3.724
  497    HB2  LEU  62           HB2      LEU  62   0.720  -7.731   1.881
  498    HB3  LEU  62           HB1      LEU  62   0.469  -9.400   2.316
  499    HG   LEU  62           HG       LEU  62  -0.788  -9.099   0.405
  500   HD11  LEU  62          HD11      LEU  62  -3.117  -9.230   0.983
  501   HD12  LEU  62          HD12      LEU  62  -2.740  -8.681   2.613
  502   HD13  LEU  62          HD13      LEU  62  -2.106 -10.225   2.031
  503   HD21  LEU  62          HD21      LEU  62  -2.292  -7.242  -0.025
  504   HD22  LEU  62          HD22      LEU  62  -0.620  -6.744   0.208
  505   HD23  LEU  62          HD23      LEU  62  -1.798  -6.496   1.502
  506    H    ASN  63           HN       ASN  63   1.058 -10.040   4.251
  507    HA   ASN  63           HA       ASN  63  -1.044 -11.859   4.639
  508    HB2  ASN  63           HB2      ASN  63   1.924 -12.121   4.955
  509    HB3  ASN  63           HB1      ASN  63   0.839 -13.405   5.481
  510   HD21  ASN  63          HD21      ASN  63  -0.229 -14.581   4.035
  511   HD22  ASN  63          HD22      ASN  63   0.065 -14.579   2.339
  512    H    ILE  64           HN       ILE  64   0.359  -9.752   6.913
  513    HA   ILE  64           HA       ILE  64  -0.561 -11.435   9.100
  514    HB   ILE  64           HB       ILE  64   0.309  -9.724  10.628
  515   HG12  ILE  64          HG12      ILE  64   1.174  -8.249   8.120
  516   HG13  ILE  64          HG11      ILE  64  -0.103  -7.735   9.215
  517   HG21  ILE  64          HG21      ILE  64   2.236 -10.589   8.482
  518   HG22  ILE  64          HG22      ILE  64   1.790 -11.492   9.931
  519   HG23  ILE  64          HG23      ILE  64   2.698  -9.983  10.070
  520   HD11  ILE  64          HD11      ILE  64   2.822  -7.982   9.899
  521   HD12  ILE  64          HD12      ILE  64   1.549  -7.458  11.000
  522   HD13  ILE  64          HD13      ILE  64   1.951  -6.481   9.587
  523    H    ASP  65           HN       ASP  65  -2.072  -9.404   7.032
  524    HA   ASP  65           HA       ASP  65  -3.760  -8.076   9.018
  525    HB2  ASP  65           HB2      ASP  65  -2.837  -6.944   6.909
  526    HB3  ASP  65           HB1      ASP  65  -3.997  -7.917   6.012
  527    H    GLY  66           HN       GLY  66  -6.100  -8.358   8.955
  528    HA2  GLY  66           HA2      GLY  66  -6.804 -11.066   8.045
  529    HA3  GLY  66           HA1      GLY  66  -7.504 -10.228   9.449
  530    H    ARG  67           HN       ARG  67  -7.254  -7.941   7.141
  531    HA   ARG  67           HA       ARG  67 -10.062  -8.189   6.409
  532    HB2  ARG  67           HB2      ARG  67  -8.002  -6.018   5.975
  533    HB3  ARG  67           HB1      ARG  67  -9.698  -5.890   5.523
  534    HG2  ARG  67           HG2      ARG  67 -10.401  -5.928   7.772
  535    HG3  ARG  67           HG1      ARG  67  -8.810  -6.432   8.339
  536    HD2  ARG  67           HD2      ARG  67  -9.357  -3.800   6.984
  537    HD3  ARG  67           HD1      ARG  67  -9.366  -4.016   8.736
  538    HE   ARG  67           HE       ARG  67  -6.944  -4.968   7.563
  539   HH11  ARG  67          HH11      ARG  67  -8.550  -1.925   8.560
  540   HH12  ARG  67          HH12      ARG  67  -7.066  -1.150   8.885
  541   HH21  ARG  67          HH21      ARG  67  -5.016  -3.844   8.028
  542   HH22  ARG  67          HH22      ARG  67  -5.037  -2.209   8.587
  543    H    PHE  68           HN       PHE  68  -6.961  -8.677   5.211
  544    HA   PHE  68           HA       PHE  68  -7.764  -8.705   2.417
  545    HB2  PHE  68           HB2      PHE  68  -5.273  -8.404   3.860
  546    HB3  PHE  68           HB1      PHE  68  -5.158  -9.563   2.537
  547    HD1  PHE  68           HD1      PHE  68  -5.453  -8.892   0.276
  548    HD2  PHE  68           HD2      PHE  68  -5.690  -6.064   3.434
  549    HE1  PHE  68           HE1      PHE  68  -5.216  -7.079  -1.347
  550    HE2  PHE  68           HE2      PHE  68  -5.453  -4.235   1.803
  551    HZ   PHE  68           HZ       PHE  68  -5.213  -4.768  -0.605
  552    H    LEU  69           HN       LEU  69  -7.472 -10.511   1.092
  553    HA   LEU  69           HA       LEU  69  -6.885 -13.039   2.386
  554    HB2  LEU  69           HB2      LEU  69  -9.400 -12.757   2.452
  555    HB3  LEU  69           HB1      LEU  69  -9.347 -12.590   0.726
  556    HG   LEU  69           HG       LEU  69  -8.363 -14.851   0.537
  557   HD11  LEU  69          HD11      LEU  69  -8.993 -15.050   3.462
  558   HD12  LEU  69          HD12      LEU  69  -7.393 -15.102   2.716
  559   HD13  LEU  69          HD13      LEU  69  -8.553 -16.392   2.407
  560   HD21  LEU  69          HD21      LEU  69 -10.445 -16.046   0.956
  561   HD22  LEU  69          HD22      LEU  69 -10.705 -14.487   0.169
  562   HD23  LEU  69          HD23      LEU  69 -11.036 -14.667   1.887
  563    H    ALA  70           HN       ALA  70  -5.915 -14.452   0.950
  564    HA   ALA  70           HA       ALA  70  -5.423 -13.594  -1.756
  565    HB1  ALA  70           HB1      ALA  70  -4.380 -15.874  -1.962
  566    HB2  ALA  70           HB2      ALA  70  -4.766 -16.162  -0.273
  567    HB3  ALA  70           HB3      ALA  70  -3.635 -14.874  -0.717
  568    H    LEU  71           HN       LEU  71  -7.093 -13.718  -3.041
  569    HA   LEU  71           HA       LEU  71  -9.267 -15.480  -2.661
  570    HB2  LEU  71           HB2      LEU  71  -8.408 -13.688  -4.929
  571    HB3  LEU  71           HB1      LEU  71  -9.932 -14.566  -4.908
  572    HG   LEU  71           HG       LEU  71  -9.254 -12.750  -2.617
  573   HD11  LEU  71          HD11      LEU  71 -10.464 -11.982  -5.242
  574   HD12  LEU  71          HD12      LEU  71  -8.901 -11.416  -4.617
  575   HD13  LEU  71          HD13      LEU  71 -10.407 -10.966  -3.807
  576   HD21  LEU  71          HD21      LEU  71 -11.194 -14.252  -2.527
  577   HD22  LEU  71          HD22      LEU  71 -11.772 -13.463  -4.020
  578   HD23  LEU  71          HD23      LEU  71 -11.628 -12.528  -2.533
  579    H    SER  72           HN       SER  72  -9.868 -16.591  -5.055
  580    HA   SER  72           HA       SER  72  -8.896 -19.072  -4.939
  581    HB2  SER  72           HB2      SER  72  -9.655 -19.303  -7.336
  582    HB3  SER  72           HB1      SER  72 -10.826 -18.636  -6.196
  583    HG   SER  72           HG       SER  72  -9.443 -17.383  -8.302
  584    H    ASP  73           HN       ASP  73  -7.240 -16.516  -6.687
  585    HA   ASP  73           HA       ASP  73  -5.324 -18.516  -7.740
  586    HB2  ASP  73           HB2      ASP  73  -5.897 -15.778  -8.875
  587    HB3  ASP  73           HB1      ASP  73  -4.895 -17.029  -9.589
  588    H    GLN  74           HN       GLN  74  -5.369 -16.848  -5.164
  589    HA   GLN  74           HA       GLN  74  -3.904 -15.840  -3.820
  590    HB2  GLN  74           HB2      GLN  74  -1.917 -16.761  -5.899
  591    HB3  GLN  74           HB1      GLN  74  -1.390 -15.772  -4.546
  592    HG2  GLN  74           HG2      GLN  74  -1.156 -18.317  -4.339
  593    HG3  GLN  74           HG1      GLN  74  -1.869 -17.452  -2.976
  594   HE21  GLN  74          HE21      GLN  74  -2.526 -19.466  -5.727
  595   HE22  GLN  74          HE22      GLN  74  -4.100 -19.956  -5.215
  596    H    THR  75           HN       THR  75  -5.015 -14.802  -6.298
  597    HA   THR  75           HA       THR  75  -3.928 -12.187  -6.660
  598    HB   THR  75           HB       THR  75  -6.698 -13.330  -7.118
  599    HG1  THR  75           HG1      THR  75  -4.346 -13.784  -8.298
  600   HG21  THR  75          HG21      THR  75  -6.668 -10.866  -7.186
  601   HG22  THR  75          HG22      THR  75  -6.955 -11.543  -8.788
  602   HG23  THR  75          HG23      THR  75  -5.363 -10.917  -8.368
  603    H    TRP  76           HN       TRP  76  -4.595 -10.328  -5.422
  604    HA   TRP  76           HA       TRP  76  -5.695 -11.200  -2.902
  605    HB2  TRP  76           HB2      TRP  76  -4.163  -8.704  -3.618
  606    HB3  TRP  76           HB1      TRP  76  -4.787  -9.088  -2.016
  607    HD1  TRP  76           HD1      TRP  76  -1.897  -9.780  -4.315
  608    HE1  TRP  76           HE1      TRP  76  -0.187 -11.291  -3.119
  609    HE3  TRP  76           HE3      TRP  76  -4.682 -11.108  -0.256
  610    HZ2  TRP  76           HZ2      TRP  76  -0.043 -12.843  -0.746
  611    HZ3  TRP  76           HZ3      TRP  76  -3.695 -12.613   1.420
  612    HH2  TRP  76           HH2      TRP  76  -1.425 -13.460   1.171
  613    H    GLY  77           HN       GLY  77  -7.120  -9.939  -1.797
  614    HA2  GLY  77           HA2      GLY  77  -8.488  -7.795  -2.919
  615    HA3  GLY  77           HA1      GLY  77  -9.409  -9.294  -3.102
  616    H    LEU  78           HN       LEU  78 -10.830  -8.147  -1.642
  617    HA   LEU  78           HA       LEU  78  -9.815  -8.193   1.079
  618    HB2  LEU  78           HB2      LEU  78 -12.146  -6.675  -0.044
  619    HB3  LEU  78           HB1      LEU  78 -11.701  -6.715   1.652
  620    HG   LEU  78           HG       LEU  78 -10.029  -5.594  -0.591
  621   HD11  LEU  78          HD11      LEU  78 -11.928  -4.207  -0.047
  622   HD12  LEU  78          HD12      LEU  78 -10.421  -3.462   0.495
  623   HD13  LEU  78          HD13      LEU  78 -11.487  -4.242   1.660
  624   HD21  LEU  78          HD21      LEU  78  -8.599  -6.563   1.107
  625   HD22  LEU  78          HD22      LEU  78  -9.498  -5.730   2.372
  626   HD23  LEU  78          HD23      LEU  78  -8.546  -4.804   1.213
  627    H    ARG  79           HN       ARG  79 -10.681  -9.255   2.568
  628    HA   ARG  79           HA       ARG  79 -12.115 -11.604   1.944
  629    HB2  ARG  79           HB2      ARG  79 -10.438 -11.558   3.664
  630    HB3  ARG  79           HB1      ARG  79 -11.264 -10.254   4.487
  631    HG2  ARG  79           HG2      ARG  79 -13.150 -11.789   4.904
  632    HG3  ARG  79           HG1      ARG  79 -12.166 -13.079   4.204
  633    HD2  ARG  79           HD2      ARG  79 -10.646 -13.037   5.914
  634    HD3  ARG  79           HD1      ARG  79 -11.099 -11.409   6.426
  635    HE   ARG  79           HE       ARG  79 -12.972 -13.646   6.650
  636   HH11  ARG  79          HH11      ARG  79 -10.927 -11.262   8.289
  637   HH12  ARG  79          HH12      ARG  79 -11.927 -11.173   9.669
  638   HH21  ARG  79          HH21      ARG  79 -14.403 -13.440   8.534
  639   HH22  ARG  79          HH22      ARG  79 -13.992 -12.309   9.724
  640    H    SER  80           HN       SER  80 -12.933  -8.458   3.122
  641    HA   SER  80           HA       SER  80 -15.290  -9.019   4.507
  642    HB2  SER  80           HB2      SER  80 -14.412  -6.429   3.287
  643    HB3  SER  80           HB1      SER  80 -15.493  -6.670   4.664
  644    HG   SER  80           HG       SER  80 -13.577  -7.913   5.529
  645    H    TRP  81           HN       TRP  81 -14.846  -9.052   1.142
  646    HA   TRP  81           HA       TRP  81 -17.421  -7.907   0.494
  647    HB2  TRP  81           HB2      TRP  81 -15.528  -9.465  -1.261
  648    HB3  TRP  81           HB1      TRP  81 -16.964  -8.620  -1.802
  649    HD1  TRP  81           HD1      TRP  81 -16.410  -5.813  -0.292
  650    HE1  TRP  81           HE1      TRP  81 -14.533  -4.296  -1.197
  651    HE3  TRP  81           HE3      TRP  81 -13.701  -9.356  -2.814
  652    HZ2  TRP  81           HZ2      TRP  81 -12.224  -4.596  -2.820
  653    HZ3  TRP  81           HZ3      TRP  81 -11.696  -8.652  -4.034
  654    HH2  TRP  81           HH2      TRP  81 -10.969  -6.338  -4.036
  655    H    TYR  82           HN       TYR  82 -16.258 -10.965   1.500
  656    HA   TYR  82           HA       TYR  82 -18.685 -12.270   0.480
  657    HB2  TYR  82           HB2      TYR  82 -15.986 -13.614   0.651
  658    HB3  TYR  82           HB1      TYR  82 -17.435 -14.216  -0.124
  659    HD1  TYR  82           HD1      TYR  82 -14.554 -12.021  -0.415
  660    HD2  TYR  82           HD2      TYR  82 -18.021 -13.447  -2.399
  661    HE1  TYR  82           HE1      TYR  82 -13.620 -11.253  -2.492
  662    HE2  TYR  82           HE2      TYR  82 -17.116 -12.637  -4.543
  663    HH   TYR  82           HH       TYR  82 -15.499 -10.981  -5.337
  Start of MODEL    9
    1    H1   GLY   2           HT1      GLY   2 -13.279   9.169  -0.146
    2    H2   GLY   2           HT2      GLY   2 -11.952   9.280   0.909
    3    H3   GLY   2           HT3      GLY   2 -12.191   7.890  -0.019
    4    HA2  GLY   2           HA1      GLY   2 -11.778   9.033  -2.026
    5    HA3  GLY   2           HA2      GLY   2 -11.618  10.552  -1.164
    6    H    ILE   3           HN       ILE   3 -10.218   7.472  -1.802
    7    HA   ILE   3           HA       ILE   3  -7.828   8.058  -0.250
    8    HB   ILE   3           HB       ILE   3  -8.726   5.853  -0.105
    9   HG12  ILE   3          HG12      ILE   3  -6.149   6.136  -0.232
   10   HG13  ILE   3          HG11      ILE   3  -6.787   4.512  -0.362
   11   HG21  ILE   3          HG21      ILE   3  -8.582   5.732  -3.070
   12   HG22  ILE   3          HG22      ILE   3 -10.001   5.646  -2.036
   13   HG23  ILE   3          HG23      ILE   3  -8.843   4.305  -2.071
   14   HD11  ILE   3          HD11      ILE   3  -5.827   6.251  -2.623
   15   HD12  ILE   3          HD12      ILE   3  -6.461   4.616  -2.800
   16   HD13  ILE   3          HD13      ILE   3  -4.957   4.890  -1.916
   17    H    LYS   4           HN       LYS   4  -8.768   7.898  -3.638
   18    HA   LYS   4           HA       LYS   4  -6.006   8.118  -4.396
   19    HB2  LYS   4           HB2      LYS   4  -8.494   7.767  -6.051
   20    HB3  LYS   4           HB1      LYS   4  -6.883   7.915  -6.747
   21    HG2  LYS   4           HG2      LYS   4  -6.146   5.951  -5.455
   22    HG3  LYS   4           HG1      LYS   4  -7.764   5.789  -4.797
   23    HD2  LYS   4           HD2      LYS   4  -7.083   5.623  -7.723
   24    HD3  LYS   4           HD1      LYS   4  -7.259   4.234  -6.654
   25    HE2  LYS   4           HE2      LYS   4  -9.581   4.862  -6.224
   26    HE3  LYS   4           HE1      LYS   4  -9.398   6.263  -7.276
   27    HZ1  LYS   4           HZ1      LYS   4  -9.040   3.458  -8.166
   28    HZ2  LYS   4           HZ2      LYS   4  -9.064   4.836  -9.149
   29    HZ3  LYS   4           HZ3      LYS   4 -10.468   4.322  -8.313
   30    H    GLN   5           HN       GLN   5  -7.415  10.317  -3.097
   31    HA   GLN   5           HA       GLN   5  -6.731  12.411  -5.047
   32    HB2  GLN   5           HB2      GLN   5  -8.072  13.954  -3.619
   33    HB3  GLN   5           HB1      GLN   5  -9.037  12.657  -4.310
   34    HG2  GLN   5           HG2      GLN   5  -9.002  11.468  -2.214
   35    HG3  GLN   5           HG1      GLN   5  -7.937  12.683  -1.513
   36   HE21  GLN   5          HE21      GLN   5 -11.155  12.003  -2.632
   37   HE22  GLN   5          HE22      GLN   5 -11.911  13.322  -1.817
   38    H    TYR   6           HN       TYR   6  -5.434  10.650  -2.741
   39    HA   TYR   6           HA       TYR   6  -4.195  12.745  -1.154
   40    HB2  TYR   6           HB2      TYR   6  -3.879   9.746  -1.124
   41    HB3  TYR   6           HB1      TYR   6  -3.035  10.836  -0.046
   42    HD1  TYR   6           HD2      TYR   6  -5.684  12.618   0.329
   43    HD2  TYR   6           HD1      TYR   6  -4.777   8.470   0.676
   44    HE1  TYR   6           HE2      TYR   6  -7.484  12.357   1.977
   45    HE2  TYR   6           HE1      TYR   6  -6.570   8.203   2.308
   46    HH   TYR   6           HH       TYR   6  -7.715   9.701   3.942
   47    H    SER   7           HN       SER   7  -2.152  13.414  -1.460
   48    HA   SER   7           HA       SER   7  -0.736  12.467  -3.819
   49    HB2  SER   7           HB2      SER   7  -0.930  14.913  -3.332
   50    HB3  SER   7           HB1      SER   7  -0.006  14.674  -1.859
   51    HG   SER   7           HG       SER   7   0.970  15.276  -4.107
   52    H    GLN   8           HN       GLN   8   1.721  12.653  -3.307
   53    HA   GLN   8           HA       GLN   8   2.245  10.006  -2.579
   54    HB2  GLN   8           HB2      GLN   8   3.583  11.254  -4.158
   55    HB3  GLN   8           HB1      GLN   8   4.207  12.239  -2.834
   56    HG2  GLN   8           HG2      GLN   8   4.705   9.865  -1.819
   57    HG3  GLN   8           HG1      GLN   8   4.697   9.475  -3.545
   58   HE21  GLN   8          HE21      GLN   8   5.735  12.006  -4.373
   59   HE22  GLN   8          HE22      GLN   8   7.408  11.999  -3.893
   60    H    GLU   9           HN       GLU   9   3.136  13.005  -0.795
   61    HA   GLU   9           HA       GLU   9   4.575  11.539   1.144
   62    HB2  GLU   9           HB2      GLU   9   5.030  13.924   0.423
   63    HB3  GLU   9           HB1      GLU   9   3.633  14.402   1.372
   64    HG2  GLU   9           HG2      GLU   9   5.749  14.770   2.536
   65    HG3  GLU   9           HG1      GLU   9   4.691  13.650   3.390
   66    H    GLU  10           HN       GLU  10   1.391  12.643   0.802
   67    HA   GLU  10           HA       GLU  10   0.337  12.192   3.360
   68    HB2  GLU  10           HB2      GLU  10  -0.860  13.298   1.529
   69    HB3  GLU  10           HB1      GLU  10  -0.838  11.797   0.606
   70    HG2  GLU  10           HG2      GLU  10  -3.026  12.192   1.618
   71    HG3  GLU  10           HG1      GLU  10  -2.268  10.758   2.314
   72    H    LEU  11           HN       LEU  11   0.563  10.116   0.519
   73    HA   LEU  11           HA       LEU  11  -0.373   7.779   1.774
   74    HB2  LEU  11           HB2      LEU  11   1.190   8.152  -0.772
   75    HB3  LEU  11           HB1      LEU  11   0.433   6.643  -0.287
   76    HG   LEU  11           HG       LEU  11  -1.086   9.216  -0.748
   77   HD11  LEU  11          HD11      LEU  11  -1.834   8.264  -2.823
   78   HD12  LEU  11          HD12      LEU  11  -0.862   6.825  -2.540
   79   HD13  LEU  11          HD13      LEU  11  -0.070   8.381  -2.825
   80   HD21  LEU  11          HD21      LEU  11  -3.045   7.724  -0.773
   81   HD22  LEU  11          HD22      LEU  11  -2.216   7.717   0.780
   82   HD23  LEU  11          HD23      LEU  11  -2.003   6.370  -0.341
   83    H    LYS  12           HN       LYS  12   2.759   9.173   1.520
   84    HA   LYS  12           HA       LYS  12   4.528   7.147   2.173
   85    HB2  LYS  12           HB2      LYS  12   4.382  10.038   2.879
   86    HB3  LYS  12           HB1      LYS  12   5.647   9.089   3.597
   87    HG2  LYS  12           HG2      LYS  12   5.228   9.349   0.630
   88    HG3  LYS  12           HG1      LYS  12   6.218  10.455   1.582
   89    HD2  LYS  12           HD2      LYS  12   7.490   8.393   2.359
   90    HD3  LYS  12           HD1      LYS  12   6.664   7.534   1.055
   91    HE2  LYS  12           HE2      LYS  12   8.824   8.303   0.262
   92    HE3  LYS  12           HE1      LYS  12   7.532   9.192  -0.550
   93    HZ1  LYS  12           HZ1      LYS  12   9.280  10.704   0.080
   94    HZ2  LYS  12           HZ2      LYS  12   9.266  10.173   1.660
   95    HZ3  LYS  12           HZ3      LYS  12   7.958  11.054   1.078
   96    H    GLU  13           HN       GLU  13   2.395   8.989   4.402
   97    HA   GLU  13           HA       GLU  13   3.431   7.360   6.583
   98    HB2  GLU  13           HB2      GLU  13   2.382   8.949   8.121
   99    HB3  GLU  13           HB1      GLU  13   3.483   9.747   7.014
  100    HG2  GLU  13           HG2      GLU  13   1.570  10.520   5.699
  101    HG3  GLU  13           HG1      GLU  13   0.480   9.705   6.821
  102    H    MET  14           HN       MET  14   0.924   7.278   4.496
  103    HA   MET  14           HA       MET  14  -1.160   6.347   6.252
  104    HB2  MET  14           HB2      MET  14  -0.812   6.255   3.259
  105    HB3  MET  14           HB1      MET  14  -2.182   5.506   4.052
  106    HG2  MET  14           HG2      MET  14  -1.491   8.429   4.255
  107    HG3  MET  14           HG1      MET  14  -2.611   7.757   3.074
  108    HE1  MET  14           HE1      MET  14  -5.534   6.449   5.351
  109    HE2  MET  14           HE2      MET  14  -4.158   5.504   4.794
  110    HE3  MET  14           HE3      MET  14  -4.945   6.640   3.699
  111    H    ALA  15           HN       ALA  15  -1.744   4.234   6.679
  112    HA   ALA  15           HA       ALA  15   0.256   2.261   6.677
  113    HB1  ALA  15           HB1      ALA  15  -1.528   0.723   7.373
  114    HB2  ALA  15           HB2      ALA  15  -2.736   1.910   6.891
  115    HB3  ALA  15           HB3      ALA  15  -1.658   2.256   8.238
  116    H    LEU  16           HN       LEU  16   0.819   0.818   5.203
  117    HA   LEU  16           HA       LEU  16  -0.030   1.239   2.574
  118    HB2  LEU  16           HB2      LEU  16   1.464  -0.601   1.864
  119    HB3  LEU  16           HB1      LEU  16   2.250   0.618   2.835
  120    HG   LEU  16           HG       LEU  16   1.418  -2.089   3.935
  121   HD11  LEU  16          HD11      LEU  16   4.081  -1.192   2.842
  122   HD12  LEU  16          HD12      LEU  16   2.996  -2.356   2.082
  123   HD13  LEU  16          HD13      LEU  16   3.753  -2.735   3.630
  124   HD21  LEU  16          HD21      LEU  16   1.854  -0.380   5.656
  125   HD22  LEU  16          HD22      LEU  16   3.394  -0.014   4.893
  126   HD23  LEU  16          HD23      LEU  16   3.132  -1.592   5.627
  127    H    VAL  17           HN       VAL  17  -0.935  -1.299   4.837
  128    HA   VAL  17           HA       VAL  17  -2.343  -2.734   2.812
  129    HB   VAL  17           HB       VAL  17  -1.549  -3.738   5.023
  130   HG11  VAL  17          HG11      VAL  17  -4.037  -2.452   6.106
  131   HG12  VAL  17          HG12      VAL  17  -2.394  -2.030   6.544
  132   HG13  VAL  17          HG13      VAL  17  -3.038  -3.622   6.957
  133   HG21  VAL  17          HG21      VAL  17  -4.417  -4.211   4.229
  134   HG22  VAL  17          HG22      VAL  17  -3.440  -5.301   5.214
  135   HG23  VAL  17          HG23      VAL  17  -2.995  -4.988   3.536
  136    H    GLU  18           HN       GLU  18  -3.047   0.019   4.718
  137    HA   GLU  18           HA       GLU  18  -5.894  -0.187   4.487
  138    HB2  GLU  18           HB2      GLU  18  -4.771   1.102   6.307
  139    HB3  GLU  18           HB1      GLU  18  -4.236   2.266   5.104
  140    HG2  GLU  18           HG2      GLU  18  -6.202   3.074   6.297
  141    HG3  GLU  18           HG1      GLU  18  -6.550   2.829   4.587
  142    H    ILE  19           HN       ILE  19  -3.323   1.616   2.875
  143    HA   ILE  19           HA       ILE  19  -4.840   3.022   0.987
  144    HB   ILE  19           HB       ILE  19  -2.122   1.754   0.473
  145   HG12  ILE  19          HG12      ILE  19  -2.726   4.517   1.562
  146   HG13  ILE  19          HG11      ILE  19  -2.145   3.168   2.531
  147   HG21  ILE  19          HG21      ILE  19  -3.468   4.147  -0.776
  148   HG22  ILE  19          HG22      ILE  19  -3.247   2.567  -1.534
  149   HG23  ILE  19          HG23      ILE  19  -1.840   3.570  -1.159
  150   HD11  ILE  19          HD11      ILE  19  -0.333   4.688   1.970
  151   HD12  ILE  19          HD12      ILE  19  -0.672   4.478   0.253
  152   HD13  ILE  19          HD13      ILE  19  -0.084   3.117   1.206
  153    H    ALA  20           HN       ALA  20  -3.448  -0.210   0.882
  154    HA   ALA  20           HA       ALA  20  -4.392  -0.946  -1.646
  155    HB1  ALA  20           HB1      ALA  20  -3.916  -3.238  -0.950
  156    HB2  ALA  20           HB2      ALA  20  -3.791  -2.712   0.728
  157    HB3  ALA  20           HB3      ALA  20  -2.613  -2.155  -0.460
  158    H    HIS  21           HN       HIS  21  -5.766  -1.456   1.603
  159    HA   HIS  21           HA       HIS  21  -8.040  -2.882   0.897
  160    HB2  HIS  21           HB2      HIS  21  -7.617  -2.714   3.221
  161    HB3  HIS  21           HB1      HIS  21  -7.491  -0.954   3.125
  162    HD1  HIS  21           HD1      HIS  21  -9.383   0.162   4.179
  163    HD2  HIS  21           HD2      HIS  21 -10.543  -3.484   2.576
  164    HE1  HIS  21           HE1      HIS  21 -11.852  -0.019   4.617
  165    HE2  HIS  21           HE2      HIS  21 -12.539  -1.976   3.251
  166    H    GLU  22           HN       GLU  22  -7.656   0.612   1.043
  167    HA   GLU  22           HA       GLU  22 -10.256   1.314   0.302
  168    HB2  GLU  22           HB2      GLU  22  -7.659   2.686  -0.276
  169    HB3  GLU  22           HB1      GLU  22  -9.249   3.440  -0.341
  170    HG2  GLU  22           HG2      GLU  22  -7.990   2.289   2.143
  171    HG3  GLU  22           HG1      GLU  22  -8.012   3.996   1.715
  172    H    LEU  23           HN       LEU  23  -7.349   0.807  -1.641
  173    HA   LEU  23           HA       LEU  23  -8.253   1.390  -4.211
  174    HB2  LEU  23           HB2      LEU  23  -5.927   1.044  -3.609
  175    HB3  LEU  23           HB1      LEU  23  -6.241  -0.620  -3.208
  176    HG   LEU  23           HG       LEU  23  -6.486  -1.171  -5.627
  177   HD11  LEU  23          HD11      LEU  23  -5.892   1.761  -6.040
  178   HD12  LEU  23          HD12      LEU  23  -7.452   0.992  -6.334
  179   HD13  LEU  23          HD13      LEU  23  -6.045   0.528  -7.289
  180   HD21  LEU  23          HD21      LEU  23  -4.191  -0.732  -6.236
  181   HD22  LEU  23          HD22      LEU  23  -4.317  -1.208  -4.536
  182   HD23  LEU  23          HD23      LEU  23  -4.082   0.486  -4.959
  183    H    PHE  24           HN       PHE  24  -8.313  -1.617  -2.458
  184    HA   PHE  24           HA       PHE  24  -9.493  -3.078  -4.631
  185    HB2  PHE  24           HB2      PHE  24  -8.887  -3.848  -1.791
  186    HB3  PHE  24           HB1      PHE  24  -9.715  -4.930  -2.904
  187    HD1  PHE  24           HD1      PHE  24  -6.617  -2.941  -2.528
  188    HD2  PHE  24           HD2      PHE  24  -8.506  -6.261  -4.324
  189    HE1  PHE  24           HE1      PHE  24  -4.457  -3.669  -3.416
  190    HE2  PHE  24           HE2      PHE  24  -6.344  -7.000  -5.200
  191    HZ   PHE  24           HZ       PHE  24  -4.337  -5.714  -4.760
  192    H    GLU  25           HN       GLU  25 -10.632  -1.569  -1.720
  193    HA   GLU  25           HA       GLU  25 -13.221  -2.705  -1.891
  194    HB2  GLU  25           HB2      GLU  25 -12.110  -1.808   0.202
  195    HB3  GLU  25           HB1      GLU  25 -12.418  -0.206  -0.431
  196    HG2  GLU  25           HG2      GLU  25 -14.751  -0.492  -0.304
  197    HG3  GLU  25           HG1      GLU  25 -14.577  -2.216   0.014
  198    H    GLU  26           HN       GLU  26 -11.679   0.072  -3.323
  199    HA   GLU  26           HA       GLU  26 -14.245   1.081  -4.082
  200    HB2  GLU  26           HB2      GLU  26 -13.152   3.084  -4.836
  201    HB3  GLU  26           HB1      GLU  26 -12.379   2.539  -3.354
  202    HG2  GLU  26           HG2      GLU  26 -10.626   3.283  -4.632
  203    HG3  GLU  26           HG1      GLU  26 -10.594   1.536  -4.841
  204    H    HIS  27           HN       HIS  27 -11.887  -0.976  -5.483
  205    HA   HIS  27           HA       HIS  27 -13.217  -0.793  -8.069
  206    HB2  HIS  27           HB2      HIS  27 -11.029  -2.655  -7.122
  207    HB3  HIS  27           HB1      HIS  27 -11.824  -2.866  -8.669
  208    HD1  HIS  27           HD1      HIS  27 -11.542  -0.623 -10.327
  209    HD2  HIS  27           HD2      HIS  27  -8.841  -1.101  -7.202
  210    HE1  HIS  27           HE1      HIS  27  -9.546   0.751 -10.927
  211    HE2  HIS  27           HE2      HIS  27  -8.162   0.731  -8.877
  212    H    LYS  28           HN       LYS  28 -13.170  -2.897  -5.285
  213    HA   LYS  28           HA       LYS  28 -14.530  -4.427  -4.479
  214    HB2  LYS  28           HB2      LYS  28 -16.446  -3.376  -6.561
  215    HB3  LYS  28           HB1      LYS  28 -16.903  -4.602  -5.376
  216    HG2  LYS  28           HG2      LYS  28 -16.460  -3.088  -3.578
  217    HG3  LYS  28           HG1      LYS  28 -15.807  -1.893  -4.691
  218    HD2  LYS  28           HD2      LYS  28 -17.998  -1.637  -5.716
  219    HD3  LYS  28           HD1      LYS  28 -18.661  -2.867  -4.628
  220    HE2  LYS  28           HE2      LYS  28 -18.183  -1.480  -2.711
  221    HE3  LYS  28           HE1      LYS  28 -17.356  -0.309  -3.733
  222    HZ1  LYS  28           HZ1      LYS  28 -20.245  -0.963  -3.945
  223    HZ2  LYS  28           HZ2      LYS  28 -19.369   0.214  -4.808
  224    HZ3  LYS  28           HZ3      LYS  28 -19.590   0.390  -3.156
  225    H    LYS  29           HN       LYS  29 -12.804  -4.851  -6.893
  226    HA   LYS  29           HA       LYS  29 -13.572  -7.622  -7.331
  227    HB2  LYS  29           HB2      LYS  29 -12.302  -5.754  -9.356
  228    HB3  LYS  29           HB1      LYS  29 -12.406  -7.490  -9.557
  229    HG2  LYS  29           HG2      LYS  29 -14.934  -7.138  -9.360
  230    HG3  LYS  29           HG1      LYS  29 -14.569  -5.435  -9.672
  231    HD2  LYS  29           HD2      LYS  29 -13.870  -7.787 -11.439
  232    HD3  LYS  29           HD1      LYS  29 -15.116  -6.586 -11.745
  233    HE2  LYS  29           HE2      LYS  29 -13.470  -4.871 -12.038
  234    HE3  LYS  29           HE1      LYS  29 -12.177  -5.948 -11.508
  235    HZ1  LYS  29           HZ1      LYS  29 -12.576  -7.324 -13.426
  236    HZ2  LYS  29           HZ2      LYS  29 -12.264  -5.744 -13.937
  237    HZ3  LYS  29           HZ3      LYS  29 -13.828  -6.346 -13.956
  238    HA   PRO  30           HA       PRO  30  -9.506  -8.283  -5.761
  239    HB2  PRO  30           HB2      PRO  30  -8.820 -10.543  -7.096
  240    HB3  PRO  30           HB1      PRO  30  -9.966 -10.533  -5.752
  241    HG2  PRO  30           HG2      PRO  30 -10.506 -10.526  -8.701
  242    HG3  PRO  30           HG1      PRO  30 -11.267 -11.508  -7.435
  243    HD2  PRO  30           HD2      PRO  30 -12.452  -9.320  -8.410
  244    HD3  PRO  30           HD1      PRO  30 -12.577  -9.755  -6.691
  245    H    VAL  31           HN       VAL  31  -7.456  -7.800  -6.329
  246    HA   VAL  31           HA       VAL  31  -6.951  -7.319  -9.171
  247    HB   VAL  31           HB       VAL  31  -5.977  -5.607  -6.842
  248   HG11  VAL  31          HG11      VAL  31  -5.584  -5.231  -9.791
  249   HG12  VAL  31          HG12      VAL  31  -4.352  -5.666  -8.607
  250   HG13  VAL  31          HG13      VAL  31  -5.121  -4.080  -8.540
  251   HG21  VAL  31          HG21      VAL  31  -7.373  -3.819  -7.755
  252   HG22  VAL  31          HG22      VAL  31  -8.340  -5.209  -7.256
  253   HG23  VAL  31          HG23      VAL  31  -8.013  -4.930  -8.967
  254    HA   PRO  32           HA       PRO  32  -3.557 -10.167  -8.351
  255    HB2  PRO  32           HB2      PRO  32  -2.414  -8.722 -10.693
  256    HB3  PRO  32           HB1      PRO  32  -2.603 -10.460 -10.429
  257    HG2  PRO  32           HG2      PRO  32  -4.218  -9.197 -12.099
  258    HG3  PRO  32           HG1      PRO  32  -4.845 -10.446 -11.006
  259    HD2  PRO  32           HD2      PRO  32  -5.052  -7.473 -10.798
  260    HD3  PRO  32           HD1      PRO  32  -6.246  -8.735 -10.418
  261    H    PHE  33           HN       PHE  33  -1.365  -9.997  -7.647
  262    HA   PHE  33           HA       PHE  33  -0.895  -7.738  -6.061
  263    HB2  PHE  33           HB2      PHE  33  -0.053 -10.074  -5.607
  264    HB3  PHE  33           HB1      PHE  33   1.167  -9.803  -6.857
  265    HD1  PHE  33           HD1      PHE  33   0.043  -8.881  -3.473
  266    HD2  PHE  33           HD2      PHE  33   3.081  -8.388  -6.426
  267    HE1  PHE  33           HE1      PHE  33   1.511  -7.886  -1.792
  268    HE2  PHE  33           HE2      PHE  33   4.554  -7.385  -4.731
  269    HZ   PHE  33           HZ       PHE  33   3.765  -7.135  -2.407
  270    H    GLN  34           HN       GLN  34   0.319  -8.694  -9.174
  271    HA   GLN  34           HA       GLN  34   2.185  -6.584  -9.351
  272    HB2  GLN  34           HB2      GLN  34   1.063  -8.490 -11.365
  273    HB3  GLN  34           HB1      GLN  34   2.164  -7.197 -11.828
  274    HG2  GLN  34           HG2      GLN  34   2.911  -9.045  -9.611
  275    HG3  GLN  34           HG1      GLN  34   3.095  -9.568 -11.286
  276   HE21  GLN  34          HE21      GLN  34   3.574  -6.175 -10.414
  277   HE22  GLN  34          HE22      GLN  34   5.269  -6.220 -10.612
  278    H    GLU  35           HN       GLU  35  -1.289  -6.703 -10.025
  279    HA   GLU  35           HA       GLU  35  -1.039  -4.365 -11.662
  280    HB2  GLU  35           HB2      GLU  35  -3.517  -5.736 -10.634
  281    HB3  GLU  35           HB1      GLU  35  -3.514  -4.328 -11.682
  282    HG2  GLU  35           HG2      GLU  35  -2.142  -5.813 -13.281
  283    HG3  GLU  35           HG1      GLU  35  -2.750  -7.143 -12.296
  284    H    LEU  36           HN       LEU  36  -1.968  -5.260  -8.410
  285    HA   LEU  36           HA       LEU  36  -2.807  -2.697  -7.630
  286    HB2  LEU  36           HB2      LEU  36  -2.689  -3.463  -5.337
  287    HB3  LEU  36           HB1      LEU  36  -3.277  -4.765  -6.324
  288    HG   LEU  36           HG       LEU  36  -0.855  -5.678  -6.245
  289   HD11  LEU  36          HD11      LEU  36  -0.709  -3.853  -3.862
  290   HD12  LEU  36          HD12      LEU  36   0.248  -3.736  -5.337
  291   HD13  LEU  36          HD13      LEU  36   0.446  -5.128  -4.273
  292   HD21  LEU  36          HD21      LEU  36  -1.250  -6.809  -4.104
  293   HD22  LEU  36          HD22      LEU  36  -2.679  -6.800  -5.128
  294   HD23  LEU  36          HD23      LEU  36  -2.557  -5.682  -3.759
  295    H    LEU  37           HN       LEU  37   0.288  -4.203  -7.876
  296    HA   LEU  37           HA       LEU  37   1.810  -2.294  -6.539
  297    HB2  LEU  37           HB2      LEU  37   2.633  -4.491  -7.052
  298    HB3  LEU  37           HB1      LEU  37   2.493  -4.197  -8.771
  299    HG   LEU  37           HG       LEU  37   4.329  -2.643  -8.707
  300   HD11  LEU  37          HD11      LEU  37   5.582  -2.268  -6.608
  301   HD12  LEU  37          HD12      LEU  37   4.312  -3.143  -5.736
  302   HD13  LEU  37          HD13      LEU  37   3.941  -1.630  -6.551
  303   HD21  LEU  37          HD21      LEU  37   4.871  -5.004  -8.929
  304   HD22  LEU  37          HD22      LEU  37   4.943  -5.158  -7.173
  305   HD23  LEU  37          HD23      LEU  37   6.127  -4.162  -8.017
  306    H    ASN  38           HN       ASN  38   0.935  -2.591  -9.952
  307    HA   ASN  38           HA       ASN  38   2.211  -0.185 -10.709
  308    HB2  ASN  38           HB2      ASN  38   0.131  -1.895 -12.042
  309    HB3  ASN  38           HB1      ASN  38   0.551  -0.325 -12.726
  310   HD21  ASN  38          HD21      ASN  38   0.985  -3.097 -13.685
  311   HD22  ASN  38          HD22      ASN  38   2.678  -3.198 -14.021
  312    H    GLU  39           HN       GLU  39  -1.069  -0.871  -9.625
  313    HA   GLU  39           HA       GLU  39  -2.258   1.640 -10.003
  314    HB2  GLU  39           HB2      GLU  39  -2.663  -0.331  -7.747
  315    HB3  GLU  39           HB1      GLU  39  -3.705   1.041  -8.057
  316    HG2  GLU  39           HG2      GLU  39  -3.264  -1.284  -9.914
  317    HG3  GLU  39           HG1      GLU  39  -4.640  -1.079  -8.834
  318    H    ILE  40           HN       ILE  40  -0.694   0.335  -7.111
  319    HA   ILE  40           HA       ILE  40  -0.919   2.690  -5.595
  320    HB   ILE  40           HB       ILE  40   0.897   0.286  -5.161
  321   HG12  ILE  40          HG12      ILE  40  -1.783   0.964  -3.929
  322   HG13  ILE  40          HG11      ILE  40  -1.528  -0.219  -5.206
  323   HG21  ILE  40          HG21      ILE  40   1.715   2.206  -3.898
  324   HG22  ILE  40          HG22      ILE  40   1.002   1.012  -2.812
  325   HG23  ILE  40          HG23      ILE  40   0.103   2.470  -3.229
  326   HD11  ILE  40          HD11      ILE  40  -0.154  -1.552  -3.690
  327   HD12  ILE  40          HD12      ILE  40  -1.773  -1.293  -3.041
  328   HD13  ILE  40          HD13      ILE  40  -0.410  -0.365  -2.410
  329    H    ALA  41           HN       ALA  41   1.766   1.389  -7.532
  330    HA   ALA  41           HA       ALA  41   3.570   3.382  -6.656
  331    HB1  ALA  41           HB1      ALA  41   5.052   2.643  -8.384
  332    HB2  ALA  41           HB2      ALA  41   3.743   1.705  -9.137
  333    HB3  ALA  41           HB3      ALA  41   4.336   1.287  -7.520
  334    H    SER  42           HN       SER  42   1.290   3.329  -9.328
  335    HA   SER  42           HA       SER  42   2.288   5.808 -10.362
  336    HB2  SER  42           HB2      SER  42   0.996   4.195 -11.782
  337    HB3  SER  42           HB1      SER  42  -0.423   4.496 -10.788
  338    HG   SER  42           HG       SER  42   0.465   6.848 -11.567
  339    H    LEU  43           HN       LEU  43  -0.165   4.868  -8.086
  340    HA   LEU  43           HA       LEU  43  -1.442   7.324  -7.675
  341    HB2  LEU  43           HB2      LEU  43  -2.236   5.114  -6.918
  342    HB3  LEU  43           HB1      LEU  43  -0.931   5.054  -5.757
  343    HG   LEU  43           HG       LEU  43  -1.928   7.029  -4.624
  344   HD11  LEU  43          HD11      LEU  43  -4.212   7.640  -5.138
  345   HD12  LEU  43          HD12      LEU  43  -4.231   6.512  -6.494
  346   HD13  LEU  43          HD13      LEU  43  -3.174   7.922  -6.533
  347   HD21  LEU  43          HD21      LEU  43  -2.311   4.763  -3.830
  348   HD22  LEU  43          HD22      LEU  43  -3.692   4.606  -4.917
  349   HD23  LEU  43          HD23      LEU  43  -3.738   5.769  -3.591
  350    H    LEU  44           HN       LEU  44   1.211   5.783  -5.906
  351    HA   LEU  44           HA       LEU  44   1.852   8.172  -4.423
  352    HB2  LEU  44           HB2      LEU  44   3.301   5.555  -4.851
  353    HB3  LEU  44           HB1      LEU  44   4.040   6.892  -4.017
  354    HG   LEU  44           HG       LEU  44   2.376   6.694  -2.218
  355   HD11  LEU  44          HD11      LEU  44   1.411   4.286  -3.730
  356   HD12  LEU  44          HD12      LEU  44   0.525   5.790  -3.575
  357   HD13  LEU  44          HD13      LEU  44   0.848   4.802  -2.136
  358   HD21  LEU  44          HD21      LEU  44   3.782   4.154  -2.967
  359   HD22  LEU  44          HD22      LEU  44   3.156   4.529  -1.360
  360   HD23  LEU  44          HD23      LEU  44   4.464   5.500  -2.052
  361    H    GLY  45           HN       GLY  45   2.800   9.806  -5.420
  362    HA2  GLY  45           HA2      GLY  45   4.047   9.664  -7.970
  363    HA3  GLY  45           HA1      GLY  45   4.207  11.010  -6.854
  364    H    VAL  46           HN       VAL  46   5.380   7.693  -7.215
  365    HA   VAL  46           HA       VAL  46   8.122   8.585  -6.563
  366    HB   VAL  46           HB       VAL  46   8.501   6.471  -5.314
  367   HG11  VAL  46          HG11      VAL  46   7.336   7.056  -3.250
  368   HG12  VAL  46          HG12      VAL  46   6.314   8.170  -4.161
  369   HG13  VAL  46          HG13      VAL  46   8.048   8.463  -4.039
  370   HG21  VAL  46          HG21      VAL  46   6.756   5.086  -6.261
  371   HG22  VAL  46          HG22      VAL  46   5.513   6.108  -5.556
  372   HG23  VAL  46          HG23      VAL  46   6.564   5.150  -4.507
  373    H    LYS  47           HN       LYS  47   9.661   6.707  -7.040
  374    HA   LYS  47           HA       LYS  47   8.873   5.415  -9.505
  375    HB2  LYS  47           HB2      LYS  47  11.204   4.684  -9.686
  376    HB3  LYS  47           HB1      LYS  47  11.156   6.408  -9.404
  377    HG2  LYS  47           HG2      LYS  47  11.826   6.027  -7.062
  378    HG3  LYS  47           HG1      LYS  47  11.857   4.282  -7.368
  379    HD2  LYS  47           HD2      LYS  47  13.499   4.692  -9.190
  380    HD3  LYS  47           HD1      LYS  47  13.559   6.386  -8.716
  381    HE2  LYS  47           HE2      LYS  47  14.347   4.025  -6.993
  382    HE3  LYS  47           HE1      LYS  47  15.457   5.057  -7.880
  383    HZ1  LYS  47           HZ1      LYS  47  15.454   5.760  -5.651
  384    HZ2  LYS  47           HZ2      LYS  47  13.836   5.706  -5.490
  385    HZ3  LYS  47           HZ3      LYS  47  14.555   6.949  -6.419
  386    H    LYS  48           HN       LYS  48   8.568   3.127  -9.613
  387    HA   LYS  48           HA       LYS  48   7.320   2.072  -7.438
  388    HB2  LYS  48           HB2      LYS  48   6.883   1.376  -9.694
  389    HB3  LYS  48           HB1      LYS  48   8.469   0.613  -9.813
  390    HG2  LYS  48           HG2      LYS  48   7.834  -0.922  -8.048
  391    HG3  LYS  48           HG1      LYS  48   6.268  -0.143  -7.923
  392    HD2  LYS  48           HD2      LYS  48   7.297  -1.577 -10.392
  393    HD3  LYS  48           HD1      LYS  48   6.202  -2.269  -9.201
  394    HE2  LYS  48           HE2      LYS  48   4.734  -1.559 -10.933
  395    HE3  LYS  48           HE1      LYS  48   4.666  -0.257  -9.769
  396    HZ1  LYS  48           HZ1      LYS  48   6.308  -0.292 -12.230
  397    HZ2  LYS  48           HZ2      LYS  48   6.187   1.040 -11.193
  398    HZ3  LYS  48           HZ3      LYS  48   4.854   0.500 -12.047
  399    H    GLU  49           HN       GLU  49  10.678   1.904  -8.197
  400    HA   GLU  49           HA       GLU  49  11.478  -0.340  -6.793
  401    HB2  GLU  49           HB2      GLU  49  12.981   2.265  -7.104
  402    HB3  GLU  49           HB1      GLU  49  13.702   0.693  -6.755
  403    HG2  GLU  49           HG2      GLU  49  12.927  -0.174  -8.879
  404    HG3  GLU  49           HG1      GLU  49  12.120   1.344  -9.232
  405    H    GLU  50           HN       GLU  50  10.806   2.904  -5.516
  406    HA   GLU  50           HA       GLU  50  11.712   2.672  -2.844
  407    HB2  GLU  50           HB2      GLU  50   9.104   3.980  -3.633
  408    HB3  GLU  50           HB1      GLU  50  10.162   4.416  -2.308
  409    HG2  GLU  50           HG2      GLU  50  10.731   4.761  -5.222
  410    HG3  GLU  50           HG1      GLU  50  10.199   6.032  -4.124
  411    H    LEU  51           HN       LEU  51   8.704   2.024  -4.406
  412    HA   LEU  51           HA       LEU  51   7.370   1.059  -2.123
  413    HB2  LEU  51           HB2      LEU  51   6.252   2.298  -3.929
  414    HB3  LEU  51           HB1      LEU  51   6.602   0.987  -5.024
  415    HG   LEU  51           HG       LEU  51   5.190  -0.481  -3.570
  416   HD11  LEU  51          HD11      LEU  51   3.534   0.612  -2.148
  417   HD12  LEU  51          HD12      LEU  51   4.427   2.129  -2.316
  418   HD13  LEU  51          HD13      LEU  51   5.183   0.729  -1.550
  419   HD21  LEU  51          HD21      LEU  51   3.091   0.358  -4.485
  420   HD22  LEU  51          HD22      LEU  51   4.397   0.361  -5.668
  421   HD23  LEU  51          HD23      LEU  51   3.892   1.872  -4.907
  422    H    GLY  52           HN       GLY  52   9.469  -0.304  -4.468
  423    HA2  GLY  52           HA2      GLY  52   8.527  -2.983  -4.530
  424    HA3  GLY  52           HA1      GLY  52  10.150  -2.443  -4.941
  425    H    ASP  53           HN       ASP  53  10.942  -1.307  -2.651
  426    HA   ASP  53           HA       ASP  53  11.706  -3.470  -0.950
  427    HB2  ASP  53           HB2      ASP  53  11.722  -0.482  -0.469
  428    HB3  ASP  53           HB1      ASP  53  12.390  -1.645   0.664
  429    H    ARG  54           HN       ARG  54   9.412  -0.908  -0.718
  430    HA   ARG  54           HA       ARG  54   8.234  -1.621   1.720
  431    HB2  ARG  54           HB2      ARG  54   8.030   0.597   0.759
  432    HB3  ARG  54           HB1      ARG  54   7.218  -0.084  -0.634
  433    HG2  ARG  54           HG2      ARG  54   5.239  -0.482   0.589
  434    HG3  ARG  54           HG1      ARG  54   6.053  -0.170   2.129
  435    HD2  ARG  54           HD2      ARG  54   5.911   1.878  -0.038
  436    HD3  ARG  54           HD1      ARG  54   4.620   1.757   1.140
  437    HE   ARG  54           HE       ARG  54   6.625   1.954   2.765
  438   HH11  ARG  54          HH11      ARG  54   6.176   3.796  -0.211
  439   HH12  ARG  54          HH12      ARG  54   7.292   5.031   0.228
  440   HH21  ARG  54          HH21      ARG  54   8.068   3.686   3.381
  441   HH22  ARG  54          HH22      ARG  54   8.334   4.994   2.337
  442    H    ILE  55           HN       ILE  55   7.923  -3.001  -1.435
  443    HA   ILE  55           HA       ILE  55   5.444  -4.278  -0.952
  444    HB   ILE  55           HB       ILE  55   7.185  -4.030  -3.249
  445   HG12  ILE  55          HG12      ILE  55   5.204  -4.520  -4.501
  446   HG13  ILE  55          HG11      ILE  55   4.335  -5.022  -3.046
  447   HG21  ILE  55          HG21      ILE  55   7.834  -6.347  -2.873
  448   HG22  ILE  55          HG22      ILE  55   6.853  -6.194  -4.335
  449   HG23  ILE  55          HG23      ILE  55   6.139  -6.831  -2.857
  450   HD11  ILE  55          HD11      ILE  55   4.669  -2.645  -2.227
  451   HD12  ILE  55          HD12      ILE  55   3.670  -2.809  -3.682
  452   HD13  ILE  55          HD13      ILE  55   5.352  -2.330  -3.828
  453    H    ALA  56           HN       ALA  56   8.799  -5.158  -0.557
  454    HA   ALA  56           HA       ALA  56   8.433  -7.849   0.161
  455    HB1  ALA  56           HB1      ALA  56  10.415  -5.846   1.264
  456    HB2  ALA  56           HB2      ALA  56  10.652  -6.856  -0.163
  457    HB3  ALA  56           HB3      ALA  56  10.535  -7.598   1.432
  458    H    GLN  57           HN       GLN  57   8.446  -4.895   2.069
  459    HA   GLN  57           HA       GLN  57   7.653  -6.052   4.529
  460    HB2  GLN  57           HB2      GLN  57   8.353  -3.511   3.692
  461    HB3  GLN  57           HB1      GLN  57   6.646  -3.332   4.060
  462    HG2  GLN  57           HG2      GLN  57   8.735  -4.390   5.961
  463    HG3  GLN  57           HG1      GLN  57   8.128  -2.752   5.933
  464   HE21  GLN  57          HE21      GLN  57   5.344  -3.513   5.560
  465   HE22  GLN  57          HE22      GLN  57   4.838  -4.194   7.057
  466    H    PHE  58           HN       PHE  58   5.920  -4.923   1.729
  467    HA   PHE  58           HA       PHE  58   3.352  -4.907   2.828
  468    HB2  PHE  58           HB2      PHE  58   3.999  -3.791   0.656
  469    HB3  PHE  58           HB1      PHE  58   4.047  -5.393  -0.067
  470    HD1  PHE  58           HD2      PHE  58   1.516  -4.080   2.323
  471    HD2  PHE  58           HD1      PHE  58   2.368  -5.245  -1.694
  472    HE1  PHE  58           HE2      PHE  58  -0.862  -3.907   1.772
  473    HE2  PHE  58           HE1      PHE  58  -0.019  -5.080  -2.231
  474    HZ   PHE  58           HZ       PHE  58  -1.634  -4.407  -0.509
  475    H    TYR  59           HN       TYR  59   5.163  -7.505   1.173
  476    HA   TYR  59           HA       TYR  59   3.137  -9.439   1.232
  477    HB2  TYR  59           HB2      TYR  59   6.119  -9.766   1.587
  478    HB3  TYR  59           HB1      TYR  59   5.021 -11.134   1.600
  479    HD1  TYR  59           HD2      TYR  59   3.626 -11.541  -0.503
  480    HD2  TYR  59           HD1      TYR  59   6.962  -8.930  -0.398
  481    HE1  TYR  59           HE2      TYR  59   3.847 -11.736  -2.946
  482    HE2  TYR  59           HE1      TYR  59   7.202  -9.113  -2.835
  483    HH   TYR  59           HH       TYR  59   6.624 -10.634  -4.588
  484    H    THR  60           HN       THR  60   5.555  -8.659   3.705
  485    HA   THR  60           HA       THR  60   4.745 -10.425   5.682
  486    HB   THR  60           HB       THR  60   5.949  -7.668   5.868
  487    HG1  THR  60           HG1      THR  60   7.383 -10.088   6.051
  488   HG21  THR  60          HG21      THR  60   5.127  -8.388   8.054
  489   HG22  THR  60          HG22      THR  60   6.886  -8.406   8.018
  490   HG23  THR  60          HG23      THR  60   5.984  -9.925   7.896
  491    H    ASP  61           HN       ASP  61   3.850  -7.034   5.268
  492    HA   ASP  61           HA       ASP  61   2.161  -6.688   7.490
  493    HB2  ASP  61           HB2      ASP  61   3.307  -4.919   6.094
  494    HB3  ASP  61           HB1      ASP  61   2.102  -5.204   4.854
  495    H    LEU  62           HN       LEU  62   1.486  -7.451   4.131
  496    HA   LEU  62           HA       LEU  62  -1.342  -7.324   4.293
  497    HB2  LEU  62           HB2      LEU  62   0.062  -6.929   2.297
  498    HB3  LEU  62           HB1      LEU  62   0.475  -8.619   2.284
  499    HG   LEU  62           HG       LEU  62  -1.856  -9.172   1.742
  500   HD11  LEU  62          HD11      LEU  62  -2.163  -6.174   1.644
  501   HD12  LEU  62          HD12      LEU  62  -2.937  -7.252   2.816
  502   HD13  LEU  62          HD13      LEU  62  -3.355  -7.352   1.104
  503   HD21  LEU  62          HD21      LEU  62  -0.200  -8.828  -0.005
  504   HD22  LEU  62          HD22      LEU  62  -0.578  -7.103  -0.031
  505   HD23  LEU  62          HD23      LEU  62  -1.795  -8.281  -0.520
  506    H    ASN  63           HN       ASN  63   1.047  -9.943   4.532
  507    HA   ASN  63           HA       ASN  63  -0.836 -12.059   4.268
  508    HB2  ASN  63           HB2      ASN  63   1.698 -12.230   3.941
  509    HB3  ASN  63           HB1      ASN  63   1.829 -12.290   5.690
  510   HD21  ASN  63          HD21      ASN  63   1.035 -13.994   2.840
  511   HD22  ASN  63          HD22      ASN  63   0.747 -15.544   3.528
  512    H    ILE  64           HN       ILE  64   0.159 -10.108   6.981
  513    HA   ILE  64           HA       ILE  64  -1.150 -11.979   8.773
  514    HB   ILE  64           HB       ILE  64  -0.284 -10.618  10.674
  515   HG12  ILE  64          HG12      ILE  64   1.738  -9.097  10.104
  516   HG13  ILE  64          HG11      ILE  64   1.070  -9.021   8.483
  517   HG21  ILE  64          HG21      ILE  64   1.771 -11.676   8.764
  518   HG22  ILE  64          HG22      ILE  64   0.878 -12.583   9.984
  519   HG23  ILE  64          HG23      ILE  64   2.044 -11.357  10.477
  520   HD11  ILE  64          HD11      ILE  64   0.470  -7.061   9.787
  521   HD12  ILE  64          HD12      ILE  64  -0.285  -8.087  11.009
  522   HD13  ILE  64          HD13      ILE  64  -0.968  -8.001   9.386
  523    H    ASP  65           HN       ASP  65  -2.303  -9.765   6.891
  524    HA   ASP  65           HA       ASP  65  -4.064  -8.420   8.777
  525    HB2  ASP  65           HB2      ASP  65  -3.170  -7.074   6.949
  526    HB3  ASP  65           HB1      ASP  65  -3.753  -8.232   5.763
  527    H    GLY  66           HN       GLY  66  -6.408  -8.654   8.671
  528    HA2  GLY  66           HA2      GLY  66  -7.183 -11.317   7.652
  529    HA3  GLY  66           HA1      GLY  66  -7.859 -10.566   9.112
  530    H    ARG  67           HN       ARG  67  -7.620  -8.174   6.872
  531    HA   ARG  67           HA       ARG  67 -10.420  -8.562   6.146
  532    HB2  ARG  67           HB2      ARG  67 -10.350  -6.079   5.519
  533    HB3  ARG  67           HB1      ARG  67 -10.175  -6.436   7.231
  534    HG2  ARG  67           HG2      ARG  67  -7.702  -6.242   6.899
  535    HG3  ARG  67           HG1      ARG  67  -8.044  -5.655   5.280
  536    HD2  ARG  67           HD2      ARG  67  -9.099  -3.714   6.110
  537    HD3  ARG  67           HD1      ARG  67  -9.174  -4.370   7.749
  538    HE   ARG  67           HE       ARG  67  -6.551  -4.411   7.208
  539   HH11  ARG  67          HH11      ARG  67  -8.946  -1.765   6.985
  540   HH12  ARG  67          HH12      ARG  67  -7.866  -0.526   7.397
  541   HH21  ARG  67          HH21      ARG  67  -5.074  -2.680   7.934
  542   HH22  ARG  67          HH22      ARG  67  -5.623  -1.074   8.031
  543    H    PHE  68           HN       PHE  68  -7.245  -8.259   4.917
  544    HA   PHE  68           HA       PHE  68  -8.077  -8.391   2.179
  545    HB2  PHE  68           HB2      PHE  68  -5.608  -7.950   3.623
  546    HB3  PHE  68           HB1      PHE  68  -5.414  -9.082   2.284
  547    HD1  PHE  68           HD1      PHE  68  -5.768  -8.424   0.041
  548    HD2  PHE  68           HD2      PHE  68  -6.242  -5.669   3.229
  549    HE1  PHE  68           HE1      PHE  68  -5.740  -6.584  -1.566
  550    HE2  PHE  68           HE2      PHE  68  -6.215  -3.819   1.625
  551    HZ   PHE  68           HZ       PHE  68  -5.968  -4.295  -0.789
  552    H    LEU  69           HN       LEU  69  -7.870 -10.091   0.894
  553    HA   LEU  69           HA       LEU  69  -7.274 -12.664   2.120
  554    HB2  LEU  69           HB2      LEU  69  -9.641 -12.396   2.256
  555    HB3  LEU  69           HB1      LEU  69  -9.756 -11.894   0.596
  556    HG   LEU  69           HG       LEU  69  -9.065 -14.195  -0.084
  557   HD11  LEU  69          HD11      LEU  69  -9.137 -15.968   1.573
  558   HD12  LEU  69          HD12      LEU  69  -9.377 -14.775   2.849
  559   HD13  LEU  69          HD13      LEU  69  -7.866 -14.803   1.943
  560   HD21  LEU  69          HD21      LEU  69 -11.406 -13.527   0.000
  561   HD22  LEU  69          HD22      LEU  69 -11.482 -14.015   1.697
  562   HD23  LEU  69          HD23      LEU  69 -11.198 -15.219   0.445
  563    H    ALA  70           HN       ALA  70  -5.780 -13.642   0.750
  564    HA   ALA  70           HA       ALA  70  -5.697 -12.815  -2.022
  565    HB1  ALA  70           HB1      ALA  70  -3.997 -14.595  -2.305
  566    HB2  ALA  70           HB2      ALA  70  -4.165 -15.036  -0.614
  567    HB3  ALA  70           HB3      ALA  70  -3.517 -13.443  -1.057
  568    H    LEU  71           HN       LEU  71  -6.909 -13.685  -3.428
  569    HA   LEU  71           HA       LEU  71  -8.525 -15.908  -2.722
  570    HB2  LEU  71           HB2      LEU  71  -8.123 -14.818  -5.516
  571    HB3  LEU  71           HB1      LEU  71  -9.527 -15.644  -4.873
  572    HG   LEU  71           HG       LEU  71  -8.651 -12.801  -4.501
  573   HD11  LEU  71          HD11      LEU  71 -10.886 -12.303  -5.241
  574   HD12  LEU  71          HD12      LEU  71 -11.191 -14.026  -5.451
  575   HD13  LEU  71          HD13      LEU  71  -9.944 -13.218  -6.416
  576   HD21  LEU  71          HD21      LEU  71 -10.776 -14.178  -2.833
  577   HD22  LEU  71          HD22      LEU  71 -10.526 -12.439  -2.947
  578   HD23  LEU  71          HD23      LEU  71  -9.268 -13.459  -2.254
  579    H    SER  72           HN       SER  72  -8.421 -17.719  -4.736
  580    HA   SER  72           HA       SER  72  -6.179 -19.179  -3.908
  581    HB2  SER  72           HB2      SER  72  -8.062 -19.694  -6.176
  582    HB3  SER  72           HB1      SER  72  -6.993 -20.883  -5.425
  583    HG   SER  72           HG       SER  72  -8.100 -20.192  -3.400
  584    H    ASP  73           HN       ASP  73  -6.448 -16.940  -6.463
  585    HA   ASP  73           HA       ASP  73  -4.100 -18.085  -7.778
  586    HB2  ASP  73           HB2      ASP  73  -6.024 -15.976  -8.764
  587    HB3  ASP  73           HB1      ASP  73  -4.561 -16.431  -9.621
  588    H    GLN  74           HN       GLN  74  -4.259 -16.453  -5.280
  589    HA   GLN  74           HA       GLN  74  -2.875 -15.117  -4.141
  590    HB2  GLN  74           HB2      GLN  74  -1.151 -15.117  -6.637
  591    HB3  GLN  74           HB1      GLN  74  -0.748 -14.186  -5.211
  592    HG2  GLN  74           HG2      GLN  74   0.549 -16.155  -5.121
  593    HG3  GLN  74           HG1      GLN  74  -0.718 -16.337  -3.921
  594   HE21  GLN  74          HE21      GLN  74  -1.125 -16.799  -7.379
  595   HE22  GLN  74          HE22      GLN  74  -1.456 -18.489  -7.277
  596    H    THR  75           HN       THR  75  -4.587 -14.270  -6.673
  597    HA   THR  75           HA       THR  75  -4.312 -11.529  -6.945
  598    HB   THR  75           HB       THR  75  -6.924 -13.035  -6.883
  599    HG1  THR  75           HG1      THR  75  -6.203 -13.432  -9.216
  600   HG21  THR  75          HG21      THR  75  -6.852 -10.601  -7.379
  601   HG22  THR  75          HG22      THR  75  -7.473 -11.573  -8.719
  602   HG23  THR  75          HG23      THR  75  -5.817 -10.957  -8.762
  603    H    TRP  76           HN       TRP  76  -4.796  -9.926  -5.407
  604    HA   TRP  76           HA       TRP  76  -5.810 -10.966  -2.910
  605    HB2  TRP  76           HB2      TRP  76  -4.321  -8.425  -3.567
  606    HB3  TRP  76           HB1      TRP  76  -5.032  -8.747  -1.991
  607    HD1  TRP  76           HD1      TRP  76  -2.130  -9.792  -4.232
  608    HE1  TRP  76           HE1      TRP  76  -0.454 -11.154  -2.859
  609    HE3  TRP  76           HE3      TRP  76  -4.842 -10.280   0.079
  610    HZ2  TRP  76           HZ2      TRP  76  -0.287 -12.298  -0.231
  611    HZ3  TRP  76           HZ3      TRP  76  -3.852 -11.506   1.965
  612    HH2  TRP  76           HH2      TRP  76  -1.627 -12.492   1.806
  613    H    GLY  77           HN       GLY  77  -7.432 -10.038  -1.856
  614    HA2  GLY  77           HA2      GLY  77  -8.809  -7.803  -2.932
  615    HA3  GLY  77           HA1      GLY  77  -9.671  -9.339  -3.086
  616    H    LEU  78           HN       LEU  78 -11.207  -8.641  -1.671
  617    HA   LEU  78           HA       LEU  78 -10.266  -8.327   1.082
  618    HB2  LEU  78           HB2      LEU  78 -12.842  -7.340  -0.125
  619    HB3  LEU  78           HB1      LEU  78 -12.370  -7.171   1.552
  620    HG   LEU  78           HG       LEU  78 -11.036  -5.865  -0.813
  621   HD11  LEU  78          HD11      LEU  78 -12.701  -4.732   1.419
  622   HD12  LEU  78          HD12      LEU  78 -13.184  -4.905  -0.270
  623   HD13  LEU  78          HD13      LEU  78 -11.873  -3.809   0.166
  624   HD21  LEU  78          HD21      LEU  78 -10.401  -5.668   2.137
  625   HD22  LEU  78          HD22      LEU  78  -9.709  -4.651   0.872
  626   HD23  LEU  78          HD23      LEU  78  -9.374  -6.379   0.889
  627    H    ARG  79           HN       ARG  79 -11.114  -9.518   2.600
  628    HA   ARG  79           HA       ARG  79 -12.179 -12.023   1.836
  629    HB2  ARG  79           HB2      ARG  79 -10.739 -11.912   3.762
  630    HB3  ARG  79           HB1      ARG  79 -11.770 -10.713   4.509
  631    HG2  ARG  79           HG2      ARG  79 -13.515 -12.333   4.829
  632    HG3  ARG  79           HG1      ARG  79 -12.578 -13.546   3.959
  633    HD2  ARG  79           HD2      ARG  79 -10.941 -13.614   5.599
  634    HD3  ARG  79           HD1      ARG  79 -11.548 -12.181   6.423
  635    HE   ARG  79           HE       ARG  79 -13.585 -14.029   6.409
  636   HH11  ARG  79          HH11      ARG  79 -10.268 -13.887   7.690
  637   HH12  ARG  79          HH12      ARG  79 -10.555 -15.104   8.837
  638   HH21  ARG  79          HH21      ARG  79 -13.957 -15.587   8.079
  639   HH22  ARG  79          HH22      ARG  79 -12.696 -16.045   9.130
  640    H    SER  80           HN       SER  80 -13.545  -9.063   2.950
  641    HA   SER  80           HA       SER  80 -15.942 -10.098   3.944
  642    HB2  SER  80           HB2      SER  80 -15.003  -7.914   4.604
  643    HB3  SER  80           HB1      SER  80 -15.376  -7.280   3.002
  644    HG   SER  80           HG       SER  80 -17.455  -8.487   4.315
  645    H    TRP  81           HN       TRP  81 -15.018 -10.168   0.789
  646    HA   TRP  81           HA       TRP  81 -17.589  -9.508  -0.393
  647    HB2  TRP  81           HB2      TRP  81 -15.168 -10.797  -1.619
  648    HB3  TRP  81           HB1      TRP  81 -16.606 -10.286  -2.479
  649    HD1  TRP  81           HD1      TRP  81 -16.718  -7.344  -0.959
  650    HE1  TRP  81           HE1      TRP  81 -15.068  -5.587  -1.805
  651    HE3  TRP  81           HE3      TRP  81 -13.338 -10.489  -3.176
  652    HZ2  TRP  81           HZ2      TRP  81 -12.621  -5.536  -3.255
  653    HZ3  TRP  81           HZ3      TRP  81 -11.392  -9.496  -4.283
  654    HH2  TRP  81           HH2      TRP  81 -11.037  -7.077  -4.318
  655    H    TYR  82           HN       TYR  82 -15.952 -12.278   0.910
  656    HA   TYR  82           HA       TYR  82 -17.940 -14.101  -0.250
  657    HB2  TYR  82           HB2      TYR  82 -14.985 -14.682  -0.191
  658    HB3  TYR  82           HB1      TYR  82 -16.231 -15.642  -0.954
  659    HD1  TYR  82           HD2      TYR  82 -17.377 -14.490  -3.075
  660    HD2  TYR  82           HD1      TYR  82 -13.665 -13.298  -1.374
  661    HE1  TYR  82           HE2      TYR  82 -16.709 -13.490  -5.225
  662    HE2  TYR  82           HE1      TYR  82 -12.976 -12.332  -3.463
  663    HH   TYR  82           HH       TYR  82 -15.099 -11.792  -6.113
  Start of MODEL   10
    1    H1   GLY   2           HT1      GLY   2 -12.570   6.837   0.611
    2    H2   GLY   2           HT2      GLY   2 -12.338   5.434  -0.260
    3    H3   GLY   2           HT3      GLY   2 -13.776   6.336  -0.469
    4    HA2  GLY   2           HA1      GLY   2 -12.303   6.732  -2.325
    5    HA3  GLY   2           HA2      GLY   2 -12.441   8.181  -1.334
    6    H    ILE   3           HN       ILE   3 -10.349   6.129  -2.827
    7    HA   ILE   3           HA       ILE   3  -8.211   6.569  -0.880
    8    HB   ILE   3           HB       ILE   3  -8.351   4.347  -1.192
    9   HG12  ILE   3          HG12      ILE   3  -6.220   5.326  -3.084
   10   HG13  ILE   3          HG11      ILE   3  -6.056   4.999  -1.365
   11   HG21  ILE   3          HG21      ILE   3  -9.895   4.206  -3.057
   12   HG22  ILE   3          HG22      ILE   3  -8.514   3.163  -3.396
   13   HG23  ILE   3          HG23      ILE   3  -8.645   4.738  -4.178
   14   HD11  ILE   3          HD11      ILE   3  -6.591   2.963  -3.497
   15   HD12  ILE   3          HD12      ILE   3  -6.364   2.663  -1.766
   16   HD13  ILE   3          HD13      ILE   3  -5.030   3.291  -2.738
   17    H    LYS   4           HN       LYS   4  -8.868   6.837  -4.333
   18    HA   LYS   4           HA       LYS   4  -6.191   7.535  -4.869
   19    HB2  LYS   4           HB2      LYS   4  -8.646   7.543  -6.596
   20    HB3  LYS   4           HB1      LYS   4  -7.053   7.973  -7.196
   21    HG2  LYS   4           HG2      LYS   4  -6.217   5.747  -6.650
   22    HG3  LYS   4           HG1      LYS   4  -7.782   5.309  -5.966
   23    HD2  LYS   4           HD2      LYS   4  -8.827   5.634  -8.160
   24    HD3  LYS   4           HD1      LYS   4  -7.273   6.083  -8.839
   25    HE2  LYS   4           HE2      LYS   4  -7.910   3.404  -7.610
   26    HE3  LYS   4           HE1      LYS   4  -7.938   3.748  -9.336
   27    HZ1  LYS   4           HZ1      LYS   4  -5.535   4.286  -9.183
   28    HZ2  LYS   4           HZ2      LYS   4  -5.899   2.702  -8.784
   29    HZ3  LYS   4           HZ3      LYS   4  -5.535   3.811  -7.562
   30    H    GLN   5           HN       GLN   5  -8.609   9.288  -3.608
   31    HA   GLN   5           HA       GLN   5  -7.830  11.877  -4.632
   32    HB2  GLN   5           HB2      GLN   5  -9.503  12.726  -3.029
   33    HB3  GLN   5           HB1      GLN   5 -10.147  11.517  -4.132
   34    HG2  GLN   5           HG2      GLN   5  -9.696   9.829  -2.285
   35    HG3  GLN   5           HG1      GLN   5  -9.480  11.225  -1.232
   36   HE21  GLN   5          HE21      GLN   5 -11.584   9.567  -3.298
   37   HE22  GLN   5          HE22      GLN   5 -13.097  10.130  -2.673
   38    H    TYR   6           HN       TYR   6  -6.609   9.775  -2.288
   39    HA   TYR   6           HA       TYR   6  -5.686  11.823  -0.470
   40    HB2  TYR   6           HB2      TYR   6  -4.766   8.964  -0.861
   41    HB3  TYR   6           HB1      TYR   6  -4.130  10.043   0.358
   42    HD1  TYR   6           HD1      TYR   6  -5.995  11.003   2.015
   43    HD2  TYR   6           HD2      TYR   6  -6.370   7.462  -0.290
   44    HE1  TYR   6           HE1      TYR   6  -7.606  10.110   3.651
   45    HE2  TYR   6           HE2      TYR   6  -7.956   6.553   1.302
   46    HH   TYR   6           HH       TYR   6  -9.405   8.456   3.727
   47    H    SER   7           HN       SER   7  -3.771  12.906  -0.656
   48    HA   SER   7           HA       SER   7  -2.547  12.710  -3.227
   49    HB2  SER   7           HB2      SER   7  -3.022  14.908  -2.162
   50    HB3  SER   7           HB1      SER   7  -1.877  14.510  -0.887
   51    HG   SER   7           HG       SER   7  -0.340  15.012  -2.074
   52    H    GLN   8           HN       GLN   8  -0.206  12.757  -3.359
   53    HA   GLN   8           HA       GLN   8   0.571  10.138  -2.732
   54    HB2  GLN   8           HB2      GLN   8   2.515  10.503  -4.008
   55    HB3  GLN   8           HB1      GLN   8   1.203  11.345  -4.793
   56    HG2  GLN   8           HG2      GLN   8   3.149  12.576  -2.968
   57    HG3  GLN   8           HG1      GLN   8   3.418  12.520  -4.700
   58   HE21  GLN   8          HE21      GLN   8   0.499  12.982  -5.266
   59   HE22  GLN   8          HE22      GLN   8   0.216  14.629  -4.907
   60    H    GLU   9           HN       GLU   9   1.338  13.120  -1.061
   61    HA   GLU   9           HA       GLU   9   3.620  12.065   0.274
   62    HB2  GLU   9           HB2      GLU   9   3.576  14.046   1.674
   63    HB3  GLU   9           HB1      GLU   9   3.255  14.512   0.023
   64    HG2  GLU   9           HG2      GLU   9   1.275  14.353   2.275
   65    HG3  GLU   9           HG1      GLU   9   1.884  15.802   1.480
   66    H    GLU  10           HN       GLU  10   0.246  12.332   0.977
   67    HA   GLU  10           HA       GLU  10   0.103  11.382   3.586
   68    HB2  GLU  10           HB2      GLU  10  -1.635  12.409   2.103
   69    HB3  GLU  10           HB1      GLU  10  -1.674  10.844   1.276
   70    HG2  GLU  10           HG2      GLU  10  -3.522  10.954   2.842
   71    HG3  GLU  10           HG1      GLU  10  -2.323   9.822   3.470
   72    H    LEU  11           HN       LEU  11  -0.259   9.850   0.502
   73    HA   LEU  11           HA       LEU  11  -0.713   7.249   1.285
   74    HB2  LEU  11           HB2      LEU  11   0.443   8.375  -1.216
   75    HB3  LEU  11           HB1      LEU  11  -0.042   6.702  -1.024
   76    HG   LEU  11           HG       LEU  11  -1.951   9.008  -0.664
   77   HD11  LEU  11          HD11      LEU  11  -2.739   8.454  -2.890
   78   HD12  LEU  11          HD12      LEU  11  -1.419   7.286  -3.058
   79   HD13  LEU  11          HD13      LEU  11  -1.065   9.007  -2.927
   80   HD21  LEU  11          HD21      LEU  11  -2.348   6.049  -1.098
   81   HD22  LEU  11          HD22      LEU  11  -3.629   7.249  -1.013
   82   HD23  LEU  11          HD23      LEU  11  -2.636   6.923   0.406
   83    H    LYS  12           HN       LYS  12   2.420   8.820   0.662
   84    HA   LYS  12           HA       LYS  12   3.804   6.320   0.748
   85    HB2  LYS  12           HB2      LYS  12   5.916   7.610   0.852
   86    HB3  LYS  12           HB1      LYS  12   4.871   8.121  -0.462
   87    HG2  LYS  12           HG2      LYS  12   4.370  10.130   0.539
   88    HG3  LYS  12           HG1      LYS  12   4.849   9.581   2.157
   89    HD2  LYS  12           HD2      LYS  12   6.494  11.134   1.314
   90    HD3  LYS  12           HD1      LYS  12   7.202   9.525   1.337
   91    HE2  LYS  12           HE2      LYS  12   6.744   9.319  -1.071
   92    HE3  LYS  12           HE1      LYS  12   6.079  10.953  -1.070
   93    HZ1  LYS  12           HZ1      LYS  12   8.326  11.094  -1.794
   94    HZ2  LYS  12           HZ2      LYS  12   8.861  10.119  -0.548
   95    HZ3  LYS  12           HZ3      LYS  12   8.323  11.683  -0.201
   96    H    GLU  13           HN       GLU  13   2.612   8.320   3.259
   97    HA   GLU  13           HA       GLU  13   4.425   6.973   5.125
   98    HB2  GLU  13           HB2      GLU  13   3.804   8.774   6.757
   99    HB3  GLU  13           HB1      GLU  13   4.737   9.292   5.357
  100    HG2  GLU  13           HG2      GLU  13   2.778  10.186   4.319
  101    HG3  GLU  13           HG1      GLU  13   1.761   9.534   5.593
  102    H    MET  14           HN       MET  14   1.259   6.917   4.088
  103    HA   MET  14           HA       MET  14   0.183   6.041   6.620
  104    HB2  MET  14           HB2      MET  14  -1.040   5.988   3.860
  105    HB3  MET  14           HB1      MET  14  -1.853   5.363   5.282
  106    HG2  MET  14           HG2      MET  14  -1.635   7.674   6.268
  107    HG3  MET  14           HG1      MET  14  -1.102   8.206   4.673
  108    HE1  MET  14           HE1      MET  14  -2.627   7.959   2.460
  109    HE2  MET  14           HE2      MET  14  -4.285   7.370   2.485
  110    HE3  MET  14           HE3      MET  14  -2.957   6.258   2.802
  111    H    ALA  15           HN       ALA  15  -1.088   3.839   6.517
  112    HA   ALA  15           HA       ALA  15   0.895   1.827   6.071
  113    HB1  ALA  15           HB1      ALA  15  -2.060   1.597   6.679
  114    HB2  ALA  15           HB2      ALA  15  -0.766   1.619   7.876
  115    HB3  ALA  15           HB3      ALA  15  -0.905   0.268   6.748
  116    H    LEU  16           HN       LEU  16   1.207   0.713   4.261
  117    HA   LEU  16           HA       LEU  16  -0.287   1.513   2.000
  118    HB2  LEU  16           HB2      LEU  16   1.137   0.072   0.579
  119    HB3  LEU  16           HB1      LEU  16   2.023   1.244   1.518
  120    HG   LEU  16           HG       LEU  16   1.860  -1.675   2.301
  121   HD11  LEU  16          HD11      LEU  16   2.790  -1.540   0.061
  122   HD12  LEU  16          HD12      LEU  16   4.103  -1.824   1.218
  123   HD13  LEU  16          HD13      LEU  16   3.842  -0.217   0.555
  124   HD21  LEU  16          HD21      LEU  16   3.919  -1.169   3.503
  125   HD22  LEU  16          HD22      LEU  16   2.652  -0.074   4.050
  126   HD23  LEU  16          HD23      LEU  16   3.880   0.484   2.912
  127    H    VAL  17           HN       VAL  17  -0.467  -1.190   4.052
  128    HA   VAL  17           HA       VAL  17  -2.086  -2.687   2.244
  129    HB   VAL  17           HB       VAL  17  -0.858  -3.613   4.280
  130   HG11  VAL  17          HG11      VAL  17  -3.264  -2.547   5.725
  131   HG12  VAL  17          HG12      VAL  17  -1.575  -2.110   5.994
  132   HG13  VAL  17          HG13      VAL  17  -2.144  -3.737   6.377
  133   HG21  VAL  17          HG21      VAL  17  -3.733  -4.395   3.858
  134   HG22  VAL  17          HG22      VAL  17  -2.507  -5.381   4.651
  135   HG23  VAL  17          HG23      VAL  17  -2.341  -4.975   2.944
  136    H    GLU  18           HN       GLU  18  -2.677  -0.065   4.411
  137    HA   GLU  18           HA       GLU  18  -5.513  -0.421   4.524
  138    HB2  GLU  18           HB2      GLU  18  -4.240   0.881   6.243
  139    HB3  GLU  18           HB1      GLU  18  -3.892   2.100   5.023
  140    HG2  GLU  18           HG2      GLU  18  -5.723   2.763   6.514
  141    HG3  GLU  18           HG1      GLU  18  -6.241   2.624   4.834
  142    H    ILE  19           HN       ILE  19  -3.240   1.440   2.654
  143    HA   ILE  19           HA       ILE  19  -4.943   2.741   0.864
  144    HB   ILE  19           HB       ILE  19  -2.198   1.523   0.367
  145   HG12  ILE  19          HG12      ILE  19  -2.959   4.338   1.169
  146   HG13  ILE  19          HG11      ILE  19  -2.231   3.133   2.221
  147   HG21  ILE  19          HG21      ILE  19  -1.968   3.101  -1.484
  148   HG22  ILE  19          HG22      ILE  19  -3.610   3.671  -1.204
  149   HG23  ILE  19          HG23      ILE  19  -3.334   2.010  -1.742
  150   HD11  ILE  19          HD11      ILE  19  -0.577   4.721   1.474
  151   HD12  ILE  19          HD12      ILE  19  -0.980   4.386  -0.206
  152   HD13  ILE  19          HD13      ILE  19  -0.225   3.137   0.780
  153    H    ALA  20           HN       ALA  20  -3.404  -0.441   0.700
  154    HA   ALA  20           HA       ALA  20  -4.532  -1.317  -1.676
  155    HB1  ALA  20           HB1      ALA  20  -3.720  -3.026   0.669
  156    HB2  ALA  20           HB2      ALA  20  -2.621  -2.390  -0.552
  157    HB3  ALA  20           HB3      ALA  20  -3.869  -3.549  -1.009
  158    H    HIS  21           HN       HIS  21  -5.892  -1.397   1.592
  159    HA   HIS  21           HA       HIS  21  -8.055  -3.152   1.071
  160    HB2  HIS  21           HB2      HIS  21  -8.133  -0.763   2.947
  161    HB3  HIS  21           HB1      HIS  21  -9.308  -2.078   2.867
  162    HD1  HIS  21           HD1      HIS  21  -7.295  -0.999   5.197
  163    HD2  HIS  21           HD2      HIS  21  -7.218  -4.607   3.175
  164    HE1  HIS  21           HE1      HIS  21  -6.062  -2.605   6.716
  165    HE2  HIS  21           HE2      HIS  21  -5.836  -4.689   5.402
  166    H    GLU  22           HN       GLU  22  -7.938   0.395   0.991
  167    HA   GLU  22           HA       GLU  22 -10.507   0.812  -0.045
  168    HB2  GLU  22           HB2      GLU  22  -8.010   2.410  -0.007
  169    HB3  GLU  22           HB1      GLU  22  -9.389   2.865  -1.002
  170    HG2  GLU  22           HG2      GLU  22  -9.606   2.406   1.957
  171    HG3  GLU  22           HG1      GLU  22  -9.335   3.994   1.230
  172    H    LEU  23           HN       LEU  23  -7.460   0.234  -1.594
  173    HA   LEU  23           HA       LEU  23  -8.090   0.912  -4.219
  174    HB2  LEU  23           HB2      LEU  23  -5.862   0.376  -3.234
  175    HB3  LEU  23           HB1      LEU  23  -6.313  -1.308  -3.245
  176    HG   LEU  23           HG       LEU  23  -6.275  -1.347  -5.688
  177   HD11  LEU  23          HD11      LEU  23  -7.108   0.965  -6.045
  178   HD12  LEU  23          HD12      LEU  23  -5.612   0.656  -6.918
  179   HD13  LEU  23          HD13      LEU  23  -5.581   1.590  -5.423
  180   HD21  LEU  23          HD21      LEU  23  -3.905  -0.873  -5.962
  181   HD22  LEU  23          HD22      LEU  23  -4.237  -1.676  -4.415
  182   HD23  LEU  23          HD23      LEU  23  -3.943   0.060  -4.458
  183    H    PHE  24           HN       PHE  24  -8.361  -2.157  -2.518
  184    HA   PHE  24           HA       PHE  24  -9.588  -3.430  -4.725
  185    HB2  PHE  24           HB2      PHE  24  -9.107  -4.288  -1.904
  186    HB3  PHE  24           HB1      PHE  24 -10.086  -5.262  -3.000
  187    HD1  PHE  24           HD2      PHE  24  -6.767  -3.973  -2.310
  188    HD2  PHE  24           HD1      PHE  24  -9.134  -6.354  -4.872
  189    HE1  PHE  24           HE2      PHE  24  -4.730  -4.905  -3.309
  190    HE2  PHE  24           HE1      PHE  24  -7.124  -7.294  -5.875
  191    HZ   PHE  24           HZ       PHE  24  -4.921  -6.583  -5.116
  192    H    GLU  25           HN       GLU  25 -10.811  -1.903  -1.816
  193    HA   GLU  25           HA       GLU  25 -13.465  -2.750  -2.280
  194    HB2  GLU  25           HB2      GLU  25 -12.762  -2.090  -0.057
  195    HB3  GLU  25           HB1      GLU  25 -12.361  -0.479  -0.617
  196    HG2  GLU  25           HG2      GLU  25 -14.438  -0.545   0.676
  197    HG3  GLU  25           HG1      GLU  25 -14.678   0.035  -0.961
  198    H    GLU  26           HN       GLU  26 -11.602  -0.151  -3.543
  199    HA   GLU  26           HA       GLU  26 -13.638   1.453  -4.669
  200    HB2  GLU  26           HB2      GLU  26 -11.098   1.904  -4.497
  201    HB3  GLU  26           HB1      GLU  26 -10.923   0.858  -5.886
  202    HG2  GLU  26           HG2      GLU  26 -12.309   3.538  -5.773
  203    HG3  GLU  26           HG1      GLU  26 -10.795   3.164  -6.562
  204    H    HIS  27           HN       HIS  27 -11.715  -1.223  -5.880
  205    HA   HIS  27           HA       HIS  27 -13.021  -1.191  -8.448
  206    HB2  HIS  27           HB2      HIS  27 -11.100  -3.248  -7.366
  207    HB3  HIS  27           HB1      HIS  27 -11.592  -3.073  -9.041
  208    HD1  HIS  27           HD1      HIS  27 -11.158   0.273  -8.819
  209    HD2  HIS  27           HD2      HIS  27  -8.441  -2.784  -7.983
  210    HE1  HIS  27           HE1      HIS  27  -8.921   1.264  -9.086
  211    HE2  HIS  27           HE2      HIS  27  -7.303  -0.637  -8.809
  212    H    LYS  28           HN       LYS  28 -13.125  -3.313  -5.625
  213    HA   LYS  28           HA       LYS  28 -14.290  -5.115  -5.045
  214    HB2  LYS  28           HB2      LYS  28 -16.359  -3.737  -6.743
  215    HB3  LYS  28           HB1      LYS  28 -16.723  -5.199  -5.830
  216    HG2  LYS  28           HG2      LYS  28 -16.094  -4.007  -3.760
  217    HG3  LYS  28           HG1      LYS  28 -15.834  -2.546  -4.714
  218    HD2  LYS  28           HD2      LYS  28 -18.151  -2.532  -5.393
  219    HD3  LYS  28           HD1      LYS  28 -18.431  -4.065  -4.570
  220    HE2  LYS  28           HE2      LYS  28 -17.646  -1.467  -3.247
  221    HE3  LYS  28           HE1      LYS  28 -19.260  -2.171  -3.266
  222    HZ1  LYS  28           HZ1      LYS  28 -18.260  -4.135  -2.063
  223    HZ2  LYS  28           HZ2      LYS  28 -18.244  -2.665  -1.219
  224    HZ3  LYS  28           HZ3      LYS  28 -16.841  -3.205  -1.883
  225    H    LYS  29           HN       LYS  29 -12.507  -5.487  -6.968
  226    HA   LYS  29           HA       LYS  29 -13.554  -7.752  -8.432
  227    HB2  LYS  29           HB2      LYS  29 -11.814  -5.571  -9.640
  228    HB3  LYS  29           HB1      LYS  29 -12.278  -7.058 -10.452
  229    HG2  LYS  29           HG2      LYS  29 -14.617  -6.363 -10.417
  230    HG3  LYS  29           HG1      LYS  29 -14.181  -4.887  -9.567
  231    HD2  LYS  29           HD2      LYS  29 -13.287  -5.668 -12.347
  232    HD3  LYS  29           HD1      LYS  29 -14.545  -4.498 -11.964
  233    HE2  LYS  29           HE2      LYS  29 -12.869  -3.130 -10.786
  234    HE3  LYS  29           HE1      LYS  29 -11.637  -4.307 -11.246
  235    HZ1  LYS  29           HZ1      LYS  29 -11.600  -2.469 -12.721
  236    HZ2  LYS  29           HZ2      LYS  29 -13.229  -2.612 -13.079
  237    HZ3  LYS  29           HZ3      LYS  29 -12.134  -3.813 -13.584
  238    HA   PRO  30           HA       PRO  30  -9.704  -9.175  -6.697
  239    HB2  PRO  30           HB2      PRO  30  -9.463 -11.454  -8.453
  240    HB3  PRO  30           HB1      PRO  30 -10.113 -11.368  -6.853
  241    HG2  PRO  30           HG2      PRO  30 -11.627 -11.859  -9.118
  242    HG3  PRO  30           HG1      PRO  30 -12.249 -11.362  -7.540
  243    HD2  PRO  30           HD2      PRO  30 -11.738  -9.725  -9.976
  244    HD3  PRO  30           HD1      PRO  30 -13.036  -9.601  -8.769
  245    H    VAL  31           HN       VAL  31  -7.745  -8.415  -7.006
  246    HA   VAL  31           HA       VAL  31  -6.797  -7.993  -9.756
  247    HB   VAL  31           HB       VAL  31  -6.232  -6.246  -7.324
  248   HG11  VAL  31          HG11      VAL  31  -5.136  -4.704  -8.858
  249   HG12  VAL  31          HG12      VAL  31  -5.367  -5.851 -10.174
  250   HG13  VAL  31          HG13      VAL  31  -4.329  -6.274  -8.814
  251   HG21  VAL  31          HG21      VAL  31  -7.918  -5.698  -9.756
  252   HG22  VAL  31          HG22      VAL  31  -7.482  -4.519  -8.522
  253   HG23  VAL  31          HG23      VAL  31  -8.496  -5.906  -8.097
  254    HA   PRO  32           HA       PRO  32  -3.334 -10.612  -8.555
  255    HB2  PRO  32           HB2      PRO  32  -2.005  -9.095 -10.735
  256    HB3  PRO  32           HB1      PRO  32  -2.152 -10.841 -10.506
  257    HG2  PRO  32           HG2      PRO  32  -3.604  -9.622 -12.343
  258    HG3  PRO  32           HG1      PRO  32  -4.315 -10.902 -11.336
  259    HD2  PRO  32           HD2      PRO  32  -4.601  -7.933 -11.113
  260    HD3  PRO  32           HD1      PRO  32  -5.818  -9.222 -10.954
  261    H    PHE  33           HN       PHE  33  -1.312 -10.354  -7.678
  262    HA   PHE  33           HA       PHE  33  -0.990  -8.407  -5.803
  263    HB2  PHE  33           HB2      PHE  33   0.124 -10.600  -5.783
  264    HB3  PHE  33           HB1      PHE  33   1.169 -10.039  -7.098
  265    HD1  PHE  33           HD1      PHE  33   0.359  -9.607  -3.528
  266    HD2  PHE  33           HD2      PHE  33   3.055  -8.689  -6.690
  267    HE1  PHE  33           HE1      PHE  33   1.973  -8.729  -1.895
  268    HE2  PHE  33           HE2      PHE  33   4.663  -7.810  -5.091
  269    HZ   PHE  33           HZ       PHE  33   4.126  -7.830  -2.660
  270    H    GLN  34           HN       GLN  34   0.772  -8.548  -8.878
  271    HA   GLN  34           HA       GLN  34   2.366  -6.311  -8.147
  272    HB2  GLN  34           HB2      GLN  34   3.198  -8.134  -9.569
  273    HB3  GLN  34           HB1      GLN  34   2.115  -7.620 -10.846
  274    HG2  GLN  34           HG2      GLN  34   4.403  -6.907 -11.266
  275    HG3  GLN  34           HG1      GLN  34   3.319  -5.534 -11.049
  276   HE21  GLN  34          HE21      GLN  34   6.240  -5.870 -10.775
  277   HE22  GLN  34          HE22      GLN  34   6.675  -5.338  -9.214
  278    H    GLU  35           HN       GLU  35  -0.658  -6.554  -9.829
  279    HA   GLU  35           HA       GLU  35  -0.356  -4.041 -11.140
  280    HB2  GLU  35           HB2      GLU  35  -2.796  -5.744 -10.676
  281    HB3  GLU  35           HB1      GLU  35  -2.801  -4.237 -11.576
  282    HG2  GLU  35           HG2      GLU  35  -1.142  -5.246 -13.136
  283    HG3  GLU  35           HG1      GLU  35  -1.358  -6.777 -12.285
  284    H    LEU  36           HN       LEU  36  -1.740  -5.184  -8.125
  285    HA   LEU  36           HA       LEU  36  -3.024  -2.746  -7.524
  286    HB2  LEU  36           HB2      LEU  36  -3.488  -3.641  -5.373
  287    HB3  LEU  36           HB1      LEU  36  -3.471  -5.026  -6.431
  288    HG   LEU  36           HG       LEU  36  -0.937  -5.116  -5.529
  289   HD11  LEU  36          HD11      LEU  36  -2.502  -3.905  -3.266
  290   HD12  LEU  36          HD12      LEU  36  -1.138  -3.180  -4.115
  291   HD13  LEU  36          HD13      LEU  36  -0.898  -4.626  -3.133
  292   HD21  LEU  36          HD21      LEU  36  -2.596  -6.946  -5.447
  293   HD22  LEU  36          HD22      LEU  36  -3.275  -6.231  -3.976
  294   HD23  LEU  36          HD23      LEU  36  -1.624  -6.834  -3.985
  295    H    LEU  37           HN       LEU  37   0.224  -4.006  -7.001
  296    HA   LEU  37           HA       LEU  37   1.156  -1.893  -5.381
  297    HB2  LEU  37           HB2      LEU  37   2.483  -4.036  -6.963
  298    HB3  LEU  37           HB1      LEU  37   3.448  -2.672  -6.461
  299    HG   LEU  37           HG       LEU  37   3.782  -4.467  -4.949
  300   HD11  LEU  37          HD11      LEU  37   3.790  -2.269  -4.010
  301   HD12  LEU  37          HD12      LEU  37   3.209  -3.443  -2.827
  302   HD13  LEU  37          HD13      LEU  37   2.068  -2.368  -3.639
  303   HD21  LEU  37          HD21      LEU  37   1.996  -5.423  -3.583
  304   HD22  LEU  37          HD22      LEU  37   1.750  -5.725  -5.304
  305   HD23  LEU  37          HD23      LEU  37   0.818  -4.469  -4.485
  306    H    ASN  38           HN       ASN  38   0.842  -2.291  -8.821
  307    HA   ASN  38           HA       ASN  38   2.462  -0.006  -9.292
  308    HB2  ASN  38           HB2      ASN  38   0.901  -1.760 -11.156
  309    HB3  ASN  38           HB1      ASN  38   1.567  -0.220 -11.720
  310   HD21  ASN  38          HD21      ASN  38   2.343  -2.980 -12.444
  311   HD22  ASN  38          HD22      ASN  38   4.018  -3.056 -12.128
  312    H    GLU  39           HN       GLU  39  -0.986  -0.539  -9.007
  313    HA   GLU  39           HA       GLU  39  -1.688   2.108  -9.665
  314    HB2  GLU  39           HB2      GLU  39  -2.980   0.205  -7.711
  315    HB3  GLU  39           HB1      GLU  39  -3.641   1.777  -8.115
  316    HG2  GLU  39           HG2      GLU  39  -3.704   0.986 -10.505
  317    HG3  GLU  39           HG1      GLU  39  -3.356  -0.628  -9.876
  318    H    ILE  40           HN       ILE  40  -0.800   0.578  -6.622
  319    HA   ILE  40           HA       ILE  40  -0.936   2.811  -4.973
  320    HB   ILE  40           HB       ILE  40   0.881   0.385  -4.800
  321   HG12  ILE  40          HG12      ILE  40  -1.633   1.129  -3.286
  322   HG13  ILE  40          HG11      ILE  40  -1.518  -0.065  -4.571
  323   HG21  ILE  40          HG21      ILE  40   1.954   2.207  -3.582
  324   HG22  ILE  40          HG22      ILE  40   1.350   0.977  -2.473
  325   HG23  ILE  40          HG23      ILE  40   0.467   2.490  -2.675
  326   HD11  ILE  40          HD11      ILE  40  -0.044  -1.422  -3.166
  327   HD12  ILE  40          HD12      ILE  40  -1.601  -1.128  -2.392
  328   HD13  ILE  40          HD13      ILE  40  -0.176  -0.224  -1.878
  329    H    ALA  41           HN       ALA  41   1.892   1.576  -6.748
  330    HA   ALA  41           HA       ALA  41   3.744   3.435  -5.903
  331    HB1  ALA  41           HB1      ALA  41   4.214   1.401  -7.193
  332    HB2  ALA  41           HB2      ALA  41   5.075   2.834  -7.755
  333    HB3  ALA  41           HB3      ALA  41   3.666   2.239  -8.652
  334    H    SER  42           HN       SER  42   1.713   3.712  -8.831
  335    HA   SER  42           HA       SER  42   2.756   6.339  -9.326
  336    HB2  SER  42           HB2      SER  42   2.065   4.863 -11.188
  337    HB3  SER  42           HB1      SER  42   0.396   4.947 -10.629
  338    HG   SER  42           HG       SER  42   0.387   7.132 -11.087
  339    H    LEU  43           HN       LEU  43   0.066   5.157  -7.553
  340    HA   LEU  43           HA       LEU  43  -1.284   7.647  -7.453
  341    HB2  LEU  43           HB2      LEU  43  -2.242   5.382  -6.851
  342    HB3  LEU  43           HB1      LEU  43  -1.287   5.438  -5.388
  343    HG   LEU  43           HG       LEU  43  -2.548   7.444  -4.679
  344   HD11  LEU  43          HD11      LEU  43  -3.153   8.274  -6.875
  345   HD12  LEU  43          HD12      LEU  43  -4.557   8.080  -5.844
  346   HD13  LEU  43          HD13      LEU  43  -4.223   6.895  -7.110
  347   HD21  LEU  43          HD21      LEU  43  -4.612   6.274  -4.145
  348   HD22  LEU  43          HD22      LEU  43  -3.221   5.212  -3.935
  349   HD23  LEU  43          HD23      LEU  43  -4.250   5.051  -5.359
  350    H    LEU  44           HN       LEU  44   1.263   6.106  -5.694
  351    HA   LEU  44           HA       LEU  44   1.616   8.235  -3.787
  352    HB2  LEU  44           HB2      LEU  44   3.045   5.686  -4.378
  353    HB3  LEU  44           HB1      LEU  44   3.854   6.930  -3.464
  354    HG   LEU  44           HG       LEU  44   2.115   6.750  -1.728
  355   HD11  LEU  44          HD11      LEU  44   0.571   4.850  -1.778
  356   HD12  LEU  44          HD12      LEU  44   1.101   4.511  -3.438
  357   HD13  LEU  44          HD13      LEU  44   0.275   6.025  -3.068
  358   HD21  LEU  44          HD21      LEU  44   4.150   5.526  -1.550
  359   HD22  LEU  44          HD22      LEU  44   3.490   4.208  -2.520
  360   HD23  LEU  44          HD23      LEU  44   2.821   4.548  -0.912
  361    H    GLY  45           HN       GLY  45   3.600   9.196  -3.593
  362    HA2  GLY  45           HA2      GLY  45   4.841  10.022  -6.137
  363    HA3  GLY  45           HA1      GLY  45   5.024  10.874  -4.599
  364    H    VAL  46           HN       VAL  46   5.681   7.761  -6.073
  365    HA   VAL  46           HA       VAL  46   8.330   7.709  -4.854
  366    HB   VAL  46           HB       VAL  46   8.060   5.369  -4.153
  367   HG11  VAL  46          HG11      VAL  46   7.671   6.951  -2.410
  368   HG12  VAL  46          HG12      VAL  46   6.497   5.641  -2.246
  369   HG13  VAL  46          HG13      VAL  46   6.007   7.187  -2.936
  370   HG21  VAL  46          HG21      VAL  46   6.365   4.628  -5.711
  371   HG22  VAL  46          HG22      VAL  46   5.172   5.675  -4.953
  372   HG23  VAL  46          HG23      VAL  46   5.828   4.302  -4.059
  373    H    LYS  47           HN       LYS  47   9.725   6.282  -6.005
  374    HA   LYS  47           HA       LYS  47   8.768   5.666  -8.679
  375    HB2  LYS  47           HB2      LYS  47  11.121   5.175  -9.224
  376    HB3  LYS  47           HB1      LYS  47  10.979   6.746  -8.481
  377    HG2  LYS  47           HG2      LYS  47  11.813   5.891  -6.381
  378    HG3  LYS  47           HG1      LYS  47  11.852   4.256  -7.037
  379    HD2  LYS  47           HD2      LYS  47  13.519   4.937  -8.681
  380    HD3  LYS  47           HD1      LYS  47  13.453   6.594  -8.078
  381    HE2  LYS  47           HE2      LYS  47  14.306   5.893  -5.937
  382    HE3  LYS  47           HE1      LYS  47  14.257   4.204  -6.426
  383    HZ1  LYS  47           HZ1      LYS  47  16.477   5.168  -6.551
  384    HZ2  LYS  47           HZ2      LYS  47  15.969   6.288  -7.686
  385    HZ3  LYS  47           HZ3      LYS  47  15.970   4.636  -8.061
  386    H    LYS  48           HN       LYS  48   8.806   3.502  -9.486
  387    HA   LYS  48           HA       LYS  48   7.757   1.620  -7.792
  388    HB2  LYS  48           HB2      LYS  48   7.475   1.467 -10.180
  389    HB3  LYS  48           HB1      LYS  48   9.191   1.150 -10.395
  390    HG2  LYS  48           HG2      LYS  48   8.179  -0.960 -10.591
  391    HG3  LYS  48           HG1      LYS  48   8.867  -0.831  -8.962
  392    HD2  LYS  48           HD2      LYS  48   6.683  -0.570  -7.942
  393    HD3  LYS  48           HD1      LYS  48   5.901  -0.369  -9.502
  394    HE2  LYS  48           HE2      LYS  48   6.526  -2.667 -10.080
  395    HE3  LYS  48           HE1      LYS  48   7.244  -2.845  -8.465
  396    HZ1  LYS  48           HZ1      LYS  48   5.028  -2.378  -7.562
  397    HZ2  LYS  48           HZ2      LYS  48   5.030  -3.747  -8.569
  398    HZ3  LYS  48           HZ3      LYS  48   4.458  -2.256  -9.159
  399    H    GLU  49           HN       GLU  49  11.142   2.079  -8.554
  400    HA   GLU  49           HA       GLU  49  12.307  -0.232  -7.510
  401    HB2  GLU  49           HB2      GLU  49  13.235   2.621  -7.403
  402    HB3  GLU  49           HB1      GLU  49  14.240   1.259  -6.937
  403    HG2  GLU  49           HG2      GLU  49  14.365   0.466  -9.115
  404    HG3  GLU  49           HG1      GLU  49  12.988   1.429  -9.649
  405    H    GLU  50           HN       GLU  50  11.583   2.778  -5.740
  406    HA   GLU  50           HA       GLU  50  12.461   1.702  -3.226
  407    HB2  GLU  50           HB2      GLU  50  11.755   3.817  -2.287
  408    HB3  GLU  50           HB1      GLU  50  12.606   4.121  -3.797
  409    HG2  GLU  50           HG2      GLU  50  10.374   4.257  -4.914
  410    HG3  GLU  50           HG1      GLU  50   9.661   4.146  -3.322
  411    H    LEU  51           HN       LEU  51   9.514   1.976  -4.981
  412    HA   LEU  51           HA       LEU  51   7.780   1.327  -2.836
  413    HB2  LEU  51           HB2      LEU  51   7.123   2.517  -4.953
  414    HB3  LEU  51           HB1      LEU  51   7.387   1.031  -5.823
  415    HG   LEU  51           HG       LEU  51   4.989   1.710  -5.376
  416   HD11  LEU  51          HD11      LEU  51   4.192  -0.523  -4.989
  417   HD12  LEU  51          HD12      LEU  51   5.785  -1.019  -4.416
  418   HD13  LEU  51          HD13      LEU  51   5.560  -0.540  -6.099
  419   HD21  LEU  51          HD21      LEU  51   5.221   2.423  -3.065
  420   HD22  LEU  51          HD22      LEU  51   5.638   0.775  -2.586
  421   HD23  LEU  51          HD23      LEU  51   4.030   1.132  -3.210
  422    H    GLY  52           HN       GLY  52   9.760  -0.410  -5.089
  423    HA2  GLY  52           HA2      GLY  52   8.781  -3.021  -4.770
  424    HA3  GLY  52           HA1      GLY  52  10.416  -2.575  -5.250
  425    H    ASP  53           HN       ASP  53  11.187  -1.178  -3.038
  426    HA   ASP  53           HA       ASP  53  11.940  -3.144  -1.159
  427    HB2  ASP  53           HB2      ASP  53  13.128  -1.008  -1.405
  428    HB3  ASP  53           HB1      ASP  53  11.714  -0.153  -0.799
  429    H    ARG  54           HN       ARG  54   9.392  -0.708  -1.093
  430    HA   ARG  54           HA       ARG  54   8.230  -1.561   1.335
  431    HB2  ARG  54           HB2      ARG  54   7.158   0.088  -0.925
  432    HB3  ARG  54           HB1      ARG  54   6.056  -0.502   0.300
  433    HG2  ARG  54           HG2      ARG  54   6.669   1.745   0.833
  434    HG3  ARG  54           HG1      ARG  54   7.413   0.678   2.016
  435    HD2  ARG  54           HD2      ARG  54   9.546   0.883   0.891
  436    HD3  ARG  54           HD1      ARG  54   8.790   1.837  -0.390
  437    HE   ARG  54           HE       ARG  54   8.593   2.849   2.341
  438   HH11  ARG  54          HH11      ARG  54  10.196   3.095  -0.783
  439   HH12  ARG  54          HH12      ARG  54  10.818   4.665  -0.534
  440   HH21  ARG  54          HH21      ARG  54   9.406   4.948   2.737
  441   HH22  ARG  54          HH22      ARG  54  10.342   5.778   1.572
  442    H    ILE  55           HN       ILE  55   8.033  -2.884  -1.851
  443    HA   ILE  55           HA       ILE  55   5.667  -4.406  -1.531
  444    HB   ILE  55           HB       ILE  55   8.082  -4.939  -3.305
  445   HG12  ILE  55          HG12      ILE  55   5.362  -3.789  -3.909
  446   HG13  ILE  55          HG11      ILE  55   6.878  -2.913  -3.891
  447   HG21  ILE  55          HG21      ILE  55   6.934  -7.047  -2.892
  448   HG22  ILE  55          HG22      ILE  55   6.712  -6.520  -4.563
  449   HG23  ILE  55          HG23      ILE  55   5.408  -6.317  -3.399
  450   HD11  ILE  55          HD11      ILE  55   7.648  -4.284  -5.815
  451   HD12  ILE  55          HD12      ILE  55   6.206  -3.340  -6.166
  452   HD13  ILE  55          HD13      ILE  55   6.069  -5.066  -5.841
  453    H    ALA  56           HN       ALA  56   9.036  -5.029  -0.799
  454    HA   ALA  56           HA       ALA  56   8.739  -7.699   0.070
  455    HB1  ALA  56           HB1      ALA  56  10.860  -7.348   1.241
  456    HB2  ALA  56           HB2      ALA  56  10.721  -5.612   0.969
  457    HB3  ALA  56           HB3      ALA  56  10.922  -6.706  -0.401
  458    H    GLN  57           HN       GLN  57   8.772  -4.662   1.862
  459    HA   GLN  57           HA       GLN  57   8.143  -5.608   4.415
  460    HB2  GLN  57           HB2      GLN  57   8.824  -3.235   3.692
  461    HB3  GLN  57           HB1      GLN  57   7.160  -2.995   3.211
  462    HG2  GLN  57           HG2      GLN  57   8.019  -3.644   6.029
  463    HG3  GLN  57           HG1      GLN  57   7.828  -2.013   5.433
  464   HE21  GLN  57          HE21      GLN  57   6.442  -3.345   7.641
  465   HE22  GLN  57          HE22      GLN  57   4.773  -3.322   7.251
  466    H    PHE  58           HN       PHE  58   6.103  -4.665   1.727
  467    HA   PHE  58           HA       PHE  58   3.598  -5.020   2.861
  468    HB2  PHE  58           HB2      PHE  58   4.058  -3.765   0.772
  469    HB3  PHE  58           HB1      PHE  58   4.373  -5.281  -0.040
  470    HD1  PHE  58           HD2      PHE  58   1.677  -3.776   2.062
  471    HD2  PHE  58           HD1      PHE  58   2.694  -6.074  -1.367
  472    HE1  PHE  58           HE2      PHE  58  -0.698  -3.920   1.460
  473    HE2  PHE  58           HE1      PHE  58   0.322  -6.220  -1.977
  474    HZ   PHE  58           HZ       PHE  58  -1.381  -5.139  -0.564
  475    H    TYR  59           HN       TYR  59   5.718  -7.409   1.279
  476    HA   TYR  59           HA       TYR  59   3.803  -9.468   1.185
  477    HB2  TYR  59           HB2      TYR  59   6.787  -9.570   1.507
  478    HB3  TYR  59           HB1      TYR  59   5.839 -11.037   1.694
  479    HD1  TYR  59           HD2      TYR  59   4.354 -11.739  -0.255
  480    HD2  TYR  59           HD1      TYR  59   7.421  -8.834  -0.607
  481    HE1  TYR  59           HE2      TYR  59   4.406 -12.094  -2.683
  482    HE2  TYR  59           HE1      TYR  59   7.489  -9.185  -3.028
  483    HH   TYR  59           HH       TYR  59   6.928 -10.848  -4.595
  484    H    THR  60           HN       THR  60   6.019  -8.561   3.748
  485    HA   THR  60           HA       THR  60   5.014 -10.442   5.609
  486    HB   THR  60           HB       THR  60   6.445  -7.811   6.059
  487    HG1  THR  60           HG1      THR  60   7.859  -9.227   5.171
  488   HG21  THR  60          HG21      THR  60   5.183  -8.347   8.078
  489   HG22  THR  60          HG22      THR  60   6.902  -8.634   8.358
  490   HG23  THR  60          HG23      THR  60   5.817  -9.993   8.068
  491    H    ASP  61           HN       ASP  61   4.214  -7.019   5.125
  492    HA   ASP  61           HA       ASP  61   2.406  -6.816   7.259
  493    HB2  ASP  61           HB2      ASP  61   3.542  -4.905   6.246
  494    HB3  ASP  61           HB1      ASP  61   2.609  -5.130   4.773
  495    H    LEU  62           HN       LEU  62   1.866  -7.582   3.879
  496    HA   LEU  62           HA       LEU  62  -0.963  -7.465   3.964
  497    HB2  LEU  62           HB2      LEU  62   0.315  -7.253   1.902
  498    HB3  LEU  62           HB1      LEU  62   0.907  -8.889   2.078
  499    HG   LEU  62           HG       LEU  62  -1.369  -9.727   1.679
  500   HD11  LEU  62          HD11      LEU  62  -2.028  -6.812   1.242
  501   HD12  LEU  62          HD12      LEU  62  -2.622  -7.823   2.562
  502   HD13  LEU  62          HD13      LEU  62  -3.093  -8.175   0.901
  503   HD21  LEU  62          HD21      LEU  62  -1.464  -9.102  -0.686
  504   HD22  LEU  62          HD22      LEU  62   0.184  -9.457  -0.165
  505   HD23  LEU  62          HD23      LEU  62  -0.334  -7.784  -0.373
  506    H    ASN  63           HN       ASN  63   1.387  -9.998   4.624
  507    HA   ASN  63           HA       ASN  63  -0.616 -12.055   4.656
  508    HB2  ASN  63           HB2      ASN  63   2.273 -12.087   5.561
  509    HB3  ASN  63           HB1      ASN  63   1.184 -13.445   5.814
  510   HD21  ASN  63          HD21      ASN  63   1.032 -11.489   2.917
  511   HD22  ASN  63          HD22      ASN  63   1.661 -12.707   1.856
  512    H    ILE  64           HN       ILE  64   0.541  -9.780   6.955
  513    HA   ILE  64           HA       ILE  64  -0.809 -11.238   9.073
  514    HB   ILE  64           HB       ILE  64   0.093  -9.517  10.633
  515   HG12  ILE  64          HG12      ILE  64   1.607  -8.569   8.194
  516   HG13  ILE  64          HG11      ILE  64   0.349  -7.670   9.031
  517   HG21  ILE  64          HG21      ILE  64   2.409 -10.330  10.587
  518   HG22  ILE  64          HG22      ILE  64   2.136 -10.976   8.970
  519   HG23  ILE  64          HG23      ILE  64   1.238 -11.628  10.342
  520   HD11  ILE  64          HD11      ILE  64   2.563  -6.852   9.590
  521   HD12  ILE  64          HD12      ILE  64   3.020  -8.454  10.173
  522   HD13  ILE  64          HD13      ILE  64   1.767  -7.534  11.006
  523    H    ASP  65           HN       ASP  65  -1.828  -9.372   6.767
  524    HA   ASP  65           HA       ASP  65  -3.336  -7.378   8.149
  525    HB2  ASP  65           HB2      ASP  65  -2.695  -7.068   5.810
  526    HB3  ASP  65           HB1      ASP  65  -3.668  -8.469   5.360
  527    H    GLY  66           HN       GLY  66  -5.551  -7.339   8.620
  528    HA2  GLY  66           HA2      GLY  66  -6.736 -10.021   8.788
  529    HA3  GLY  66           HA1      GLY  66  -7.031  -8.694   9.930
  530    H    ARG  67           HN       ARG  67  -7.021  -7.879   6.574
  531    HA   ARG  67           HA       ARG  67  -9.965  -8.082   6.473
  532    HB2  ARG  67           HB2      ARG  67  -8.238  -5.781   5.519
  533    HB3  ARG  67           HB1      ARG  67  -9.911  -5.985   5.033
  534    HG2  ARG  67           HG2      ARG  67  -8.960  -5.626   7.872
  535    HG3  ARG  67           HG1      ARG  67  -9.652  -4.355   6.856
  536    HD2  ARG  67           HD2      ARG  67 -11.729  -5.583   6.689
  537    HD3  ARG  67           HD1      ARG  67 -11.050  -6.922   7.602
  538    HE   ARG  67           HE       ARG  67 -11.752  -4.283   8.656
  539   HH11  ARG  67          HH11      ARG  67 -10.541  -7.512   9.314
  540   HH12  ARG  67          HH12      ARG  67 -11.391  -7.675  10.791
  541   HH21  ARG  67          HH21      ARG  67 -12.881  -4.508  10.733
  542   HH22  ARG  67          HH22      ARG  67 -12.725  -5.971  11.620
  543    H    PHE  68           HN       PHE  68  -6.951  -8.279   4.806
  544    HA   PHE  68           HA       PHE  68  -8.038  -8.846   2.275
  545    HB2  PHE  68           HB2      PHE  68  -5.351  -8.772   3.461
  546    HB3  PHE  68           HB1      PHE  68  -5.562  -9.806   2.050
  547    HD1  PHE  68           HD2      PHE  68  -6.160  -8.889  -0.064
  548    HD2  PHE  68           HD1      PHE  68  -5.527  -6.380   3.290
  549    HE1  PHE  68           HE2      PHE  68  -6.010  -6.966  -1.554
  550    HE2  PHE  68           HE1      PHE  68  -5.376  -4.433   1.794
  551    HZ   PHE  68           HZ       PHE  68  -5.627  -4.747  -0.643
  552    H    LEU  69           HN       LEU  69  -7.953 -10.633   1.133
  553    HA   LEU  69           HA       LEU  69  -7.589 -13.172   2.465
  554    HB2  LEU  69           HB2      LEU  69  -9.973 -12.652   2.514
  555    HB3  LEU  69           HB1      LEU  69  -9.963 -12.351   0.788
  556    HG   LEU  69           HG       LEU  69  -9.284 -14.749   0.474
  557   HD11  LEU  69          HD11      LEU  69  -9.733 -16.305   2.295
  558   HD12  LEU  69          HD12      LEU  69 -10.018 -14.948   3.384
  559   HD13  LEU  69          HD13      LEU  69  -8.419 -15.197   2.684
  560   HD21  LEU  69          HD21      LEU  69 -11.549 -15.601   0.812
  561   HD22  LEU  69          HD22      LEU  69 -11.543 -13.992   0.089
  562   HD23  LEU  69          HD23      LEU  69 -11.925 -14.187   1.797
  563    H    ALA  70           HN       ALA  70  -6.305 -14.378   1.049
  564    HA   ALA  70           HA       ALA  70  -5.763 -13.411  -1.601
  565    HB1  ALA  70           HB1      ALA  70  -4.963 -15.992  -0.233
  566    HB2  ALA  70           HB2      ALA  70  -3.999 -14.517  -0.283
  567    HB3  ALA  70           HB3      ALA  70  -4.323 -15.410  -1.771
  568    H    LEU  71           HN       LEU  71  -7.159 -13.746  -3.188
  569    HA   LEU  71           HA       LEU  71  -9.241 -15.598  -2.867
  570    HB2  LEU  71           HB2      LEU  71  -8.509 -13.777  -5.133
  571    HB3  LEU  71           HB1      LEU  71  -9.937 -14.803  -5.150
  572    HG   LEU  71           HG       LEU  71  -9.478 -12.882  -2.877
  573   HD11  LEU  71          HD11      LEU  71 -10.910 -12.342  -5.443
  574   HD12  LEU  71          HD12      LEU  71  -9.328 -11.660  -5.009
  575   HD13  LEU  71          HD13      LEU  71 -10.766 -11.242  -4.067
  576   HD21  LEU  71          HD21      LEU  71 -11.201 -14.620  -2.687
  577   HD22  LEU  71          HD22      LEU  71 -11.892 -14.006  -4.206
  578   HD23  LEU  71          HD23      LEU  71 -11.884 -12.982  -2.772
  579    H    SER  72           HN       SER  72  -7.722 -15.651  -6.089
  580    HA   SER  72           HA       SER  72  -7.681 -18.530  -5.615
  581    HB2  SER  72           HB2      SER  72  -7.754 -18.809  -8.066
  582    HB3  SER  72           HB1      SER  72  -9.122 -17.896  -7.434
  583    HG   SER  72           HG       SER  72  -7.011 -17.140  -9.043
  584    H    ASP  73           HN       ASP  73  -5.649 -16.198  -7.399
  585    HA   ASP  73           HA       ASP  73  -3.418 -18.140  -7.252
  586    HB2  ASP  73           HB2      ASP  73  -4.108 -16.216  -9.485
  587    HB3  ASP  73           HB1      ASP  73  -2.735 -17.315  -9.462
  588    H    GLN  74           HN       GLN  74  -3.715 -16.258  -5.254
  589    HA   GLN  74           HA       GLN  74  -2.807 -14.542  -4.176
  590    HB2  GLN  74           HB2      GLN  74  -0.602 -14.894  -6.209
  591    HB3  GLN  74           HB1      GLN  74  -0.576 -13.489  -5.149
  592    HG2  GLN  74           HG2      GLN  74   0.784 -15.253  -4.209
  593    HG3  GLN  74           HG1      GLN  74  -0.630 -14.980  -3.197
  594   HE21  GLN  74          HE21      GLN  74  -0.440 -16.769  -6.220
  595   HE22  GLN  74          HE22      GLN  74  -0.964 -18.265  -5.553
  596    H    THR  75           HN       THR  75  -4.536 -14.423  -6.381
  597    HA   THR  75           HA       THR  75  -4.607 -11.680  -7.166
  598    HB   THR  75           HB       THR  75  -7.051 -13.373  -6.867
  599    HG1  THR  75           HG1      THR  75  -5.821 -14.109  -9.144
  600   HG21  THR  75          HG21      THR  75  -5.887 -11.796  -9.172
  601   HG22  THR  75          HG22      THR  75  -7.079 -11.192  -8.022
  602   HG23  THR  75          HG23      THR  75  -7.500 -12.507  -9.120
  603    H    TRP  76           HN       TRP  76  -5.037 -10.177  -5.533
  604    HA   TRP  76           HA       TRP  76  -6.001 -11.346  -3.062
  605    HB2  TRP  76           HB2      TRP  76  -4.486  -8.797  -3.582
  606    HB3  TRP  76           HB1      TRP  76  -5.256  -9.130  -2.033
  607    HD1  TRP  76           HD1      TRP  76  -2.318 -10.235  -4.211
  608    HE1  TRP  76           HE1      TRP  76  -0.722 -11.663  -2.809
  609    HE3  TRP  76           HE3      TRP  76  -5.151 -10.677   0.017
  610    HZ2  TRP  76           HZ2      TRP  76  -0.663 -12.839  -0.186
  611    HZ3  TRP  76           HZ3      TRP  76  -4.257 -11.956   1.915
  612    HH2  TRP  76           HH2      TRP  76  -2.064 -13.011   1.809
  613    H    GLY  77           HN       GLY  77  -7.343  -9.941  -1.684
  614    HA2  GLY  77           HA2      GLY  77  -8.912  -7.947  -2.752
  615    HA3  GLY  77           HA1      GLY  77  -9.743  -9.489  -2.941
  616    H    LEU  78           HN       LEU  78 -11.213  -8.451  -1.501
  617    HA   LEU  78           HA       LEU  78 -10.311  -8.486   1.293
  618    HB2  LEU  78           HB2      LEU  78 -12.537  -6.871   0.064
  619    HB3  LEU  78           HB1      LEU  78 -12.139  -6.912   1.768
  620    HG   LEU  78           HG       LEU  78 -10.374  -5.819  -0.426
  621   HD11  LEU  78          HD11      LEU  78 -10.857  -3.654   0.591
  622   HD12  LEU  78          HD12      LEU  78 -11.960  -4.432   1.726
  623   HD13  LEU  78          HD13      LEU  78 -12.324  -4.433   0.000
  624   HD21  LEU  78          HD21      LEU  78 -10.007  -5.838   2.574
  625   HD22  LEU  78          HD22      LEU  78  -8.979  -4.994   1.419
  626   HD23  LEU  78          HD23      LEU  78  -9.050  -6.752   1.405
  627    H    ARG  79           HN       ARG  79 -11.475  -9.585   2.713
  628    HA   ARG  79           HA       ARG  79 -13.275 -11.552   1.689
  629    HB2  ARG  79           HB2      ARG  79 -13.432 -12.280   4.084
  630    HB3  ARG  79           HB1      ARG  79 -11.811 -12.253   3.425
  631    HG2  ARG  79           HG2      ARG  79 -11.407 -10.118   4.583
  632    HG3  ARG  79           HG1      ARG  79 -13.031 -10.215   5.280
  633    HD2  ARG  79           HD2      ARG  79 -12.406 -12.419   6.265
  634    HD3  ARG  79           HD1      ARG  79 -10.820 -12.210   5.596
  635    HE   ARG  79           HE       ARG  79 -10.220 -10.929   7.286
  636   HH11  ARG  79          HH11      ARG  79 -13.734 -10.436   7.095
  637   HH12  ARG  79          HH12      ARG  79 -13.949  -9.855   8.606
  638   HH21  ARG  79          HH21      ARG  79 -10.468 -10.162   9.516
  639   HH22  ARG  79          HH22      ARG  79 -11.974  -9.694  10.135
  640    H    SER  80           HN       SER  80 -13.652  -8.424   2.607
  641    HA   SER  80           HA       SER  80 -16.165  -8.493   3.914
  642    HB2  SER  80           HB2      SER  80 -14.657  -6.220   2.649
  643    HB3  SER  80           HB1      SER  80 -15.872  -6.113   3.929
  644    HG   SER  80           HG       SER  80 -14.361  -7.655   5.070
  645    H    TRP  81           HN       TRP  81 -15.675  -9.374   0.867
  646    HA   TRP  81           HA       TRP  81 -17.934  -7.829  -0.278
  647    HB2  TRP  81           HB2      TRP  81 -15.957  -9.588  -1.685
  648    HB3  TRP  81           HB1      TRP  81 -17.256  -8.675  -2.423
  649    HD1  TRP  81           HD1      TRP  81 -16.671  -5.846  -1.062
  650    HE1  TRP  81           HE1      TRP  81 -14.619  -4.552  -1.834
  651    HE3  TRP  81           HE3      TRP  81 -14.015  -9.786  -2.914
  652    HZ2  TRP  81           HZ2      TRP  81 -12.148  -5.166  -3.158
  653    HZ3  TRP  81           HZ3      TRP  81 -11.833  -9.352  -3.955
  654    HH2  TRP  81           HH2      TRP  81 -10.911  -7.106  -4.066
  655    H    TYR  82           HN       TYR  82 -17.308 -10.707   1.231
  656    HA   TYR  82           HA       TYR  82 -19.427 -12.072  -0.274
  657    HB2  TYR  82           HB2      TYR  82 -16.931 -13.457   0.732
  658    HB3  TYR  82           HB1      TYR  82 -18.194 -14.132  -0.270
  659    HD1  TYR  82           HD1      TYR  82 -15.271 -11.889  -0.217
  660    HD2  TYR  82           HD2      TYR  82 -18.067 -13.937  -2.667
  661    HE1  TYR  82           HE1      TYR  82 -13.835 -11.501  -2.141
  662    HE2  TYR  82           HE2      TYR  82 -16.642 -13.523  -4.633
  663    HH   TYR  82           HH       TYR  82 -13.426 -12.393  -4.330
  Start of MODEL   11
    1    H1   GLY   2           HT1      GLY   2 -12.079   9.513  -2.943
    2    H2   GLY   2           HT2      GLY   2 -11.599  10.487  -1.659
    3    H3   GLY   2           HT3      GLY   2 -13.056   9.659  -1.569
    4    HA2  GLY   2           HA1      GLY   2 -11.358   8.660  -0.232
    5    HA3  GLY   2           HA2      GLY   2 -11.889   7.569  -1.510
    6    H    ILE   3           HN       ILE   3  -9.984   6.440  -1.491
    7    HA   ILE   3           HA       ILE   3  -7.377   7.232  -1.308
    8    HB   ILE   3           HB       ILE   3  -8.270   4.959  -1.218
    9   HG12  ILE   3          HG12      ILE   3  -6.309   3.758  -2.137
   10   HG13  ILE   3          HG11      ILE   3  -5.761   5.178  -2.978
   11   HG21  ILE   3          HG21      ILE   3  -8.404   3.572  -3.281
   12   HG22  ILE   3          HG22      ILE   3  -8.163   5.036  -4.233
   13   HG23  ILE   3          HG23      ILE   3  -9.601   4.869  -3.229
   14   HD11  ILE   3          HD11      ILE   3  -5.580   6.322  -0.784
   15   HD12  ILE   3          HD12      ILE   3  -4.549   4.906  -0.938
   16   HD13  ILE   3          HD13      ILE   3  -6.048   4.812  -0.012
   17    H    LYS   4           HN       LYS   4  -9.367   7.541  -4.051
   18    HA   LYS   4           HA       LYS   4  -7.591   7.558  -6.181
   19    HB2  LYS   4           HB2      LYS   4 -10.006   7.444  -6.389
   20    HB3  LYS   4           HB1      LYS   4 -10.153   9.080  -5.773
   21    HG2  LYS   4           HG2      LYS   4  -9.022   9.934  -7.748
   22    HG3  LYS   4           HG1      LYS   4  -8.829   8.290  -8.358
   23    HD2  LYS   4           HD2      LYS   4 -11.245   8.012  -8.403
   24    HD3  LYS   4           HD1      LYS   4 -11.455   9.653  -7.783
   25    HE2  LYS   4           HE2      LYS   4 -10.396  10.553  -9.751
   26    HE3  LYS   4           HE1      LYS   4 -10.099   8.934 -10.376
   27    HZ1  LYS   4           HZ1      LYS   4 -12.030   9.941 -11.397
   28    HZ2  LYS   4           HZ2      LYS   4 -12.748  10.169  -9.892
   29    HZ3  LYS   4           HZ3      LYS   4 -12.502   8.607 -10.475
   30    H    GLN   5           HN       GLN   5  -8.105  10.015  -3.720
   31    HA   GLN   5           HA       GLN   5  -6.287  11.686  -5.239
   32    HB2  GLN   5           HB2      GLN   5  -7.513  13.714  -4.434
   33    HB3  GLN   5           HB1      GLN   5  -8.326  12.735  -5.637
   34    HG2  GLN   5           HG2      GLN   5  -9.674  11.733  -3.814
   35    HG3  GLN   5           HG1      GLN   5  -8.938  12.879  -2.692
   36   HE21  GLN   5          HE21      GLN   5 -11.707  12.584  -3.577
   37   HE22  GLN   5          HE22      GLN   5 -12.167  14.118  -4.203
   38    H    TYR   6           HN       TYR   6  -5.644   9.910  -3.114
   39    HA   TYR   6           HA       TYR   6  -4.926  11.569  -0.867
   40    HB2  TYR   6           HB2      TYR   6  -3.994   8.801  -1.707
   41    HB3  TYR   6           HB1      TYR   6  -3.301   9.656  -0.360
   42    HD1  TYR   6           HD2      TYR   6  -6.921   9.884  -1.006
   43    HD2  TYR   6           HD1      TYR   6  -3.877   7.915   1.202
   44    HE1  TYR   6           HE2      TYR   6  -8.615   8.950   0.504
   45    HE2  TYR   6           HE1      TYR   6  -5.566   6.981   2.717
   46    HH   TYR   6           HH       TYR   6  -7.870   7.563   3.430
   47    H    SER   7           HN       SER   7  -2.877  12.414  -0.416
   48    HA   SER   7           HA       SER   7  -1.353  13.114  -2.799
   49    HB2  SER   7           HB2      SER   7  -2.095  14.845  -1.113
   50    HB3  SER   7           HB1      SER   7  -1.038  14.074   0.063
   51    HG   SER   7           HG       SER   7   0.569  15.014  -0.752
   52    H    GLN   8           HN       GLN   8   1.132  13.395  -2.145
   53    HA   GLN   8           HA       GLN   8   2.127  10.768  -2.443
   54    HB2  GLN   8           HB2      GLN   8   3.178  12.961  -3.241
   55    HB3  GLN   8           HB1      GLN   8   3.781  13.124  -1.602
   56    HG2  GLN   8           HG2      GLN   8   4.724  10.760  -1.924
   57    HG3  GLN   8           HG1      GLN   8   4.412  11.069  -3.630
   58   HE21  GLN   8          HE21      GLN   8   6.673  11.001  -4.149
   59   HE22  GLN   8          HE22      GLN   8   7.711  12.285  -3.698
   60    H    GLU   9           HN       GLU   9   2.422  13.094   0.224
   61    HA   GLU   9           HA       GLU   9   3.922  11.308   1.857
   62    HB2  GLU   9           HB2      GLU   9   3.709  13.040   3.631
   63    HB3  GLU   9           HB1      GLU   9   4.361  13.664   2.131
   64    HG2  GLU   9           HG2      GLU   9   1.468  13.948   2.895
   65    HG3  GLU   9           HG1      GLU   9   2.691  15.125   3.356
   66    H    GLU  10           HN       GLU  10   0.662  12.138   1.460
   67    HA   GLU  10           HA       GLU  10  -0.602  11.129   3.721
   68    HB2  GLU  10           HB2      GLU  10  -1.681  12.282   1.841
   69    HB3  GLU  10           HB1      GLU  10  -1.364  10.894   0.807
   70    HG2  GLU  10           HG2      GLU  10  -3.665  10.850   1.471
   71    HG3  GLU  10           HG1      GLU  10  -2.832   9.554   2.322
   72    H    LEU  11           HN       LEU  11   0.135   9.497   0.686
   73    HA   LEU  11           HA       LEU  11  -0.422   6.887   1.621
   74    HB2  LEU  11           HB2      LEU  11   1.071   7.846  -0.792
   75    HB3  LEU  11           HB1      LEU  11   0.563   6.186  -0.528
   76    HG   LEU  11           HG       LEU  11  -1.333   8.524  -0.744
   77   HD11  LEU  11          HD11      LEU  11  -0.100   8.161  -2.825
   78   HD12  LEU  11          HD12      LEU  11  -1.805   7.739  -2.975
   79   HD13  LEU  11          HD13      LEU  11  -0.594   6.465  -2.815
   80   HD21  LEU  11          HD21      LEU  11  -3.011   6.777  -1.048
   81   HD22  LEU  11          HD22      LEU  11  -2.208   6.625   0.513
   82   HD23  LEU  11          HD23      LEU  11  -1.775   5.544  -0.811
   83    H    LYS  12           HN       LYS  12   2.466   8.836   1.611
   84    HA   LYS  12           HA       LYS  12   4.418   6.815   1.961
   85    HB2  LYS  12           HB2      LYS  12   4.342   9.640   3.015
   86    HB3  LYS  12           HB1      LYS  12   5.727   8.588   3.168
   87    HG2  LYS  12           HG2      LYS  12   4.558   9.341   0.508
   88    HG3  LYS  12           HG1      LYS  12   5.787  10.305   1.322
   89    HD2  LYS  12           HD2      LYS  12   7.280   8.385   1.336
   90    HD3  LYS  12           HD1      LYS  12   6.057   7.416   0.504
   91    HE2  LYS  12           HE2      LYS  12   6.152   8.864  -1.409
   92    HE3  LYS  12           HE1      LYS  12   7.226   9.975  -0.568
   93    HZ1  LYS  12           HZ1      LYS  12   7.981   7.153  -1.291
   94    HZ2  LYS  12           HZ2      LYS  12   8.961   8.319  -0.607
   95    HZ3  LYS  12           HZ3      LYS  12   8.412   8.548  -2.124
   96    H    GLU  13           HN       GLU  13   2.421   8.581   4.298
   97    HA   GLU  13           HA       GLU  13   3.732   7.178   6.473
   98    HB2  GLU  13           HB2      GLU  13   1.509   9.203   6.653
   99    HB3  GLU  13           HB1      GLU  13   2.556   8.662   7.953
  100    HG2  GLU  13           HG2      GLU  13   3.333  10.337   5.569
  101    HG3  GLU  13           HG1      GLU  13   3.240  10.846   7.249
  102    H    MET  14           HN       MET  14   0.754   7.017   4.717
  103    HA   MET  14           HA       MET  14  -0.741   5.631   6.684
  104    HB2  MET  14           HB2      MET  14  -1.137   5.959   3.729
  105    HB3  MET  14           HB1      MET  14  -2.177   4.905   4.676
  106    HG2  MET  14           HG2      MET  14  -1.759   7.847   5.147
  107    HG3  MET  14           HG1      MET  14  -3.161   7.113   4.367
  108    HE1  MET  14           HE1      MET  14  -3.381   9.101   6.847
  109    HE2  MET  14           HE2      MET  14  -4.628   8.275   7.787
  110    HE3  MET  14           HE3      MET  14  -4.756   8.359   6.031
  111    H    ALA  15           HN       ALA  15  -1.565   3.474   6.543
  112    HA   ALA  15           HA       ALA  15   0.558   1.618   6.428
  113    HB1  ALA  15           HB1      ALA  15  -1.127  -0.020   7.091
  114    HB2  ALA  15           HB2      ALA  15  -2.401   1.151   6.761
  115    HB3  ALA  15           HB3      ALA  15  -1.255   1.442   8.069
  116    H    LEU  16           HN       LEU  16   1.087   0.211   4.931
  117    HA   LEU  16           HA       LEU  16   0.424   0.591   2.260
  118    HB2  LEU  16           HB2      LEU  16   1.689  -1.786   3.634
  119    HB3  LEU  16           HB1      LEU  16   1.463  -1.668   1.900
  120    HG   LEU  16           HG       LEU  16   3.754  -1.212   2.508
  121   HD11  LEU  16          HD11      LEU  16   2.922  -0.166   0.556
  122   HD12  LEU  16          HD12      LEU  16   4.070   0.902   1.360
  123   HD13  LEU  16          HD13      LEU  16   2.338   1.223   1.478
  124   HD21  LEU  16          HD21      LEU  16   2.701   1.133   4.098
  125   HD22  LEU  16          HD22      LEU  16   4.400   0.800   3.765
  126   HD23  LEU  16          HD23      LEU  16   3.461  -0.315   4.757
  127    H    VAL  17           HN       VAL  17  -0.586  -2.045   4.430
  128    HA   VAL  17           HA       VAL  17  -2.345  -3.253   2.667
  129    HB   VAL  17           HB       VAL  17  -1.550  -4.281   4.761
  130   HG11  VAL  17          HG11      VAL  17  -2.665  -3.798   6.899
  131   HG12  VAL  17          HG12      VAL  17  -3.469  -2.421   6.143
  132   HG13  VAL  17          HG13      VAL  17  -1.713  -2.441   6.297
  133   HG21  VAL  17          HG21      VAL  17  -4.543  -4.172   4.488
  134   HG22  VAL  17          HG22      VAL  17  -3.647  -5.405   5.374
  135   HG23  VAL  17          HG23      VAL  17  -3.447  -5.251   3.627
  136    H    GLU  18           HN       GLU  18  -2.877  -0.404   4.647
  137    HA   GLU  18           HA       GLU  18  -5.726  -0.441   4.371
  138    HB2  GLU  18           HB2      GLU  18  -4.634   0.749   6.238
  139    HB3  GLU  18           HB1      GLU  18  -3.881   1.851   5.098
  140    HG2  GLU  18           HG2      GLU  18  -5.795   2.872   6.218
  141    HG3  GLU  18           HG1      GLU  18  -6.055   2.738   4.481
  142    H    ILE  19           HN       ILE  19  -3.074   1.209   2.760
  143    HA   ILE  19           HA       ILE  19  -4.498   2.706   0.866
  144    HB   ILE  19           HB       ILE  19  -1.830   1.288   0.512
  145   HG12  ILE  19          HG12      ILE  19  -2.383   4.149   1.341
  146   HG13  ILE  19          HG11      ILE  19  -1.928   2.857   2.446
  147   HG21  ILE  19          HG21      ILE  19  -2.767   1.950  -1.638
  148   HG22  ILE  19          HG22      ILE  19  -1.372   2.953  -1.239
  149   HG23  ILE  19          HG23      ILE  19  -3.000   3.596  -1.049
  150   HD11  ILE  19          HD11      ILE  19  -0.030   4.268   1.899
  151   HD12  ILE  19          HD12      ILE  19  -0.253   3.924   0.183
  152   HD13  ILE  19          HD13      ILE  19   0.213   2.631   1.288
  153    H    ALA  20           HN       ALA  20  -3.103  -0.485   0.616
  154    HA   ALA  20           HA       ALA  20  -4.071  -1.316  -1.856
  155    HB1  ALA  20           HB1      ALA  20  -2.363  -2.534  -0.574
  156    HB2  ALA  20           HB2      ALA  20  -3.660  -3.595  -1.117
  157    HB3  ALA  20           HB3      ALA  20  -3.607  -3.059   0.563
  158    H    HIS  21           HN       HIS  21  -5.564  -1.733   1.351
  159    HA   HIS  21           HA       HIS  21  -7.886  -3.043   0.652
  160    HB2  HIS  21           HB2      HIS  21  -7.615  -2.819   2.974
  161    HB3  HIS  21           HB1      HIS  21  -7.216  -1.103   2.855
  162    HD1  HIS  21           HD1      HIS  21  -8.996   0.383   3.701
  163    HD2  HIS  21           HD2      HIS  21 -10.581  -3.222   2.372
  164    HE1  HIS  21           HE1      HIS  21 -11.464   0.585   3.986
  165    HE2  HIS  21           HE2      HIS  21 -12.374  -1.392   2.812
  166    H    GLU  22           HN       GLU  22  -7.214   0.413   0.511
  167    HA   GLU  22           HA       GLU  22  -9.829   1.089  -0.226
  168    HB2  GLU  22           HB2      GLU  22  -7.244   2.562  -0.412
  169    HB3  GLU  22           HB1      GLU  22  -8.769   3.187  -1.043
  170    HG2  GLU  22           HG2      GLU  22  -8.315   2.362   1.812
  171    HG3  GLU  22           HG1      GLU  22  -8.238   4.024   1.218
  172    H    LEU  23           HN       LEU  23  -7.024   0.230  -2.216
  173    HA   LEU  23           HA       LEU  23  -8.129   0.931  -4.726
  174    HB2  LEU  23           HB2      LEU  23  -6.252  -1.333  -4.019
  175    HB3  LEU  23           HB1      LEU  23  -6.860  -1.139  -5.640
  176    HG   LEU  23           HG       LEU  23  -4.672  -0.306  -5.595
  177   HD11  LEU  23          HD11      LEU  23  -4.917   2.036  -6.222
  178   HD12  LEU  23          HD12      LEU  23  -6.530   2.061  -5.523
  179   HD13  LEU  23          HD13      LEU  23  -6.186   1.028  -6.915
  180   HD21  LEU  23          HD21      LEU  23  -3.904   1.462  -4.073
  181   HD22  LEU  23          HD22      LEU  23  -4.397  -0.012  -3.229
  182   HD23  LEU  23          HD23      LEU  23  -5.458   1.387  -3.235
  183    H    PHE  24           HN       PHE  24  -8.443  -1.928  -2.791
  184    HA   PHE  24           HA       PHE  24 -10.102  -3.242  -4.709
  185    HB2  PHE  24           HB2      PHE  24  -9.357  -3.946  -1.891
  186    HB3  PHE  24           HB1      PHE  24 -10.375  -4.968  -2.901
  187    HD1  PHE  24           HD1      PHE  24  -9.452  -5.587  -5.188
  188    HD2  PHE  24           HD2      PHE  24  -7.089  -4.169  -1.990
  189    HE1  PHE  24           HE1      PHE  24  -7.492  -6.562  -6.226
  190    HE2  PHE  24           HE2      PHE  24  -5.095  -5.139  -3.017
  191    HZ   PHE  24           HZ       PHE  24  -5.293  -6.349  -5.158
  192    H    GLU  25           HN       GLU  25 -10.637  -1.340  -1.884
  193    HA   GLU  25           HA       GLU  25 -13.311  -1.921  -1.403
  194    HB2  GLU  25           HB2      GLU  25 -11.703  -0.542  -0.004
  195    HB3  GLU  25           HB1      GLU  25 -11.988   0.781  -1.123
  196    HG2  GLU  25           HG2      GLU  25 -13.319   1.056   0.858
  197    HG3  GLU  25           HG1      GLU  25 -14.364   0.743  -0.528
  198    H    GLU  26           HN       GLU  26 -11.824   0.490  -3.567
  199    HA   GLU  26           HA       GLU  26 -14.417   1.190  -4.581
  200    HB2  GLU  26           HB2      GLU  26 -12.750   2.949  -4.427
  201    HB3  GLU  26           HB1      GLU  26 -11.690   2.068  -5.521
  202    HG2  GLU  26           HG2      GLU  26 -12.813   3.878  -6.695
  203    HG3  GLU  26           HG1      GLU  26 -13.335   2.317  -7.319
  204    H    HIS  27           HN       HIS  27 -11.622  -0.642  -5.821
  205    HA   HIS  27           HA       HIS  27 -12.671  -1.020  -8.407
  206    HB2  HIS  27           HB2      HIS  27 -10.675  -2.706  -6.891
  207    HB3  HIS  27           HB1      HIS  27 -11.210  -3.135  -8.507
  208    HD1  HIS  27           HD1      HIS  27  -8.247  -2.531  -7.997
  209    HD2  HIS  27           HD2      HIS  27 -11.005   0.311  -9.249
  210    HE1  HIS  27           HE1      HIS  27  -6.901  -0.721  -9.111
  211    HE2  HIS  27           HE2      HIS  27  -8.594   1.010  -9.801
  212    H    LYS  28           HN       LYS  28 -13.069  -3.021  -5.497
  213    HA   LYS  28           HA       LYS  28 -14.505  -4.649  -4.944
  214    HB2  LYS  28           HB2      LYS  28 -16.169  -3.489  -7.193
  215    HB3  LYS  28           HB1      LYS  28 -16.741  -4.611  -5.960
  216    HG2  LYS  28           HG2      LYS  28 -16.478  -3.020  -4.241
  217    HG3  LYS  28           HG1      LYS  28 -15.553  -1.944  -5.285
  218    HD2  LYS  28           HD2      LYS  28 -17.548  -1.617  -6.678
  219    HD3  LYS  28           HD1      LYS  28 -18.464  -2.653  -5.584
  220    HE2  LYS  28           HE2      LYS  28 -18.784  -0.229  -5.149
  221    HE3  LYS  28           HE1      LYS  28 -18.153  -1.113  -3.767
  222    HZ1  LYS  28           HZ1      LYS  28 -17.053   1.041  -4.175
  223    HZ2  LYS  28           HZ2      LYS  28 -16.389   0.472  -5.613
  224    HZ3  LYS  28           HZ3      LYS  28 -16.011  -0.251  -4.133
  225    H    LYS  29           HN       LYS  29 -12.510  -4.986  -7.062
  226    HA   LYS  29           HA       LYS  29 -13.450  -7.483  -8.202
  227    HB2  LYS  29           HB2      LYS  29 -11.846  -5.359  -9.652
  228    HB3  LYS  29           HB1      LYS  29 -12.242  -6.940 -10.294
  229    HG2  LYS  29           HG2      LYS  29 -14.637  -6.326 -10.238
  230    HG3  LYS  29           HG1      LYS  29 -14.183  -4.727  -9.656
  231    HD2  LYS  29           HD2      LYS  29 -12.839  -4.386 -11.681
  232    HD3  LYS  29           HD1      LYS  29 -13.358  -5.969 -12.271
  233    HE2  LYS  29           HE2      LYS  29 -15.678  -5.199 -12.281
  234    HE3  LYS  29           HE1      LYS  29 -15.163  -3.627 -11.669
  235    HZ1  LYS  29           HZ1      LYS  29 -15.460  -3.501 -14.034
  236    HZ2  LYS  29           HZ2      LYS  29 -14.442  -4.812 -14.301
  237    HZ3  LYS  29           HZ3      LYS  29 -13.817  -3.376 -13.692
  238    HA   PRO  30           HA       PRO  30  -9.502  -8.766  -6.440
  239    HB2  PRO  30           HB2      PRO  30  -9.508 -10.878  -8.514
  240    HB3  PRO  30           HB1      PRO  30  -9.505 -11.014  -6.762
  241    HG2  PRO  30           HG2      PRO  30 -11.678 -11.610  -8.188
  242    HG3  PRO  30           HG1      PRO  30 -11.799 -10.822  -6.604
  243    HD2  PRO  30           HD2      PRO  30 -11.985  -9.625  -9.333
  244    HD3  PRO  30           HD1      PRO  30 -12.993  -9.340  -7.893
  245    H    VAL  31           HN       VAL  31  -7.503  -8.131  -6.888
  246    HA   VAL  31           HA       VAL  31  -6.701  -7.835  -9.681
  247    HB   VAL  31           HB       VAL  31  -6.034  -5.883  -7.427
  248   HG11  VAL  31          HG11      VAL  31  -5.041  -4.486  -9.169
  249   HG12  VAL  31          HG12      VAL  31  -5.312  -5.786 -10.333
  250   HG13  VAL  31          HG13      VAL  31  -4.220  -6.034  -8.971
  251   HG21  VAL  31          HG21      VAL  31  -7.376  -4.230  -8.656
  252   HG22  VAL  31          HG22      VAL  31  -8.353  -5.597  -8.121
  253   HG23  VAL  31          HG23      VAL  31  -7.853  -5.480  -9.806
  254    HA   PRO  32           HA       PRO  32  -3.389 -10.492  -8.249
  255    HB2  PRO  32           HB2      PRO  32  -1.967  -9.096 -10.479
  256    HB3  PRO  32           HB1      PRO  32  -2.065 -10.827 -10.129
  257    HG2  PRO  32           HG2      PRO  32  -3.541  -9.845 -12.071
  258    HG3  PRO  32           HG1      PRO  32  -4.263 -10.988 -10.922
  259    HD2  PRO  32           HD2      PRO  32  -4.522  -8.007 -11.037
  260    HD3  PRO  32           HD1      PRO  32  -5.765  -9.248 -10.746
  261    H    PHE  33           HN       PHE  33  -1.482 -10.302  -7.197
  262    HA   PHE  33           HA       PHE  33  -1.109  -8.233  -5.440
  263    HB2  PHE  33           HB2      PHE  33  -0.197 -10.535  -5.202
  264    HB3  PHE  33           HB1      PHE  33   0.988 -10.115  -6.452
  265    HD1  PHE  33           HD1      PHE  33  -0.088  -9.346  -3.000
  266    HD2  PHE  33           HD2      PHE  33   2.964  -8.987  -5.932
  267    HE1  PHE  33           HE1      PHE  33   1.464  -8.516  -1.282
  268    HE2  PHE  33           HE2      PHE  33   4.510  -8.154  -4.240
  269    HZ   PHE  33           HZ       PHE  33   3.767  -7.919  -1.897
  270    H    GLN  34           HN       GLN  34   0.696  -8.830  -8.403
  271    HA   GLN  34           HA       GLN  34   2.454  -6.661  -7.990
  272    HB2  GLN  34           HB2      GLN  34   3.048  -8.646  -9.307
  273    HB3  GLN  34           HB1      GLN  34   1.871  -8.182 -10.524
  274    HG2  GLN  34           HG2      GLN  34   4.158  -7.618 -11.169
  275    HG3  GLN  34           HG1      GLN  34   3.117  -6.183 -11.011
  276   HE21  GLN  34          HE21      GLN  34   3.586  -4.710  -9.366
  277   HE22  GLN  34          HE22      GLN  34   5.074  -4.788  -8.485
  278    H    GLU  35           HN       GLU  35  -0.658  -6.933  -9.588
  279    HA   GLU  35           HA       GLU  35  -0.268  -4.500 -11.041
  280    HB2  GLU  35           HB2      GLU  35  -2.749  -6.186 -10.673
  281    HB3  GLU  35           HB1      GLU  35  -2.668  -4.746 -11.677
  282    HG2  GLU  35           HG2      GLU  35  -0.868  -5.880 -12.998
  283    HG3  GLU  35           HG1      GLU  35  -1.203  -7.343 -12.074
  284    H    LEU  36           HN       LEU  36  -1.770  -5.496  -8.049
  285    HA   LEU  36           HA       LEU  36  -3.109  -3.050  -7.609
  286    HB2  LEU  36           HB2      LEU  36  -3.480  -3.771  -5.326
  287    HB3  LEU  36           HB1      LEU  36  -3.684  -5.141  -6.383
  288    HG   LEU  36           HG       LEU  36  -1.199  -5.660  -5.667
  289   HD11  LEU  36          HD11      LEU  36  -0.818  -3.636  -4.413
  290   HD12  LEU  36          HD12      LEU  36  -0.721  -5.050  -3.366
  291   HD13  LEU  36          HD13      LEU  36  -2.158  -4.027  -3.333
  292   HD21  LEU  36          HD21      LEU  36  -3.553  -6.148  -3.849
  293   HD22  LEU  36          HD22      LEU  36  -2.035  -7.038  -3.827
  294   HD23  LEU  36          HD23      LEU  36  -3.088  -7.130  -5.240
  295    H    LEU  37           HN       LEU  37   0.132  -4.105  -7.045
  296    HA   LEU  37           HA       LEU  37   0.976  -1.908  -5.466
  297    HB2  LEU  37           HB2      LEU  37   2.489  -3.847  -7.180
  298    HB3  LEU  37           HB1      LEU  37   3.243  -2.687  -6.102
  299    HG   LEU  37           HG       LEU  37   1.324  -4.805  -5.158
  300   HD11  LEU  37          HD11      LEU  37   4.320  -4.800  -5.182
  301   HD12  LEU  37          HD12      LEU  37   3.281  -5.828  -6.173
  302   HD13  LEU  37          HD13      LEU  37   3.293  -6.009  -4.418
  303   HD21  LEU  37          HD21      LEU  37   2.320  -4.294  -2.980
  304   HD22  LEU  37          HD22      LEU  37   1.532  -2.888  -3.683
  305   HD23  LEU  37          HD23      LEU  37   3.291  -3.022  -3.723
  306    H    ASN  38           HN       ASN  38   1.016  -2.624  -8.904
  307    HA   ASN  38           HA       ASN  38   2.327  -0.273  -9.697
  308    HB2  ASN  38           HB2      ASN  38   0.419  -2.088 -11.186
  309    HB3  ASN  38           HB1      ASN  38   1.173  -0.689 -11.939
  310   HD21  ASN  38          HD21      ASN  38   2.220  -2.044 -13.431
  311   HD22  ASN  38          HD22      ASN  38   3.590  -2.990 -12.984
  312    H    GLU  39           HN       GLU  39  -1.070  -0.982  -9.131
  313    HA   GLU  39           HA       GLU  39  -2.163   1.502  -9.827
  314    HB2  GLU  39           HB2      GLU  39  -2.981  -0.365  -7.582
  315    HB3  GLU  39           HB1      GLU  39  -3.955   0.966  -8.178
  316    HG2  GLU  39           HG2      GLU  39  -3.128  -1.432  -9.803
  317    HG3  GLU  39           HG1      GLU  39  -4.679  -1.250  -8.994
  318    H    ILE  40           HN       ILE  40  -0.973   0.336  -6.678
  319    HA   ILE  40           HA       ILE  40  -1.278   2.686  -5.200
  320    HB   ILE  40           HB       ILE  40   0.797   0.489  -4.852
  321   HG12  ILE  40          HG12      ILE  40  -1.847   0.940  -3.451
  322   HG13  ILE  40          HG11      ILE  40  -1.554  -0.258  -4.704
  323   HG21  ILE  40          HG21      ILE  40   1.017   1.265  -2.521
  324   HG22  ILE  40          HG22      ILE  40  -0.010   2.650  -2.902
  325   HG23  ILE  40          HG23      ILE  40   1.559   2.472  -3.687
  326   HD11  ILE  40          HD11      ILE  40  -1.564  -1.264  -2.493
  327   HD12  ILE  40          HD12      ILE  40  -0.264  -0.188  -1.981
  328   HD13  ILE  40          HD13      ILE  40   0.032  -1.397  -3.232
  329    H    ALA  41           HN       ALA  41   1.497   1.566  -7.077
  330    HA   ALA  41           HA       ALA  41   3.253   3.662  -6.485
  331    HB1  ALA  41           HB1      ALA  41   3.176   2.014  -9.010
  332    HB2  ALA  41           HB2      ALA  41   3.958   1.538  -7.503
  333    HB3  ALA  41           HB3      ALA  41   4.548   2.942  -8.395
  334    H    SER  42           HN       SER  42   0.686   3.435  -8.812
  335    HA   SER  42           HA       SER  42   1.425   5.881 -10.118
  336    HB2  SER  42           HB2      SER  42  -1.201   4.399 -10.215
  337    HB3  SER  42           HB1      SER  42  -0.639   5.619 -11.365
  338    HG   SER  42           HG       SER  42   0.312   2.992 -10.941
  339    H    LEU  43           HN       LEU  43  -0.931   5.110  -7.596
  340    HA   LEU  43           HA       LEU  43  -1.861   7.790  -7.455
  341    HB2  LEU  43           HB2      LEU  43  -1.999   5.502  -5.498
  342    HB3  LEU  43           HB1      LEU  43  -2.490   7.104  -5.007
  343    HG   LEU  43           HG       LEU  43  -4.435   5.818  -5.562
  344   HD11  LEU  43          HD11      LEU  43  -5.484   7.211  -7.247
  345   HD12  LEU  43          HD12      LEU  43  -3.911   7.835  -7.723
  346   HD13  LEU  43          HD13      LEU  43  -4.534   8.159  -6.104
  347   HD21  LEU  43          HD21      LEU  43  -4.863   4.932  -7.810
  348   HD22  LEU  43          HD22      LEU  43  -3.461   4.163  -7.066
  349   HD23  LEU  43          HD23      LEU  43  -3.235   5.401  -8.300
  350    H    LEU  44           HN       LEU  44   0.753   6.100  -5.968
  351    HA   LEU  44           HA       LEU  44   1.670   8.313  -4.405
  352    HB2  LEU  44           HB2      LEU  44   2.680   5.618  -5.146
  353    HB3  LEU  44           HB1      LEU  44   3.837   6.831  -4.653
  354    HG   LEU  44           HG       LEU  44   1.512   6.046  -2.907
  355   HD11  LEU  44          HD11      LEU  44   4.352   4.999  -2.907
  356   HD12  LEU  44          HD12      LEU  44   2.949   4.080  -3.436
  357   HD13  LEU  44          HD13      LEU  44   3.088   4.584  -1.748
  358   HD21  LEU  44          HD21      LEU  44   2.963   7.009  -1.184
  359   HD22  LEU  44          HD22      LEU  44   2.591   8.194  -2.435
  360   HD23  LEU  44          HD23      LEU  44   4.164   7.400  -2.411
  361    H    GLY  45           HN       GLY  45   2.574  10.024  -5.321
  362    HA2  GLY  45           HA2      GLY  45   3.826   9.984  -7.907
  363    HA3  GLY  45           HA1      GLY  45   3.997  11.280  -6.726
  364    H    VAL  46           HN       VAL  46   5.045   7.932  -7.253
  365    HA   VAL  46           HA       VAL  46   7.738   8.644  -6.287
  366    HB   VAL  46           HB       VAL  46   7.936   6.573  -5.037
  367   HG11  VAL  46          HG11      VAL  46   6.352   6.958  -3.203
  368   HG12  VAL  46          HG12      VAL  46   5.474   8.093  -4.236
  369   HG13  VAL  46          HG13      VAL  46   7.136   8.428  -3.771
  370   HG21  VAL  46          HG21      VAL  46   5.094   5.992  -5.895
  371   HG22  VAL  46          HG22      VAL  46   5.945   5.108  -4.631
  372   HG23  VAL  46          HG23      VAL  46   6.546   5.072  -6.287
  373    H    LYS  47           HN       LYS  47   9.075   6.465  -6.615
  374    HA   LYS  47           HA       LYS  47   8.638   5.588  -9.372
  375    HB2  LYS  47           HB2      LYS  47  11.060   5.507  -7.600
  376    HB3  LYS  47           HB1      LYS  47  10.987   4.859  -9.220
  377    HG2  LYS  47           HG2      LYS  47  10.750   7.035 -10.176
  378    HG3  LYS  47           HG1      LYS  47  10.573   7.768  -8.575
  379    HD2  LYS  47           HD2      LYS  47  12.947   6.138  -9.272
  380    HD3  LYS  47           HD1      LYS  47  12.911   7.879  -9.683
  381    HE2  LYS  47           HE2      LYS  47  12.661   8.380  -7.328
  382    HE3  LYS  47           HE1      LYS  47  12.483   6.685  -6.936
  383    HZ1  LYS  47           HZ1      LYS  47  14.622   7.357  -6.405
  384    HZ2  LYS  47           HZ2      LYS  47  14.914   8.013  -7.951
  385    HZ3  LYS  47           HZ3      LYS  47  14.740   6.339  -7.733
  386    H    LYS  48           HN       LYS  48   9.214   3.297  -9.695
  387    HA   LYS  48           HA       LYS  48   7.674   1.730  -7.915
  388    HB2  LYS  48           HB2      LYS  48   7.707   1.289 -10.301
  389    HB3  LYS  48           HB1      LYS  48   9.421   0.904 -10.222
  390    HG2  LYS  48           HG2      LYS  48   8.446  -1.175 -10.221
  391    HG3  LYS  48           HG1      LYS  48   8.759  -0.844  -8.519
  392    HD2  LYS  48           HD2      LYS  48   6.520  -1.715  -8.523
  393    HD3  LYS  48           HD1      LYS  48   6.319   0.026  -8.429
  394    HE2  LYS  48           HE2      LYS  48   4.800  -0.915 -10.054
  395    HE3  LYS  48           HE1      LYS  48   5.982   0.125 -10.849
  396    HZ1  LYS  48           HZ1      LYS  48   6.070  -2.851 -10.747
  397    HZ2  LYS  48           HZ2      LYS  48   7.234  -1.902 -11.476
  398    HZ3  LYS  48           HZ3      LYS  48   5.669  -1.925 -12.090
  399    H    GLU  49           HN       GLU  49  11.128   2.197  -8.351
  400    HA   GLU  49           HA       GLU  49  11.991  -0.258  -7.316
  401    HB2  GLU  49           HB2      GLU  49  13.587   2.283  -7.150
  402    HB3  GLU  49           HB1      GLU  49  14.179   0.636  -7.294
  403    HG2  GLU  49           HG2      GLU  49  12.845   2.313  -9.396
  404    HG3  GLU  49           HG1      GLU  49  14.473   1.675  -9.394
  405    H    GLU  50           HN       GLU  50  11.882   2.890  -5.703
  406    HA   GLU  50           HA       GLU  50  12.641   2.050  -3.156
  407    HB2  GLU  50           HB2      GLU  50  10.806   4.093  -2.636
  408    HB3  GLU  50           HB1      GLU  50  12.530   4.275  -2.848
  409    HG2  GLU  50           HG2      GLU  50  10.568   4.494  -5.167
  410    HG3  GLU  50           HG1      GLU  50  11.111   5.871  -4.187
  411    H    LEU  51           HN       LEU  51   9.427   2.311  -4.532
  412    HA   LEU  51           HA       LEU  51   8.089   1.318  -2.254
  413    HB2  LEU  51           HB2      LEU  51   6.994   2.667  -4.022
  414    HB3  LEU  51           HB1      LEU  51   7.189   1.334  -5.139
  415    HG   LEU  51           HG       LEU  51   5.715  -0.043  -3.666
  416   HD11  LEU  51          HD11      LEU  51   5.252   2.564  -2.236
  417   HD12  LEU  51          HD12      LEU  51   6.027   1.128  -1.569
  418   HD13  LEU  51          HD13      LEU  51   4.321   1.086  -2.008
  419   HD21  LEU  51          HD21      LEU  51   3.632   1.048  -4.347
  420   HD22  LEU  51          HD22      LEU  51   4.832   1.038  -5.638
  421   HD23  LEU  51          HD23      LEU  51   4.534   2.517  -4.724
  422    H    GLY  52           HN       GLY  52   9.936  -0.159  -4.687
  423    HA2  GLY  52           HA2      GLY  52   8.768  -2.734  -4.754
  424    HA3  GLY  52           HA1      GLY  52  10.384  -2.304  -5.301
  425    H    ASP  53           HN       ASP  53  11.457  -1.347  -2.943
  426    HA   ASP  53           HA       ASP  53  11.902  -3.837  -1.569
  427    HB2  ASP  53           HB2      ASP  53  13.605  -1.951  -1.744
  428    HB3  ASP  53           HB1      ASP  53  12.686  -1.126  -0.478
  429    H    ARG  54           HN       ARG  54   9.946  -1.049  -1.135
  430    HA   ARG  54           HA       ARG  54   8.957  -1.826   1.396
  431    HB2  ARG  54           HB2      ARG  54   8.844   0.501   0.173
  432    HB3  ARG  54           HB1      ARG  54   7.345  -0.144  -0.483
  433    HG2  ARG  54           HG2      ARG  54   6.440  -0.430   1.743
  434    HG3  ARG  54           HG1      ARG  54   7.967   0.094   2.458
  435    HD2  ARG  54           HD2      ARG  54   7.667   2.255   1.195
  436    HD3  ARG  54           HD1      ARG  54   6.030   1.722   0.831
  437    HE   ARG  54           HE       ARG  54   6.678   1.670   3.643
  438   HH11  ARG  54          HH11      ARG  54   5.683   3.849   1.071
  439   HH12  ARG  54          HH12      ARG  54   4.744   4.841   2.121
  440   HH21  ARG  54          HH21      ARG  54   5.664   3.032   5.007
  441   HH22  ARG  54          HH22      ARG  54   4.792   4.429   4.462
  442    H    ILE  55           HN       ILE  55   8.381  -2.968  -1.791
  443    HA   ILE  55           HA       ILE  55   5.845  -4.199  -1.408
  444    HB   ILE  55           HB       ILE  55   8.105  -4.877  -3.341
  445   HG12  ILE  55          HG12      ILE  55   5.405  -3.616  -3.854
  446   HG13  ILE  55          HG11      ILE  55   6.928  -2.755  -3.778
  447   HG21  ILE  55          HG21      ILE  55   6.915  -6.950  -2.962
  448   HG22  ILE  55          HG22      ILE  55   6.538  -6.339  -4.577
  449   HG23  ILE  55          HG23      ILE  55   5.373  -6.152  -3.275
  450   HD11  ILE  55          HD11      ILE  55   7.715  -3.986  -5.773
  451   HD12  ILE  55          HD12      ILE  55   6.226  -3.101  -6.094
  452   HD13  ILE  55          HD13      ILE  55   6.183  -4.842  -5.832
  453    H    ALA  56           HN       ALA  56   9.187  -5.209  -0.944
  454    HA   ALA  56           HA       ALA  56   8.690  -7.833  -0.006
  455    HB1  ALA  56           HB1      ALA  56  10.848  -5.914   0.904
  456    HB2  ALA  56           HB2      ALA  56  10.963  -7.015  -0.469
  457    HB3  ALA  56           HB3      ALA  56  10.851  -7.657   1.170
  458    H    GLN  57           HN       GLN  57   8.897  -4.796   1.695
  459    HA   GLN  57           HA       GLN  57   8.240  -5.606   4.307
  460    HB2  GLN  57           HB2      GLN  57   9.145  -3.381   3.452
  461    HB3  GLN  57           HB1      GLN  57   7.515  -3.000   2.964
  462    HG2  GLN  57           HG2      GLN  57   8.372  -3.507   5.813
  463    HG3  GLN  57           HG1      GLN  57   8.294  -1.932   5.048
  464   HE21  GLN  57          HE21      GLN  57   6.570  -4.411   6.665
  465   HE22  GLN  57          HE22      GLN  57   5.039  -3.647   6.666
  466    H    PHE  58           HN       PHE  58   6.239  -4.573   1.587
  467    HA   PHE  58           HA       PHE  58   3.772  -4.696   2.873
  468    HB2  PHE  58           HB2      PHE  58   4.051  -3.449   0.817
  469    HB3  PHE  58           HB1      PHE  58   4.428  -4.907  -0.074
  470    HD1  PHE  58           HD2      PHE  58   1.730  -3.570   2.106
  471    HD2  PHE  58           HD1      PHE  58   2.748  -5.784  -1.362
  472    HE1  PHE  58           HE2      PHE  58  -0.656  -3.775   1.551
  473    HE2  PHE  58           HE1      PHE  58   0.373  -6.012  -1.924
  474    HZ   PHE  58           HZ       PHE  58  -1.340  -5.002  -0.469
  475    H    TYR  59           HN       TYR  59   5.625  -7.217   1.224
  476    HA   TYR  59           HA       TYR  59   3.678  -9.222   1.310
  477    HB2  TYR  59           HB2      TYR  59   6.667  -9.304   1.474
  478    HB3  TYR  59           HB1      TYR  59   5.774 -10.758   1.874
  479    HD1  TYR  59           HD1      TYR  59   4.093 -11.589   0.083
  480    HD2  TYR  59           HD2      TYR  59   7.253  -8.875  -0.742
  481    HE1  TYR  59           HE1      TYR  59   4.028 -12.248  -2.281
  482    HE2  TYR  59           HE2      TYR  59   7.194  -9.514  -3.108
  483    HH   TYR  59           HH       TYR  59   4.653 -11.326  -4.454
  484    H    THR  60           HN       THR  60   6.009  -8.223   3.781
  485    HA   THR  60           HA       THR  60   5.127  -9.919   5.803
  486    HB   THR  60           HB       THR  60   6.343  -7.150   6.036
  487    HG1  THR  60           HG1      THR  60   8.292  -8.567   6.342
  488   HG21  THR  60          HG21      THR  60   5.411  -7.932   8.171
  489   HG22  THR  60          HG22      THR  60   7.175  -7.954   8.229
  490   HG23  THR  60          HG23      THR  60   6.281  -9.455   8.006
  491    H    ASP  61           HN       ASP  61   4.239  -6.519   5.170
  492    HA   ASP  61           HA       ASP  61   2.446  -6.119   7.294
  493    HB2  ASP  61           HB2      ASP  61   3.415  -4.273   5.950
  494    HB3  ASP  61           HB1      ASP  61   2.413  -4.758   4.591
  495    H    LEU  62           HN       LEU  62   1.786  -7.154   4.007
  496    HA   LEU  62           HA       LEU  62  -1.035  -7.167   4.309
  497    HB2  LEU  62           HB2      LEU  62   0.108  -6.835   2.177
  498    HB3  LEU  62           HB1      LEU  62   0.743  -8.460   2.257
  499    HG   LEU  62           HG       LEU  62  -1.537  -9.348   2.051
  500   HD11  LEU  62          HD11      LEU  62  -2.762  -7.486   3.048
  501   HD12  LEU  62          HD12      LEU  62  -3.354  -7.822   1.422
  502   HD13  LEU  62          HD13      LEU  62  -2.288  -6.446   1.706
  503   HD21  LEU  62          HD21      LEU  62  -1.855  -8.712  -0.287
  504   HD22  LEU  62          HD22      LEU  62  -0.167  -9.046   0.090
  505   HD23  LEU  62          HD23      LEU  62  -0.722  -7.378  -0.071
  506    H    ASN  63           HN       ASN  63   1.481  -9.592   4.762
  507    HA   ASN  63           HA       ASN  63  -0.464 -11.723   4.793
  508    HB2  ASN  63           HB2      ASN  63   1.902 -12.014   3.962
  509    HB3  ASN  63           HB1      ASN  63   2.432 -11.920   5.628
  510   HD21  ASN  63          HD21      ASN  63   0.758 -13.828   3.259
  511   HD22  ASN  63          HD22      ASN  63   0.726 -15.299   4.131
  512    H    ILE  64           HN       ILE  64   0.772  -9.527   7.091
  513    HA   ILE  64           HA       ILE  64  -0.134 -11.214   9.298
  514    HB   ILE  64           HB       ILE  64   0.674  -9.457  10.835
  515   HG12  ILE  64          HG12      ILE  64   1.639  -8.031   8.340
  516   HG13  ILE  64          HG11      ILE  64   0.311  -7.501   9.362
  517   HG21  ILE  64          HG21      ILE  64   2.173 -11.236  10.225
  518   HG22  ILE  64          HG22      ILE  64   3.073  -9.730  10.429
  519   HG23  ILE  64          HG23      ILE  64   2.707 -10.328   8.810
  520   HD11  ILE  64          HD11      ILE  64   2.330  -6.223   9.796
  521   HD12  ILE  64          HD12      ILE  64   3.204  -7.707  10.181
  522   HD13  ILE  64          HD13      ILE  64   1.878  -7.170  11.214
  523    H    ASP  65           HN       ASP  65  -1.626  -9.499   7.141
  524    HA   ASP  65           HA       ASP  65  -3.433  -8.056   8.900
  525    HB2  ASP  65           HB2      ASP  65  -2.737  -6.942   6.829
  526    HB3  ASP  65           HB1      ASP  65  -3.324  -8.300   5.879
  527    H    GLY  66           HN       GLY  66  -5.736  -8.524   8.873
  528    HA2  GLY  66           HA2      GLY  66  -6.390 -11.204   7.870
  529    HA3  GLY  66           HA1      GLY  66  -6.825 -10.697   9.522
  530    H    ARG  67           HN       ARG  67  -6.897  -8.427   6.920
  531    HA   ARG  67           HA       ARG  67  -9.834  -8.282   7.086
  532    HB2  ARG  67           HB2      ARG  67  -8.399  -6.375   7.841
  533    HB3  ARG  67           HB1      ARG  67  -7.745  -6.282   6.226
  534    HG2  ARG  67           HG2      ARG  67  -9.974  -5.655   5.390
  535    HG3  ARG  67           HG1      ARG  67 -10.584  -5.706   7.055
  536    HD2  ARG  67           HD2      ARG  67  -8.799  -4.106   7.700
  537    HD3  ARG  67           HD1      ARG  67  -8.361  -3.985   6.004
  538    HE   ARG  67           HE       ARG  67 -11.060  -3.349   6.284
  539   HH11  ARG  67          HH11      ARG  67  -7.814  -2.114   7.054
  540   HH12  ARG  67          HH12      ARG  67  -8.249  -0.472   7.122
  541   HH21  ARG  67          HH21      ARG  67 -11.736  -1.031   6.498
  542   HH22  ARG  67          HH22      ARG  67 -10.563   0.138   6.891
  543    H    PHE  68           HN       PHE  68  -6.983  -8.413   5.100
  544    HA   PHE  68           HA       PHE  68  -8.271  -8.358   2.579
  545    HB2  PHE  68           HB2      PHE  68  -5.574  -8.510   3.617
  546    HB3  PHE  68           HB1      PHE  68  -5.812  -9.533   2.204
  547    HD1  PHE  68           HD2      PHE  68  -6.174  -6.058   3.449
  548    HD2  PHE  68           HD1      PHE  68  -5.907  -8.644   0.103
  549    HE1  PHE  68           HE2      PHE  68  -5.934  -4.113   1.957
  550    HE2  PHE  68           HE1      PHE  68  -5.662  -6.723  -1.387
  551    HZ   PHE  68           HZ       PHE  68  -5.675  -4.466  -0.490
  552    H    LEU  69           HN       LEU  69  -7.713 -10.129   1.021
  553    HA   LEU  69           HA       LEU  69  -8.029 -12.823   2.076
  554    HB2  LEU  69           HB2      LEU  69 -10.295 -12.182   1.780
  555    HB3  LEU  69           HB1      LEU  69  -9.971 -11.346   0.310
  556    HG   LEU  69           HG       LEU  69  -9.566 -13.539  -0.791
  557   HD11  LEU  69          HD11      LEU  69 -10.516 -14.654   1.839
  558   HD12  LEU  69          HD12      LEU  69  -8.914 -14.855   1.116
  559   HD13  LEU  69          HD13      LEU  69 -10.326 -15.563   0.339
  560   HD21  LEU  69          HD21      LEU  69 -12.187 -13.230   0.603
  561   HD22  LEU  69          HD22      LEU  69 -11.885 -14.133  -0.886
  562   HD23  LEU  69          HD23      LEU  69 -11.701 -12.377  -0.860
  563    H    ALA  70           HN       ALA  70  -6.634 -14.097   0.975
  564    HA   ALA  70           HA       ALA  70  -5.745 -13.272  -1.662
  565    HB1  ALA  70           HB1      ALA  70  -4.901 -15.630   0.045
  566    HB2  ALA  70           HB2      ALA  70  -3.966 -14.146  -0.215
  567    HB3  ALA  70           HB3      ALA  70  -4.276 -15.259  -1.554
  568    H    LEU  71           HN       LEU  71  -7.141 -13.688  -3.087
  569    HA   LEU  71           HA       LEU  71  -9.000 -15.822  -2.999
  570    HB2  LEU  71           HB2      LEU  71  -8.200 -13.855  -5.136
  571    HB3  LEU  71           HB1      LEU  71  -9.558 -14.964  -5.274
  572    HG   LEU  71           HG       LEU  71  -9.465 -13.158  -2.901
  573   HD11  LEU  71          HD11      LEU  71 -10.376 -12.357  -5.633
  574   HD12  LEU  71          HD12      LEU  71  -8.950 -11.708  -4.805
  575   HD13  LEU  71          HD13      LEU  71 -10.565 -11.414  -4.155
  576   HD21  LEU  71          HD21      LEU  71 -11.826 -13.217  -3.203
  577   HD22  LEU  71          HD22      LEU  71 -11.178 -14.869  -3.166
  578   HD23  LEU  71          HD23      LEU  71 -11.636 -14.111  -4.710
  579    H    SER  72           HN       SER  72  -9.078 -16.836  -5.491
  580    HA   SER  72           HA       SER  72  -7.932 -19.187  -5.350
  581    HB2  SER  72           HB2      SER  72  -8.353 -17.748  -7.935
  582    HB3  SER  72           HB1      SER  72  -8.554 -19.472  -7.590
  583    HG   SER  72           HG       SER  72 -10.184 -18.672  -5.937
  584    H    ASP  73           HN       ASP  73  -6.205 -16.458  -6.928
  585    HA   ASP  73           HA       ASP  73  -3.896 -18.293  -7.180
  586    HB2  ASP  73           HB2      ASP  73  -5.090 -17.701  -9.352
  587    HB3  ASP  73           HB1      ASP  73  -4.571 -16.047  -9.097
  588    H    GLN  74           HN       GLN  74  -4.272 -16.752  -4.892
  589    HA   GLN  74           HA       GLN  74  -3.236 -15.284  -3.509
  590    HB2  GLN  74           HB2      GLN  74  -1.062 -15.839  -5.480
  591    HB3  GLN  74           HB1      GLN  74  -0.855 -14.399  -4.500
  592    HG2  GLN  74           HG2      GLN  74   0.275 -16.361  -3.543
  593    HG3  GLN  74           HG1      GLN  74  -0.953 -15.702  -2.471
  594   HE21  GLN  74          HE21      GLN  74  -1.507 -17.748  -5.271
  595   HE22  GLN  74          HE22      GLN  74  -2.216 -19.037  -4.380
  596    H    THR  75           HN       THR  75  -4.789 -14.602  -5.751
  597    HA   THR  75           HA       THR  75  -4.203 -11.886  -6.510
  598    HB   THR  75           HB       THR  75  -6.825 -13.391  -6.653
  599    HG1  THR  75           HG1      THR  75  -4.402 -13.817  -7.874
  600   HG21  THR  75          HG21      THR  75  -6.860 -10.999  -7.292
  601   HG22  THR  75          HG22      THR  75  -7.151 -12.048  -8.681
  602   HG23  THR  75          HG23      THR  75  -5.568 -11.305  -8.454
  603    H    TRP  76           HN       TRP  76  -4.790 -10.138  -5.155
  604    HA   TRP  76           HA       TRP  76  -6.102 -11.034  -2.743
  605    HB2  TRP  76           HB2      TRP  76  -4.430  -8.582  -3.283
  606    HB3  TRP  76           HB1      TRP  76  -5.247  -8.905  -1.763
  607    HD1  TRP  76           HD1      TRP  76  -2.270 -10.030  -3.862
  608    HE1  TRP  76           HE1      TRP  76  -0.706 -11.457  -2.417
  609    HE3  TRP  76           HE3      TRP  76  -5.195 -10.484   0.311
  610    HZ2  TRP  76           HZ2      TRP  76  -0.689 -12.610   0.187
  611    HZ3  TRP  76           HZ3      TRP  76  -4.328 -11.753   2.224
  612    HH2  TRP  76           HH2      TRP  76  -2.124 -12.796   2.158
  613    H    GLY  77           HN       GLY  77  -7.490  -9.641  -1.689
  614    HA2  GLY  77           HA2      GLY  77  -8.809  -7.544  -2.920
  615    HA3  GLY  77           HA1      GLY  77  -9.712  -9.042  -3.171
  616    H    LEU  78           HN       LEU  78 -11.346  -8.411  -1.850
  617    HA   LEU  78           HA       LEU  78 -10.638  -8.195   0.981
  618    HB2  LEU  78           HB2      LEU  78 -12.891  -6.800  -0.451
  619    HB3  LEU  78           HB1      LEU  78 -12.608  -6.753   1.275
  620    HG   LEU  78           HG       LEU  78 -10.792  -5.605  -0.843
  621   HD11  LEU  78          HD11      LEU  78 -12.590  -4.261   1.161
  622   HD12  LEU  78          HD12      LEU  78 -12.850  -4.345  -0.580
  623   HD13  LEU  78          HD13      LEU  78 -11.476  -3.446   0.063
  624   HD21  LEU  78          HD21      LEU  78  -9.558  -4.628   1.046
  625   HD22  LEU  78          HD22      LEU  78  -9.508  -6.386   1.074
  626   HD23  LEU  78          HD23      LEU  78 -10.583  -5.520   2.172
  627    H    ARG  79           HN       ARG  79 -11.655  -9.476   2.304
  628    HA   ARG  79           HA       ARG  79 -13.202 -11.626   1.237
  629    HB2  ARG  79           HB2      ARG  79 -13.303 -12.400   3.576
  630    HB3  ARG  79           HB1      ARG  79 -11.664 -12.060   3.073
  631    HG2  ARG  79           HG2      ARG  79 -11.804  -9.879   4.215
  632    HG3  ARG  79           HG1      ARG  79 -13.415 -10.315   4.782
  633    HD2  ARG  79           HD2      ARG  79 -12.384 -12.362   5.769
  634    HD3  ARG  79           HD1      ARG  79 -10.819 -11.681   5.376
  635    HE   ARG  79           HE       ARG  79 -11.677  -9.679   6.715
  636   HH11  ARG  79          HH11      ARG  79 -12.391 -13.056   7.522
  637   HH12  ARG  79          HH12      ARG  79 -12.438 -12.794   9.200
  638   HH21  ARG  79          HH21      ARG  79 -11.768  -9.334   9.056
  639   HH22  ARG  79          HH22      ARG  79 -12.069 -10.659  10.088
  640    H    SER  80           HN       SER  80 -13.960  -8.531   2.342
  641    HA   SER  80           HA       SER  80 -16.475  -9.082   3.475
  642    HB2  SER  80           HB2      SER  80 -16.490  -6.490   3.222
  643    HB3  SER  80           HB1      SER  80 -15.395  -7.268   4.372
  644    HG   SER  80           HG       SER  80 -14.337  -5.729   3.050
  645    H    TRP  81           HN       TRP  81 -15.487  -9.121   0.268
  646    HA   TRP  81           HA       TRP  81 -17.825  -7.835  -0.863
  647    HB2  TRP  81           HB2      TRP  81 -15.794  -9.635  -2.172
  648    HB3  TRP  81           HB1      TRP  81 -17.091  -8.809  -3.010
  649    HD1  TRP  81           HD1      TRP  81 -16.614  -5.911  -1.600
  650    HE1  TRP  81           HE1      TRP  81 -14.579  -4.557  -2.396
  651    HE3  TRP  81           HE3      TRP  81 -13.822  -9.716  -3.578
  652    HZ2  TRP  81           HZ2      TRP  81 -12.143  -5.046  -3.704
  653    HZ3  TRP  81           HZ3      TRP  81 -11.666  -9.183  -4.589
  654    HH2  TRP  81           HH2      TRP  81 -10.836  -6.907  -4.651
  655    H    TYR  82           HN       TYR  82 -16.907 -11.071   0.074
  656    HA   TYR  82           HA       TYR  82 -19.403 -12.127  -1.085
  657    HB2  TYR  82           HB2      TYR  82 -16.838 -13.703  -1.055
  658    HB3  TYR  82           HB1      TYR  82 -18.282 -13.987  -1.999
  659    HD1  TYR  82           HD1      TYR  82 -18.747 -12.264  -3.947
  660    HD2  TYR  82           HD2      TYR  82 -15.005 -12.665  -1.967
  661    HE1  TYR  82           HE1      TYR  82 -17.611 -11.256  -5.880
  662    HE2  TYR  82           HE2      TYR  82 -13.861 -11.680  -3.840
  663    HH   TYR  82           HH       TYR  82 -14.206 -11.330  -6.226
  Start of MODEL   12
    1    H1   GLY   2           HT1      GLY   2  -9.733   5.814  -0.026
    2    H2   GLY   2           HT2      GLY   2 -10.860   6.236  -1.190
    3    H3   GLY   2           HT3      GLY   2 -10.835   7.042   0.271
    4    HA2  GLY   2           HA1      GLY   2  -9.968   8.487  -1.359
    5    HA3  GLY   2           HA2      GLY   2  -8.673   7.995  -0.279
    6    H    ILE   3           HN       ILE   3  -7.021   6.818  -1.027
    7    HA   ILE   3           HA       ILE   3  -5.318   6.662  -2.337
    8    HB   ILE   3           HB       ILE   3  -5.015   4.736  -3.641
    9   HG12  ILE   3          HG12      ILE   3  -7.064   4.703  -5.040
   10   HG13  ILE   3          HG11      ILE   3  -6.727   3.152  -4.319
   11   HG21  ILE   3          HG21      ILE   3  -5.030   4.504  -1.323
   12   HG22  ILE   3          HG22      ILE   3  -5.727   3.050  -2.051
   13   HG23  ILE   3          HG23      ILE   3  -6.772   4.269  -1.308
   14   HD11  ILE   3          HD11      ILE   3  -9.111   3.686  -4.369
   15   HD12  ILE   3          HD12      ILE   3  -8.814   5.084  -3.327
   16   HD13  ILE   3          HD13      ILE   3  -8.503   3.447  -2.738
   17    H    LYS   4           HN       LYS   4  -7.827   6.973  -4.738
   18    HA   LYS   4           HA       LYS   4  -5.826   7.928  -6.568
   19    HB2  LYS   4           HB2      LYS   4  -7.772   8.325  -8.108
   20    HB3  LYS   4           HB1      LYS   4  -7.588   6.664  -7.572
   21    HG2  LYS   4           HG2      LYS   4  -9.361   7.034  -5.911
   22    HG3  LYS   4           HG1      LYS   4  -9.565   8.674  -6.526
   23    HD2  LYS   4           HD2      LYS   4 -10.135   7.787  -8.716
   24    HD3  LYS   4           HD1      LYS   4  -9.909   6.140  -8.123
   25    HE2  LYS   4           HE2      LYS   4 -12.258   6.647  -8.123
   26    HE3  LYS   4           HE1      LYS   4 -11.694   6.545  -6.462
   27    HZ1  LYS   4           HZ1      LYS   4 -11.568   9.035  -6.480
   28    HZ2  LYS   4           HZ2      LYS   4 -13.092   8.358  -6.620
   29    HZ3  LYS   4           HZ3      LYS   4 -12.350   8.987  -8.000
   30    H    GLN   5           HN       GLN   5  -7.291   9.180  -3.998
   31    HA   GLN   5           HA       GLN   5  -6.244  11.707  -4.706
   32    HB2  GLN   5           HB2      GLN   5  -8.126  13.056  -3.859
   33    HB3  GLN   5           HB1      GLN   5  -8.548  12.152  -5.293
   34    HG2  GLN   5           HG2      GLN   5  -9.267  11.205  -2.541
   35    HG3  GLN   5           HG1      GLN   5 -10.230  12.380  -3.424
   36   HE21  GLN   5          HE21      GLN   5 -10.986   9.747  -2.499
   37   HE22  GLN   5          HE22      GLN   5 -11.494   8.853  -3.855
   38    H    TYR   6           HN       TYR   6  -4.702  11.493  -3.441
   39    HA   TYR   6           HA       TYR   6  -4.928  12.178  -0.663
   40    HB2  TYR   6           HB2      TYR   6  -3.663   9.538  -1.441
   41    HB3  TYR   6           HB1      TYR   6  -3.154  10.441  -0.036
   42    HD1  TYR   6           HD2      TYR   6  -5.700  11.303   1.125
   43    HD2  TYR   6           HD1      TYR   6  -4.628   7.624  -0.661
   44    HE1  TYR   6           HE2      TYR   6  -7.406  10.163   2.458
   45    HE2  TYR   6           HE1      TYR   6  -6.302   6.475   0.657
   46    HH   TYR   6           HH       TYR   6  -7.514   6.828   2.808
   47    H    SER   7           HN       SER   7  -2.920  12.724   0.182
   48    HA   SER   7           HA       SER   7  -1.268  14.045  -1.822
   49    HB2  SER   7           HB2      SER   7  -0.711  13.997   1.122
   50    HB3  SER   7           HB1      SER   7  -0.512  15.308  -0.037
   51    HG   SER   7           HG       SER   7  -2.909  14.357   1.146
   52    H    GLN   8           HN       GLN   8   0.970  13.829  -1.840
   53    HA   GLN   8           HA       GLN   8   1.863  11.237  -2.276
   54    HB2  GLN   8           HB2      GLN   8   2.752  13.252  -3.330
   55    HB3  GLN   8           HB1      GLN   8   3.416  13.770  -1.789
   56    HG2  GLN   8           HG2      GLN   8   4.821  11.758  -1.776
   57    HG3  GLN   8           HG1      GLN   8   4.111  11.370  -3.347
   58   HE21  GLN   8          HE21      GLN   8   6.071  13.761  -1.672
   59   HE22  GLN   8          HE22      GLN   8   6.922  14.311  -3.050
   60    H    GLU   9           HN       GLU   9   2.741  13.486   0.339
   61    HA   GLU   9           HA       GLU   9   4.255  11.670   1.856
   62    HB2  GLU   9           HB2      GLU   9   2.879  14.237   2.655
   63    HB3  GLU   9           HB1      GLU   9   4.051  13.379   3.639
   64    HG2  GLU   9           HG2      GLU   9   5.234  15.172   2.591
   65    HG3  GLU   9           HG1      GLU   9   5.629  13.625   1.818
   66    H    GLU  10           HN       GLU  10   1.003  12.480   1.648
   67    HA   GLU  10           HA       GLU  10   0.044  11.462   4.117
   68    HB2  GLU  10           HB2      GLU  10  -1.291  12.960   2.712
   69    HB3  GLU  10           HB1      GLU  10  -1.325  11.715   1.463
   70    HG2  GLU  10           HG2      GLU  10  -2.828  10.414   2.676
   71    HG3  GLU  10           HG1      GLU  10  -2.480  11.254   4.188
   72    H    LEU  11           HN       LEU  11   0.363  10.038   0.918
   73    HA   LEU  11           HA       LEU  11  -0.531   7.455   1.665
   74    HB2  LEU  11           HB2      LEU  11   1.143   8.416  -0.637
   75    HB3  LEU  11           HB1      LEU  11   0.566   6.767  -0.451
   76    HG   LEU  11           HG       LEU  11  -1.350   9.083  -0.515
   77   HD11  LEU  11          HD11      LEU  11  -1.657   8.676  -2.862
   78   HD12  LEU  11          HD12      LEU  11  -0.472   7.381  -2.814
   79   HD13  LEU  11          HD13      LEU  11   0.045   9.061  -2.567
   80   HD21  LEU  11          HD21      LEU  11  -2.852   7.289  -1.291
   81   HD22  LEU  11          HD22      LEU  11  -2.254   7.042   0.348
   82   HD23  LEU  11          HD23      LEU  11  -1.571   6.120  -0.994
   83    H    LYS  12           HN       LYS  12   2.525   9.061   1.809
   84    HA   LYS  12           HA       LYS  12   4.130   6.785   2.399
   85    HB2  LYS  12           HB2      LYS  12   4.421   9.734   2.691
   86    HB3  LYS  12           HB1      LYS  12   5.553   8.745   3.563
   87    HG2  LYS  12           HG2      LYS  12   5.105   8.701   0.579
   88    HG3  LYS  12           HG1      LYS  12   6.432   9.516   1.409
   89    HD2  LYS  12           HD2      LYS  12   7.100   7.273   2.349
   90    HD3  LYS  12           HD1      LYS  12   5.873   6.555   1.307
   91    HE2  LYS  12           HE2      LYS  12   7.022   7.497  -0.652
   92    HE3  LYS  12           HE1      LYS  12   8.255   8.152   0.409
   93    HZ1  LYS  12           HZ1      LYS  12   8.917   6.024  -0.639
   94    HZ2  LYS  12           HZ2      LYS  12   7.688   5.225   0.197
   95    HZ3  LYS  12           HZ3      LYS  12   8.924   5.953   1.039
   96    H    GLU  13           HN       GLU  13   2.041   8.827   4.246
   97    HA   GLU  13           HA       GLU  13   2.842   7.613   6.770
   98    HB2  GLU  13           HB2      GLU  13   1.092   9.976   6.109
   99    HB3  GLU  13           HB1      GLU  13   1.291   9.351   7.740
  100    HG2  GLU  13           HG2      GLU  13   3.479  10.431   5.976
  101    HG3  GLU  13           HG1      GLU  13   2.750  11.252   7.361
  102    H    MET  14           HN       MET  14   1.344   6.242   4.655
  103    HA   MET  14           HA       MET  14  -0.892   5.367   6.327
  104    HB2  MET  14           HB2      MET  14  -0.840   5.571   3.310
  105    HB3  MET  14           HB1      MET  14  -2.036   4.662   4.209
  106    HG2  MET  14           HG2      MET  14  -2.778   6.753   5.276
  107    HG3  MET  14           HG1      MET  14  -1.595   7.635   4.312
  108    HE1  MET  14           HE1      MET  14  -3.778   4.531   3.138
  109    HE2  MET  14           HE2      MET  14  -5.202   5.365   2.524
  110    HE3  MET  14           HE3      MET  14  -4.819   5.425   4.243
  111    H    ALA  15           HN       ALA  15  -1.222   3.153   6.314
  112    HA   ALA  15           HA       ALA  15   1.010   1.480   5.704
  113    HB1  ALA  15           HB1      ALA  15  -0.563  -0.353   6.319
  114    HB2  ALA  15           HB2      ALA  15  -1.873   0.830   6.355
  115    HB3  ALA  15           HB3      ALA  15  -0.559   0.940   7.527
  116    H    LEU  16           HN       LEU  16   1.350   0.400   3.728
  117    HA   LEU  16           HA       LEU  16  -0.418   1.294   1.720
  118    HB2  LEU  16           HB2      LEU  16   0.929   0.313  -0.023
  119    HB3  LEU  16           HB1      LEU  16   1.944   1.174   1.101
  120    HG   LEU  16           HG       LEU  16   1.670  -1.807   0.927
  121   HD11  LEU  16          HD11      LEU  16   2.705  -0.871  -1.047
  122   HD12  LEU  16          HD12      LEU  16   3.904  -1.710  -0.064
  123   HD13  LEU  16          HD13      LEU  16   3.825   0.052  -0.046
  124   HD21  LEU  16          HD21      LEU  16   3.673  -1.831   2.349
  125   HD22  LEU  16          HD22      LEU  16   2.288  -1.107   3.156
  126   HD23  LEU  16          HD23      LEU  16   3.569  -0.074   2.510
  127    H    VAL  17           HN       VAL  17  -0.399  -1.618   3.538
  128    HA   VAL  17           HA       VAL  17  -2.183  -2.940   1.775
  129    HB   VAL  17           HB       VAL  17  -0.937  -3.984   3.757
  130   HG11  VAL  17          HG11      VAL  17  -2.134  -4.059   5.904
  131   HG12  VAL  17          HG12      VAL  17  -3.231  -2.812   5.311
  132   HG13  VAL  17          HG13      VAL  17  -1.515  -2.455   5.510
  133   HG21  VAL  17          HG21      VAL  17  -3.868  -4.567   3.456
  134   HG22  VAL  17          HG22      VAL  17  -2.655  -5.666   4.125
  135   HG23  VAL  17          HG23      VAL  17  -2.571  -5.172   2.431
  136    H    GLU  18           HN       GLU  18  -2.555  -0.370   4.041
  137    HA   GLU  18           HA       GLU  18  -5.394  -0.491   4.209
  138    HB2  GLU  18           HB2      GLU  18  -3.996   0.699   5.898
  139    HB3  GLU  18           HB1      GLU  18  -3.512   1.857   4.669
  140    HG2  GLU  18           HG2      GLU  18  -5.189   2.808   6.113
  141    HG3  GLU  18           HG1      GLU  18  -5.819   2.599   4.480
  142    H    ILE  19           HN       ILE  19  -3.028   1.211   2.274
  143    HA   ILE  19           HA       ILE  19  -4.685   2.618   0.512
  144    HB   ILE  19           HB       ILE  19  -2.000   1.292  -0.018
  145   HG12  ILE  19          HG12      ILE  19  -2.660   4.170   0.668
  146   HG13  ILE  19          HG11      ILE  19  -1.980   2.990   1.777
  147   HG21  ILE  19          HG21      ILE  19  -1.745   2.814  -1.940
  148   HG22  ILE  19          HG22      ILE  19  -3.400   3.374  -1.715
  149   HG23  ILE  19          HG23      ILE  19  -3.095   1.702  -2.151
  150   HD11  ILE  19          HD11      ILE  19  -0.655   4.051  -0.716
  151   HD12  ILE  19          HD12      ILE  19   0.044   2.871   0.389
  152   HD13  ILE  19          HD13      ILE  19  -0.278   4.513   0.942
  153    H    ALA  20           HN       ALA  20  -3.442  -0.687   0.357
  154    HA   ALA  20           HA       ALA  20  -4.668  -1.437  -2.031
  155    HB1  ALA  20           HB1      ALA  20  -3.984  -3.219   0.305
  156    HB2  ALA  20           HB2      ALA  20  -2.866  -2.717  -0.964
  157    HB3  ALA  20           HB3      ALA  20  -4.250  -3.735  -1.362
  158    H    HIS  21           HN       HIS  21  -5.918  -1.544   1.293
  159    HA   HIS  21           HA       HIS  21  -8.324  -2.974   0.803
  160    HB2  HIS  21           HB2      HIS  21  -8.053  -0.620   2.688
  161    HB3  HIS  21           HB1      HIS  21  -9.351  -1.812   2.700
  162    HD1  HIS  21           HD1      HIS  21  -7.084  -0.883   4.852
  163    HD2  HIS  21           HD2      HIS  21  -7.519  -4.524   2.931
  164    HE1  HIS  21           HE1      HIS  21  -5.869  -2.550   6.276
  165    HE2  HIS  21           HE2      HIS  21  -5.943  -4.662   5.034
  166    H    GLU  22           HN       GLU  22  -7.644   0.459   0.760
  167    HA   GLU  22           HA       GLU  22 -10.097   1.485  -0.038
  168    HB2  GLU  22           HB2      GLU  22  -7.308   2.405  -0.632
  169    HB3  GLU  22           HB1      GLU  22  -8.763   3.381  -0.807
  170    HG2  GLU  22           HG2      GLU  22  -7.854   2.204   1.790
  171    HG3  GLU  22           HG1      GLU  22  -7.431   3.826   1.233
  172    H    LEU  23           HN       LEU  23  -7.275   0.495  -1.920
  173    HA   LEU  23           HA       LEU  23  -8.056   1.144  -4.509
  174    HB2  LEU  23           HB2      LEU  23  -5.799   0.467  -3.832
  175    HB3  LEU  23           HB1      LEU  23  -6.369  -1.142  -3.483
  176    HG   LEU  23           HG       LEU  23  -6.622  -1.606  -5.907
  177   HD11  LEU  23          HD11      LEU  23  -7.306   0.672  -6.586
  178   HD12  LEU  23          HD12      LEU  23  -5.962   0.051  -7.542
  179   HD13  LEU  23          HD13      LEU  23  -5.665   1.235  -6.270
  180   HD21  LEU  23          HD21      LEU  23  -4.017  -0.280  -5.214
  181   HD22  LEU  23          HD22      LEU  23  -4.289  -1.479  -6.486
  182   HD23  LEU  23          HD23      LEU  23  -4.479  -1.924  -4.786
  183    H    PHE  24           HN       PHE  24  -8.549  -1.806  -2.673
  184    HA   PHE  24           HA       PHE  24 -10.009  -2.993  -4.787
  185    HB2  PHE  24           HB2      PHE  24  -9.386  -3.897  -2.010
  186    HB3  PHE  24           HB1      PHE  24 -10.464  -4.818  -3.055
  187    HD1  PHE  24           HD1      PHE  24  -9.625  -5.543  -5.296
  188    HD2  PHE  24           HD2      PHE  24  -7.099  -4.047  -2.268
  189    HE1  PHE  24           HE1      PHE  24  -7.726  -6.571  -6.398
  190    HE2  PHE  24           HE2      PHE  24  -5.162  -5.072  -3.355
  191    HZ   PHE  24           HZ       PHE  24  -5.474  -6.348  -5.447
  192    H    GLU  25           HN       GLU  25 -10.979  -1.276  -1.884
  193    HA   GLU  25           HA       GLU  25 -13.704  -1.901  -2.391
  194    HB2  GLU  25           HB2      GLU  25 -12.368  -0.069  -0.468
  195    HB3  GLU  25           HB1      GLU  25 -14.078   0.173  -0.803
  196    HG2  GLU  25           HG2      GLU  25 -12.876  -2.438   0.081
  197    HG3  GLU  25           HG1      GLU  25 -13.652  -1.276   1.156
  198    H    GLU  26           HN       GLU  26 -11.632   0.392  -3.715
  199    HA   GLU  26           HA       GLU  26 -13.746   2.055  -4.724
  200    HB2  GLU  26           HB2      GLU  26 -11.462   2.897  -4.144
  201    HB3  GLU  26           HB1      GLU  26 -10.800   1.951  -5.453
  202    HG2  GLU  26           HG2      GLU  26 -12.845   4.085  -5.967
  203    HG3  GLU  26           HG1      GLU  26 -11.151   4.482  -5.741
  204    H    HIS  27           HN       HIS  27 -11.596  -0.436  -6.016
  205    HA   HIS  27           HA       HIS  27 -12.914  -0.346  -8.594
  206    HB2  HIS  27           HB2      HIS  27 -10.695  -2.105  -7.542
  207    HB3  HIS  27           HB1      HIS  27 -11.446  -2.393  -9.105
  208    HD1  HIS  27           HD1      HIS  27 -10.347  -1.250 -11.010
  209    HD2  HIS  27           HD2      HIS  27  -9.578   0.659  -7.412
  210    HE1  HIS  27           HE1      HIS  27  -8.855   0.671 -11.578
  211    HE2  HIS  27           HE2      HIS  27  -8.902   2.012  -9.470
  212    H    LYS  28           HN       LYS  28 -12.838  -2.582  -5.866
  213    HA   LYS  28           HA       LYS  28 -13.949  -4.386  -5.287
  214    HB2  LYS  28           HB2      LYS  28 -16.178  -3.110  -6.894
  215    HB3  LYS  28           HB1      LYS  28 -16.402  -4.448  -5.776
  216    HG2  LYS  28           HG2      LYS  28 -15.683  -3.058  -3.918
  217    HG3  LYS  28           HG1      LYS  28 -15.358  -1.721  -5.019
  218    HD2  LYS  28           HD2      LYS  28 -17.736  -1.700  -5.644
  219    HD3  LYS  28           HD1      LYS  28 -18.045  -2.981  -4.472
  220    HE2  LYS  28           HE2      LYS  28 -16.934  -0.250  -3.834
  221    HE3  LYS  28           HE1      LYS  28 -18.612  -0.733  -3.622
  222    HZ1  LYS  28           HZ1      LYS  28 -16.328  -2.057  -2.195
  223    HZ2  LYS  28           HZ2      LYS  28 -17.969  -2.284  -1.940
  224    HZ3  LYS  28           HZ3      LYS  28 -17.269  -0.812  -1.587
  225    H    LYS  29           HN       LYS  29 -12.220  -5.049  -6.948
  226    HA   LYS  29           HA       LYS  29 -13.372  -6.953  -8.820
  227    HB2  LYS  29           HB2      LYS  29 -11.053  -5.118  -9.514
  228    HB3  LYS  29           HB1      LYS  29 -11.818  -6.296 -10.556
  229    HG2  LYS  29           HG2      LYS  29 -13.130  -3.783  -9.550
  230    HG3  LYS  29           HG1      LYS  29 -12.347  -3.947 -11.118
  231    HD2  LYS  29           HD2      LYS  29 -13.962  -5.638 -11.764
  232    HD3  LYS  29           HD1      LYS  29 -14.688  -5.576 -10.156
  233    HE2  LYS  29           HE2      LYS  29 -15.979  -4.266 -11.773
  234    HE3  LYS  29           HE1      LYS  29 -15.316  -3.268 -10.487
  235    HZ1  LYS  29           HZ1      LYS  29 -13.580  -2.524 -12.007
  236    HZ2  LYS  29           HZ2      LYS  29 -15.097  -2.228 -12.628
  237    HZ3  LYS  29           HZ3      LYS  29 -14.197  -3.510 -13.238
  238    HA   PRO  30           HA       PRO  30  -9.851  -8.937  -6.779
  239    HB2  PRO  30           HB2      PRO  30 -10.034 -11.100  -8.775
  240    HB3  PRO  30           HB1      PRO  30 -10.331 -11.147  -7.047
  241    HG2  PRO  30           HG2      PRO  30 -12.338 -11.374  -8.858
  242    HG3  PRO  30           HG1      PRO  30 -12.553 -10.681  -7.244
  243    HD2  PRO  30           HD2      PRO  30 -12.235  -9.293  -9.871
  244    HD3  PRO  30           HD1      PRO  30 -13.322  -8.925  -8.512
  245    H    VAL  31           HN       VAL  31  -7.963  -7.991  -7.213
  246    HA   VAL  31           HA       VAL  31  -6.998  -7.857  -9.989
  247    HB   VAL  31           HB       VAL  31  -6.359  -5.918  -7.725
  248   HG11  VAL  31          HG11      VAL  31  -5.687  -5.740 -10.643
  249   HG12  VAL  31          HG12      VAL  31  -4.564  -6.059  -9.320
  250   HG13  VAL  31          HG13      VAL  31  -5.376  -4.496  -9.430
  251   HG21  VAL  31          HG21      VAL  31  -7.708  -4.276  -8.892
  252   HG22  VAL  31          HG22      VAL  31  -8.688  -5.661  -8.405
  253   HG23  VAL  31          HG23      VAL  31  -8.182  -5.481 -10.091
  254    HA   PRO  32           HA       PRO  32  -3.669 -10.444  -8.444
  255    HB2  PRO  32           HB2      PRO  32  -2.149  -9.241 -10.686
  256    HB3  PRO  32           HB1      PRO  32  -2.455 -10.943 -10.342
  257    HG2  PRO  32           HG2      PRO  32  -3.722  -9.741 -12.329
  258    HG3  PRO  32           HG1      PRO  32  -4.582 -10.881 -11.275
  259    HD2  PRO  32           HD2      PRO  32  -4.617  -7.894 -11.271
  260    HD3  PRO  32           HD1      PRO  32  -5.947  -9.057 -11.099
  261    H    PHE  33           HN       PHE  33  -1.634 -10.243  -7.472
  262    HA   PHE  33           HA       PHE  33  -1.219  -8.007  -5.906
  263    HB2  PHE  33           HB2      PHE  33  -0.399 -10.244  -5.335
  264    HB3  PHE  33           HB1      PHE  33   0.769 -10.155  -6.659
  265    HD1  PHE  33           HD2      PHE  33  -0.148  -8.725  -3.372
  266    HD2  PHE  33           HD1      PHE  33   2.863  -9.106  -6.354
  267    HE1  PHE  33           HE2      PHE  33   1.495  -7.751  -1.832
  268    HE2  PHE  33           HE1      PHE  33   4.511  -8.135  -4.816
  269    HZ   PHE  33           HZ       PHE  33   3.831  -7.454  -2.550
  270    H    GLN  34           HN       GLN  34   0.318  -8.869  -8.927
  271    HA   GLN  34           HA       GLN  34   2.221  -6.772  -8.813
  272    HB2  GLN  34           HB2      GLN  34   1.302  -8.499 -11.093
  273    HB3  GLN  34           HB1      GLN  34   2.600  -7.318 -11.213
  274    HG2  GLN  34           HG2      GLN  34   2.674  -9.443  -9.118
  275    HG3  GLN  34           HG1      GLN  34   3.204  -9.775 -10.762
  276   HE21  GLN  34          HE21      GLN  34   3.749  -6.533  -9.519
  277   HE22  GLN  34          HE22      GLN  34   5.424  -6.766  -9.262
  278    H    GLU  35           HN       GLU  35  -1.036  -6.967 -10.031
  279    HA   GLU  35           HA       GLU  35  -0.702  -4.673 -11.698
  280    HB2  GLU  35           HB2      GLU  35  -2.970  -6.550 -11.106
  281    HB3  GLU  35           HB1      GLU  35  -3.254  -5.049 -11.970
  282    HG2  GLU  35           HG2      GLU  35  -2.969  -7.071 -13.427
  283    HG3  GLU  35           HG1      GLU  35  -1.898  -5.736 -13.805
  284    H    LEU  36           HN       LEU  36  -1.965  -5.519  -8.584
  285    HA   LEU  36           HA       LEU  36  -3.130  -3.008  -8.132
  286    HB2  LEU  36           HB2      LEU  36  -3.409  -3.694  -5.801
  287    HB3  LEU  36           HB1      LEU  36  -3.818  -4.990  -6.868
  288    HG   LEU  36           HG       LEU  36  -1.455  -5.906  -6.391
  289   HD11  LEU  36          HD11      LEU  36  -1.747  -4.118  -3.999
  290   HD12  LEU  36          HD12      LEU  36  -0.531  -3.991  -5.275
  291   HD13  LEU  36          HD13      LEU  36  -0.562  -5.408  -4.220
  292   HD21  LEU  36          HD21      LEU  36  -2.250  -7.065  -4.370
  293   HD22  LEU  36          HD22      LEU  36  -3.442  -7.040  -5.665
  294   HD23  LEU  36          HD23      LEU  36  -3.605  -5.942  -4.290
  295    H    LEU  37           HN       LEU  37   0.164  -4.196  -7.787
  296    HA   LEU  37           HA       LEU  37   1.186  -2.049  -6.269
  297    HB2  LEU  37           HB2      LEU  37   2.486  -3.886  -8.253
  298    HB3  LEU  37           HB1      LEU  37   3.369  -2.755  -7.246
  299    HG   LEU  37           HG       LEU  37   1.696  -5.037  -6.196
  300   HD11  LEU  37          HD11      LEU  37   3.606  -5.846  -7.475
  301   HD12  LEU  37          HD12      LEU  37   3.830  -6.120  -5.748
  302   HD13  LEU  37          HD13      LEU  37   4.674  -4.794  -6.548
  303   HD21  LEU  37          HD21      LEU  37   3.682  -3.199  -4.859
  304   HD22  LEU  37          HD22      LEU  37   2.890  -4.581  -4.107
  305   HD23  LEU  37          HD23      LEU  37   1.933  -3.191  -4.614
  306    H    ASN  38           HN       ASN  38   0.872  -2.644  -9.722
  307    HA   ASN  38           HA       ASN  38   1.979  -0.375 -10.876
  308    HB2  ASN  38           HB2      ASN  38  -0.627  -1.720 -11.557
  309    HB3  ASN  38           HB1      ASN  38   0.160  -0.552 -12.624
  310   HD21  ASN  38          HD21      ASN  38   2.803  -1.961 -11.996
  311   HD22  ASN  38          HD22      ASN  38   2.690  -3.421 -12.904
  312    H    GLU  39           HN       GLU  39  -1.285  -0.824  -9.617
  313    HA   GLU  39           HA       GLU  39  -2.330   1.738  -9.996
  314    HB2  GLU  39           HB2      GLU  39  -2.916  -0.234  -7.806
  315    HB3  GLU  39           HB1      GLU  39  -3.938   1.114  -8.278
  316    HG2  GLU  39           HG2      GLU  39  -3.188  -1.185 -10.039
  317    HG3  GLU  39           HG1      GLU  39  -4.699  -1.055  -9.141
  318    H    ILE  40           HN       ILE  40  -0.938   0.262  -7.108
  319    HA   ILE  40           HA       ILE  40  -1.170   2.428  -5.388
  320    HB   ILE  40           HB       ILE  40   0.899   0.208  -5.330
  321   HG12  ILE  40          HG12      ILE  40  -1.689   0.517  -3.784
  322   HG13  ILE  40          HG11      ILE  40  -1.474  -0.520  -5.187
  323   HG21  ILE  40          HG21      ILE  40   0.138   2.159  -3.147
  324   HG22  ILE  40          HG22      ILE  40   1.686   2.090  -3.992
  325   HG23  ILE  40          HG23      ILE  40   1.194   0.759  -2.942
  326   HD11  ILE  40          HD11      ILE  40   0.160  -1.845  -3.973
  327   HD12  ILE  40          HD12      ILE  40  -1.378  -1.786  -3.108
  328   HD13  ILE  40          HD13      ILE  40  -0.019  -0.798  -2.566
  329    H    ALA  41           HN       ALA  41   1.680   1.447  -7.288
  330    HA   ALA  41           HA       ALA  41   3.277   3.563  -6.367
  331    HB1  ALA  41           HB1      ALA  41   3.653   2.043  -8.939
  332    HB2  ALA  41           HB2      ALA  41   4.189   1.533  -7.327
  333    HB3  ALA  41           HB3      ALA  41   4.862   2.991  -8.048
  334    H    SER  42           HN       SER  42   1.014   3.442  -8.995
  335    HA   SER  42           HA       SER  42   1.900   5.971 -10.006
  336    HB2  SER  42           HB2      SER  42  -0.712   4.518 -10.492
  337    HB3  SER  42           HB1      SER  42  -0.107   5.879 -11.434
  338    HG   SER  42           HG       SER  42   0.652   3.217 -11.419
  339    H    LEU  43           HN       LEU  43  -0.743   5.033  -7.901
  340    HA   LEU  43           HA       LEU  43  -1.777   7.682  -7.710
  341    HB2  LEU  43           HB2      LEU  43  -2.091   5.380  -5.779
  342    HB3  LEU  43           HB1      LEU  43  -3.105   6.807  -5.857
  343    HG   LEU  43           HG       LEU  43  -2.896   4.648  -7.956
  344   HD11  LEU  43          HD11      LEU  43  -4.110   3.923  -6.008
  345   HD12  LEU  43          HD12      LEU  43  -5.210   4.160  -7.367
  346   HD13  LEU  43          HD13      LEU  43  -5.123   5.363  -6.079
  347   HD21  LEU  43          HD21      LEU  43  -3.275   6.787  -9.024
  348   HD22  LEU  43          HD22      LEU  43  -4.590   7.146  -7.912
  349   HD23  LEU  43          HD23      LEU  43  -4.755   5.829  -9.074
  350    H    LEU  44           HN       LEU  44   0.562   5.818  -6.013
  351    HA   LEU  44           HA       LEU  44   1.065   7.759  -3.928
  352    HB2  LEU  44           HB2      LEU  44   1.306   5.067  -4.155
  353    HB3  LEU  44           HB1      LEU  44   2.914   5.546  -4.606
  354    HG   LEU  44           HG       LEU  44   1.526   5.971  -1.994
  355   HD11  LEU  44          HD11      LEU  44   3.391   4.558  -1.155
  356   HD12  LEU  44          HD12      LEU  44   3.878   4.322  -2.847
  357   HD13  LEU  44          HD13      LEU  44   2.316   3.756  -2.301
  358   HD21  LEU  44          HD21      LEU  44   4.265   6.904  -2.806
  359   HD22  LEU  44          HD22      LEU  44   3.606   6.989  -1.170
  360   HD23  LEU  44          HD23      LEU  44   2.890   7.952  -2.468
  361    H    GLY  45           HN       GLY  45   2.063   9.527  -4.632
  362    HA2  GLY  45           HA2      GLY  45   3.717   9.768  -6.923
  363    HA3  GLY  45           HA1      GLY  45   3.665  10.929  -5.609
  364    H    VAL  46           HN       VAL  46   5.027   7.774  -6.436
  365    HA   VAL  46           HA       VAL  46   7.638   8.548  -5.304
  366    HB   VAL  46           HB       VAL  46   7.836   6.226  -4.354
  367   HG11  VAL  46          HG11      VAL  46   7.541   8.038  -2.852
  368   HG12  VAL  46          HG12      VAL  46   6.472   6.715  -2.343
  369   HG13  VAL  46          HG13      VAL  46   5.818   8.115  -3.201
  370   HG21  VAL  46          HG21      VAL  46   6.042   5.163  -5.575
  371   HG22  VAL  46          HG22      VAL  46   4.870   6.237  -4.859
  372   HG23  VAL  46          HG23      VAL  46   5.712   5.053  -3.842
  373    H    LYS  47           HN       LYS  47   9.124   6.481  -5.680
  374    HA   LYS  47           HA       LYS  47   8.942   5.846  -8.518
  375    HB2  LYS  47           HB2      LYS  47  11.128   5.252  -6.505
  376    HB3  LYS  47           HB1      LYS  47  11.233   5.074  -8.251
  377    HG2  LYS  47           HG2      LYS  47  11.087   7.468  -8.544
  378    HG3  LYS  47           HG1      LYS  47  10.839   7.687  -6.814
  379    HD2  LYS  47           HD2      LYS  47  13.131   8.191  -7.326
  380    HD3  LYS  47           HD1      LYS  47  13.054   6.673  -6.426
  381    HE2  LYS  47           HE2      LYS  47  14.658   6.516  -8.247
  382    HE3  LYS  47           HE1      LYS  47  13.308   5.419  -8.508
  383    HZ1  LYS  47           HZ1      LYS  47  13.920   6.549 -10.508
  384    HZ2  LYS  47           HZ2      LYS  47  13.732   8.048  -9.795
  385    HZ3  LYS  47           HZ3      LYS  47  12.372   7.071 -10.067
  386    H    LYS  48           HN       LYS  48   9.189   3.678  -9.169
  387    HA   LYS  48           HA       LYS  48   7.527   1.903  -7.677
  388    HB2  LYS  48           HB2      LYS  48   7.357   1.808 -10.029
  389    HB3  LYS  48           HB1      LYS  48   9.090   1.618 -10.228
  390    HG2  LYS  48           HG2      LYS  48   8.144  -0.478 -10.677
  391    HG3  LYS  48           HG1      LYS  48   8.886  -0.552  -9.079
  392    HD2  LYS  48           HD2      LYS  48   6.624  -0.341  -8.034
  393    HD3  LYS  48           HD1      LYS  48   5.870  -0.320  -9.609
  394    HE2  LYS  48           HE2      LYS  48   7.158  -2.491 -10.030
  395    HE3  LYS  48           HE1      LYS  48   7.387  -2.473  -8.276
  396    HZ1  LYS  48           HZ1      LYS  48   4.787  -2.369  -9.643
  397    HZ2  LYS  48           HZ2      LYS  48   5.036  -2.534  -7.962
  398    HZ3  LYS  48           HZ3      LYS  48   5.488  -3.761  -9.045
  399    H    GLU  49           HN       GLU  49  10.948   2.087  -8.358
  400    HA   GLU  49           HA       GLU  49  11.746  -0.381  -7.331
  401    HB2  GLU  49           HB2      GLU  49  14.016   0.731  -7.107
  402    HB3  GLU  49           HB1      GLU  49  13.273   0.742  -8.701
  403    HG2  GLU  49           HG2      GLU  49  12.590   3.022  -8.415
  404    HG3  GLU  49           HG1      GLU  49  13.173   3.027  -6.759
  405    H    GLU  50           HN       GLU  50  11.395   2.700  -5.579
  406    HA   GLU  50           HA       GLU  50  12.495   1.742  -3.141
  407    HB2  GLU  50           HB2      GLU  50  11.536   3.728  -2.094
  408    HB3  GLU  50           HB1      GLU  50  12.234   4.172  -3.641
  409    HG2  GLU  50           HG2      GLU  50   9.992   4.147  -4.640
  410    HG3  GLU  50           HG1      GLU  50   9.314   3.744  -3.068
  411    H    LEU  51           HN       LEU  51   9.438   1.521  -4.690
  412    HA   LEU  51           HA       LEU  51   8.136   0.489  -2.367
  413    HB2  LEU  51           HB2      LEU  51   7.199   0.638  -5.215
  414    HB3  LEU  51           HB1      LEU  51   6.264  -0.001  -3.881
  415    HG   LEU  51           HG       LEU  51   7.156   2.851  -4.217
  416   HD11  LEU  51          HD11      LEU  51   4.462   1.519  -4.350
  417   HD12  LEU  51          HD12      LEU  51   5.407   2.089  -5.717
  418   HD13  LEU  51          HD13      LEU  51   4.777   3.248  -4.541
  419   HD21  LEU  51          HD21      LEU  51   7.106   2.208  -1.847
  420   HD22  LEU  51          HD22      LEU  51   5.486   1.550  -2.060
  421   HD23  LEU  51          HD23      LEU  51   5.763   3.281  -2.238
  422    H    GLY  52           HN       GLY  52  10.287  -0.713  -4.589
  423    HA2  GLY  52           HA2      GLY  52   9.250  -3.391  -4.780
  424    HA3  GLY  52           HA1      GLY  52  10.895  -2.870  -5.182
  425    H    ASP  53           HN       ASP  53  11.672  -1.664  -2.988
  426    HA   ASP  53           HA       ASP  53  12.396  -3.630  -1.104
  427    HB2  ASP  53           HB2      ASP  53  12.079  -0.636  -0.653
  428    HB3  ASP  53           HB1      ASP  53  12.930  -1.754   0.400
  429    H    ARG  54           HN       ARG  54   9.859  -1.238  -1.160
  430    HA   ARG  54           HA       ARG  54   8.667  -1.991   1.261
  431    HB2  ARG  54           HB2      ARG  54   8.378   0.241   0.054
  432    HB3  ARG  54           HB1      ARG  54   7.251  -0.607  -1.003
  433    HG2  ARG  54           HG2      ARG  54   5.983   0.535   0.660
  434    HG3  ARG  54           HG1      ARG  54   5.901  -1.197   0.994
  435    HD2  ARG  54           HD2      ARG  54   7.760  -0.880   2.643
  436    HD3  ARG  54           HD1      ARG  54   7.618   0.851   2.365
  437    HE   ARG  54           HE       ARG  54   5.417  -0.793   3.401
  438   HH11  ARG  54          HH11      ARG  54   7.375   2.189   3.548
  439   HH12  ARG  54          HH12      ARG  54   6.626   2.776   4.945
  440   HH21  ARG  54          HH21      ARG  54   4.389   0.040   5.363
  441   HH22  ARG  54          HH22      ARG  54   4.927   1.517   6.026
  442    H    ILE  55           HN       ILE  55   8.519  -3.421  -1.903
  443    HA   ILE  55           HA       ILE  55   6.011  -4.732  -1.661
  444    HB   ILE  55           HB       ILE  55   8.461  -5.436  -3.332
  445   HG12  ILE  55          HG12      ILE  55   5.712  -4.514  -4.178
  446   HG13  ILE  55          HG11      ILE  55   7.120  -3.475  -4.031
  447   HG21  ILE  55          HG21      ILE  55   7.378  -7.542  -2.808
  448   HG22  ILE  55          HG22      ILE  55   7.132  -7.135  -4.508
  449   HG23  ILE  55          HG23      ILE  55   5.826  -6.898  -3.346
  450   HD11  ILE  55          HD11      ILE  55   6.770  -5.765  -5.949
  451   HD12  ILE  55          HD12      ILE  55   8.236  -4.812  -5.790
  452   HD13  ILE  55          HD13      ILE  55   6.747  -4.046  -6.343
  453    H    ALA  56           HN       ALA  56   9.296  -5.589  -0.815
  454    HA   ALA  56           HA       ALA  56   8.746  -8.140   0.254
  455    HB1  ALA  56           HB1      ALA  56  10.790  -7.856   1.573
  456    HB2  ALA  56           HB2      ALA  56  10.776  -6.127   1.216
  457    HB3  ALA  56           HB3      ALA  56  11.016  -7.293  -0.085
  458    H    GLN  57           HN       GLN  57   8.754  -4.957   1.791
  459    HA   GLN  57           HA       GLN  57   7.892  -5.796   4.363
  460    HB2  GLN  57           HB2      GLN  57   8.857  -3.520   3.773
  461    HB3  GLN  57           HB1      GLN  57   7.318  -3.127   3.042
  462    HG2  GLN  57           HG2      GLN  57   7.551  -3.868   5.945
  463    HG3  GLN  57           HG1      GLN  57   7.806  -2.221   5.385
  464   HE21  GLN  57          HE21      GLN  57   5.814  -3.254   7.215
  465   HE22  GLN  57          HE22      GLN  57   4.276  -2.909   6.541
  466    H    PHE  58           HN       PHE  58   6.169  -4.963   1.469
  467    HA   PHE  58           HA       PHE  58   3.569  -4.866   2.514
  468    HB2  PHE  58           HB2      PHE  58   4.404  -3.787   0.428
  469    HB3  PHE  58           HB1      PHE  58   4.444  -5.356  -0.332
  470    HD1  PHE  58           HD1      PHE  58   1.854  -3.786   1.835
  471    HD2  PHE  58           HD2      PHE  58   2.895  -5.274  -1.997
  472    HE1  PHE  58           HE1      PHE  58  -0.421  -3.344   1.056
  473    HE2  PHE  58           HE2      PHE  58   0.622  -4.849  -2.786
  474    HZ   PHE  58           HZ       PHE  58  -1.054  -3.878  -1.267
  475    H    TYR  59           HN       TYR  59   5.444  -7.499   1.013
  476    HA   TYR  59           HA       TYR  59   3.400  -9.414   1.000
  477    HB2  TYR  59           HB2      TYR  59   6.377  -9.686   1.329
  478    HB3  TYR  59           HB1      TYR  59   5.346 -11.088   1.566
  479    HD1  TYR  59           HD2      TYR  59   3.527 -11.332  -0.426
  480    HD2  TYR  59           HD1      TYR  59   7.345  -9.488  -0.769
  481    HE1  TYR  59           HE2      TYR  59   3.512 -11.777  -2.833
  482    HE2  TYR  59           HE1      TYR  59   7.339  -9.933  -3.189
  483    HH   TYR  59           HH       TYR  59   6.282 -11.466  -4.776
  484    H    THR  60           HN       THR  60   5.639  -8.512   3.554
  485    HA   THR  60           HA       THR  60   4.599 -10.124   5.582
  486    HB   THR  60           HB       THR  60   5.813  -7.356   5.722
  487    HG1  THR  60           HG1      THR  60   7.739  -8.363   5.726
  488   HG21  THR  60          HG21      THR  60   6.416  -7.939   8.049
  489   HG22  THR  60          HG22      THR  60   5.508  -9.448   7.899
  490   HG23  THR  60          HG23      THR  60   4.672  -7.895   7.813
  491    H    ASP  61           HN       ASP  61   3.716  -6.876   4.524
  492    HA   ASP  61           HA       ASP  61   1.891  -6.157   6.505
  493    HB2  ASP  61           HB2      ASP  61   3.087  -4.750   4.671
  494    HB3  ASP  61           HB1      ASP  61   1.716  -5.177   3.659
  495    H    LEU  62           HN       LEU  62   1.322  -7.794   3.392
  496    HA   LEU  62           HA       LEU  62  -1.525  -7.938   3.652
  497    HB2  LEU  62           HB2      LEU  62   0.428  -9.395   1.927
  498    HB3  LEU  62           HB1      LEU  62  -1.189 -10.026   2.078
  499    HG   LEU  62           HG       LEU  62  -1.035  -8.798   0.066
  500   HD11  LEU  62          HD11      LEU  62  -3.132  -8.590   1.177
  501   HD12  LEU  62          HD12      LEU  62  -2.744  -7.091   0.335
  502   HD13  LEU  62          HD13      LEU  62  -2.562  -7.193   2.084
  503   HD21  LEU  62          HD21      LEU  62  -0.468  -6.442  -0.014
  504   HD22  LEU  62          HD22      LEU  62   0.867  -7.436   0.570
  505   HD23  LEU  62          HD23      LEU  62  -0.090  -6.485   1.705
  506    H    ASN  63           HN       ASN  63   1.046 -10.186   4.504
  507    HA   ASN  63           HA       ASN  63  -0.755 -12.292   5.134
  508    HB2  ASN  63           HB2      ASN  63   2.163 -11.970   5.908
  509    HB3  ASN  63           HB1      ASN  63   1.187 -13.394   6.241
  510   HD21  ASN  63          HD21      ASN  63  -0.226 -13.491   3.702
  511   HD22  ASN  63          HD22      ASN  63   0.934 -13.936   2.530
  512    H    ILE  64           HN       ILE  64   0.390  -9.632   6.961
  513    HA   ILE  64           HA       ILE  64  -0.830 -10.771   9.366
  514    HB   ILE  64           HB       ILE  64   0.178  -8.905  10.610
  515   HG12  ILE  64          HG12      ILE  64   1.398  -8.145   7.942
  516   HG13  ILE  64          HG11      ILE  64   0.201  -7.220   8.842
  517   HG21  ILE  64          HG21      ILE  64   1.396 -10.992  10.420
  518   HG22  ILE  64          HG22      ILE  64   2.521  -9.633  10.413
  519   HG23  ILE  64          HG23      ILE  64   2.125 -10.455   8.905
  520   HD11  ILE  64          HD11      ILE  64   2.429  -6.284   9.069
  521   HD12  ILE  64          HD12      ILE  64   3.007  -7.812   9.742
  522   HD13  ILE  64          HD13      ILE  64   1.816  -6.855  10.621
  523    H    ASP  65           HN       ASP  65  -2.026  -9.259   6.856
  524    HA   ASP  65           HA       ASP  65  -3.433  -7.075   8.109
  525    HB2  ASP  65           HB2      ASP  65  -2.801  -6.957   5.734
  526    HB3  ASP  65           HB1      ASP  65  -3.825  -8.345   5.390
  527    H    GLY  66           HN       GLY  66  -5.710  -6.981   8.459
  528    HA2  GLY  66           HA2      GLY  66  -6.759  -9.648   9.033
  529    HA3  GLY  66           HA1      GLY  66  -7.191  -8.157   9.897
  530    H    ARG  67           HN       ARG  67  -7.168  -7.449   6.619
  531    HA   ARG  67           HA       ARG  67 -10.072  -7.988   6.539
  532    HB2  ARG  67           HB2      ARG  67  -8.657  -5.729   5.126
  533    HB3  ARG  67           HB1      ARG  67 -10.390  -5.975   5.268
  534    HG2  ARG  67           HG2      ARG  67 -10.248  -5.584   7.672
  535    HG3  ARG  67           HG1      ARG  67  -8.508  -5.330   7.530
  536    HD2  ARG  67           HD2      ARG  67  -9.267  -3.556   5.738
  537    HD3  ARG  67           HD1      ARG  67 -10.772  -3.605   6.659
  538    HE   ARG  67           HE       ARG  67  -8.805  -3.342   8.527
  539   HH11  ARG  67          HH11      ARG  67 -10.115  -1.368   5.886
  540   HH12  ARG  67          HH12      ARG  67  -9.250   0.021   6.327
  541   HH21  ARG  67          HH21      ARG  67  -7.645  -1.357   9.132
  542   HH22  ARG  67          HH22      ARG  67  -7.821   0.022   8.142
  543    H    PHE  68           HN       PHE  68  -7.065  -8.376   5.005
  544    HA   PHE  68           HA       PHE  68  -8.253  -9.092   2.487
  545    HB2  PHE  68           HB2      PHE  68  -5.481  -8.686   3.438
  546    HB3  PHE  68           HB1      PHE  68  -5.726  -9.796   2.097
  547    HD1  PHE  68           HD1      PHE  68  -6.795  -8.975   0.051
  548    HD2  PHE  68           HD2      PHE  68  -5.546  -6.363   3.137
  549    HE1  PHE  68           HE1      PHE  68  -6.810  -7.121  -1.537
  550    HE2  PHE  68           HE2      PHE  68  -5.568  -4.486   1.545
  551    HZ   PHE  68           HZ       PHE  68  -6.210  -4.891  -0.807
  552    H    LEU  69           HN       LEU  69  -7.731 -10.901   1.372
  553    HA   LEU  69           HA       LEU  69  -7.061 -13.347   2.770
  554    HB2  LEU  69           HB2      LEU  69  -9.502 -13.232   2.768
  555    HB3  LEU  69           HB1      LEU  69  -9.492 -12.814   1.070
  556    HG   LEU  69           HG       LEU  69  -8.409 -15.066   0.649
  557   HD11  LEU  69          HD11      LEU  69  -9.303 -15.594   3.459
  558   HD12  LEU  69          HD12      LEU  69  -7.643 -15.532   2.879
  559   HD13  LEU  69          HD13      LEU  69  -8.730 -16.802   2.310
  560   HD21  LEU  69          HD21      LEU  69 -10.545 -16.273   0.782
  561   HD22  LEU  69          HD22      LEU  69 -10.696 -14.639   0.116
  562   HD23  LEU  69          HD23      LEU  69 -11.181 -14.954   1.775
  563    H    ALA  70           HN       ALA  70  -5.884 -14.635   1.322
  564    HA   ALA  70           HA       ALA  70  -5.385 -13.487  -1.276
  565    HB1  ALA  70           HB1      ALA  70  -4.279 -16.026  -0.053
  566    HB2  ALA  70           HB2      ALA  70  -3.433 -14.471  -0.161
  567    HB3  ALA  70           HB3      ALA  70  -3.845 -15.375  -1.624
  568    H    LEU  71           HN       LEU  71  -7.000 -13.735  -2.621
  569    HA   LEU  71           HA       LEU  71  -8.593 -16.032  -2.937
  570    HB2  LEU  71           HB2      LEU  71  -7.624 -13.956  -4.971
  571    HB3  LEU  71           HB1      LEU  71  -8.917 -15.120  -5.279
  572    HG   LEU  71           HG       LEU  71  -9.011 -12.976  -3.152
  573   HD11  LEU  71          HD11      LEU  71 -10.009 -12.914  -5.985
  574   HD12  LEU  71          HD12      LEU  71  -8.684 -11.943  -5.332
  575   HD13  LEU  71          HD13      LEU  71 -10.332 -11.693  -4.756
  576   HD21  LEU  71          HD21      LEU  71 -11.386 -13.283  -3.337
  577   HD22  LEU  71          HD22      LEU  71 -10.622 -14.830  -2.917
  578   HD23  LEU  71          HD23      LEU  71 -11.160 -14.501  -4.582
  579    H    SER  72           HN       SER  72  -8.115 -17.881  -4.326
  580    HA   SER  72           HA       SER  72  -5.725 -18.969  -3.650
  581    HB2  SER  72           HB2      SER  72  -7.555 -19.884  -5.838
  582    HB3  SER  72           HB1      SER  72  -6.361 -20.870  -4.980
  583    HG   SER  72           HG       SER  72  -8.562 -20.958  -4.134
  584    H    ASP  73           HN       ASP  73  -5.973 -16.915  -6.347
  585    HA   ASP  73           HA       ASP  73  -3.532 -18.059  -7.473
  586    HB2  ASP  73           HB2      ASP  73  -5.448 -16.030  -8.584
  587    HB3  ASP  73           HB1      ASP  73  -3.869 -16.277  -9.308
  588    H    GLN  74           HN       GLN  74  -3.791 -16.380  -4.992
  589    HA   GLN  74           HA       GLN  74  -2.486 -14.962  -3.807
  590    HB2  GLN  74           HB2      GLN  74  -0.678 -15.092  -6.235
  591    HB3  GLN  74           HB1      GLN  74  -0.291 -14.093  -4.848
  592    HG2  GLN  74           HG2      GLN  74   0.933 -16.227  -4.845
  593    HG3  GLN  74           HG1      GLN  74  -0.116 -16.067  -3.442
  594   HE21  GLN  74          HE21      GLN  74  -1.823 -17.449  -3.201
  595   HE22  GLN  74          HE22      GLN  74  -2.102 -18.810  -4.211
  596    H    THR  75           HN       THR  75  -4.433 -14.355  -5.789
  597    HA   THR  75           HA       THR  75  -4.071 -11.565  -6.398
  598    HB   THR  75           HB       THR  75  -6.439 -13.458  -6.630
  599    HG1  THR  75           HG1      THR  75  -4.173 -13.154  -8.064
  600   HG21  THR  75          HG21      THR  75  -7.360 -11.814  -8.206
  601   HG22  THR  75          HG22      THR  75  -5.972 -10.762  -7.929
  602   HG23  THR  75          HG23      THR  75  -7.112 -11.075  -6.623
  603    H    TRP  76           HN       TRP  76  -4.774 -10.005  -4.929
  604    HA   TRP  76           HA       TRP  76  -5.718 -11.166  -2.457
  605    HB2  TRP  76           HB2      TRP  76  -4.348  -8.544  -3.021
  606    HB3  TRP  76           HB1      TRP  76  -5.034  -8.957  -1.454
  607    HD1  TRP  76           HD1      TRP  76  -2.069  -9.743  -3.711
  608    HE1  TRP  76           HE1      TRP  76  -0.363 -11.153  -2.394
  609    HE3  TRP  76           HE3      TRP  76  -4.866 -10.702   0.440
  610    HZ2  TRP  76           HZ2      TRP  76  -0.226 -12.501   0.138
  611    HZ3  TRP  76           HZ3      TRP  76  -3.888 -12.047   2.248
  612    HH2  TRP  76           HH2      TRP  76  -1.613 -12.924   2.083
  613    H    GLY  77           HN       GLY  77  -7.519 -10.687  -1.494
  614    HA2  GLY  77           HA2      GLY  77  -9.171  -8.618  -2.661
  615    HA3  GLY  77           HA1      GLY  77  -9.795 -10.265  -2.623
  616    H    LEU  78           HN       LEU  78 -11.175  -8.448  -1.403
  617    HA   LEU  78           HA       LEU  78 -10.348  -8.342   1.375
  618    HB2  LEU  78           HB2      LEU  78 -12.530  -6.875  -0.071
  619    HB3  LEU  78           HB1      LEU  78 -12.217  -6.734   1.648
  620    HG   LEU  78           HG       LEU  78 -10.302  -5.962  -0.554
  621   HD11  LEU  78          HD11      LEU  78 -10.722  -3.684   0.201
  622   HD12  LEU  78          HD12      LEU  78 -11.921  -4.284   1.348
  623   HD13  LEU  78          HD13      LEU  78 -12.192  -4.459  -0.388
  624   HD21  LEU  78          HD21      LEU  78  -9.129  -6.762   1.424
  625   HD22  LEU  78          HD22      LEU  78 -10.081  -5.685   2.444
  626   HD23  LEU  78          HD23      LEU  78  -8.955  -5.015   1.261
  627    H    ARG  79           HN       ARG  79 -11.247  -9.275   2.926
  628    HA   ARG  79           HA       ARG  79 -12.809 -11.519   2.571
  629    HB2  ARG  79           HB2      ARG  79 -11.940  -9.968   4.947
  630    HB3  ARG  79           HB1      ARG  79 -12.935 -11.396   5.098
  631    HG2  ARG  79           HG2      ARG  79 -11.225 -12.711   3.959
  632    HG3  ARG  79           HG1      ARG  79 -10.247 -11.251   3.823
  633    HD2  ARG  79           HD2      ARG  79  -9.788 -12.826   5.648
  634    HD3  ARG  79           HD1      ARG  79  -9.916 -11.115   6.128
  635    HE   ARG  79           HE       ARG  79 -12.289 -12.821   6.382
  636   HH11  ARG  79          HH11      ARG  79  -9.532 -11.339   8.105
  637   HH12  ARG  79          HH12      ARG  79 -10.287 -11.439   9.620
  638   HH21  ARG  79          HH21      ARG  79 -13.288 -12.897   8.419
  639   HH22  ARG  79          HH22      ARG  79 -12.496 -12.333   9.822
  640    H    SER  80           HN       SER  80 -13.780  -8.244   3.120
  641    HA   SER  80           HA       SER  80 -16.274  -8.875   4.274
  642    HB2  SER  80           HB2      SER  80 -16.665  -6.414   3.727
  643    HB3  SER  80           HB1      SER  80 -15.332  -6.793   4.822
  644    HG   SER  80           HG       SER  80 -15.215  -5.419   2.636
  645    H    TRP  81           HN       TRP  81 -15.084  -9.107   1.140
  646    HA   TRP  81           HA       TRP  81 -17.415  -8.295  -0.302
  647    HB2  TRP  81           HB2      TRP  81 -15.038  -9.899  -1.130
  648    HB3  TRP  81           HB1      TRP  81 -16.371  -9.513  -2.198
  649    HD1  TRP  81           HD1      TRP  81 -16.432  -6.371  -0.901
  650    HE1  TRP  81           HE1      TRP  81 -14.729  -4.767  -1.951
  651    HE3  TRP  81           HE3      TRP  81 -13.214  -9.873  -2.860
  652    HZ2  TRP  81           HZ2      TRP  81 -12.354  -4.992  -3.476
  653    HZ3  TRP  81           HZ3      TRP  81 -11.280  -9.078  -4.114
  654    HH2  TRP  81           HH2      TRP  81 -10.843  -6.716  -4.411
  655    H    TYR  82           HN       TYR  82 -16.074 -11.510   0.611
  656    HA   TYR  82           HA       TYR  82 -18.432 -12.556  -0.794
  657    HB2  TYR  82           HB2      TYR  82 -15.903 -14.093  -0.348
  658    HB3  TYR  82           HB1      TYR  82 -17.213 -14.466  -1.438
  659    HD1  TYR  82           HD1      TYR  82 -17.383 -13.233  -3.618
  660    HD2  TYR  82           HD2      TYR  82 -14.107 -12.628  -0.984
  661    HE1  TYR  82           HE1      TYR  82 -16.057 -12.291  -5.463
  662    HE2  TYR  82           HE2      TYR  82 -12.791 -11.728  -2.766
  663    HH   TYR  82           HH       TYR  82 -12.709 -11.819  -5.230
  Start of MODEL   13
    1    H1   GLY   2           HT1      GLY   2 -11.948   7.692  -5.369
    2    H2   GLY   2           HT2      GLY   2 -13.059   6.654  -4.582
    3    H3   GLY   2           HT3      GLY   2 -11.560   6.083  -5.157
    4    HA2  GLY   2           HA1      GLY   2 -11.752   8.128  -3.091
    5    HA3  GLY   2           HA2      GLY   2 -11.646   6.405  -2.754
    6    H    ILE   3           HN       ILE   3  -9.817   5.349  -3.081
    7    HA   ILE   3           HA       ILE   3  -7.486   6.435  -2.367
    8    HB   ILE   3           HB       ILE   3  -8.024   4.050  -2.324
    9   HG12  ILE   3          HG12      ILE   3  -5.808   3.130  -2.772
   10   HG13  ILE   3          HG11      ILE   3  -5.337   4.545  -3.685
   11   HG21  ILE   3          HG21      ILE   3  -7.599   2.624  -4.246
   12   HG22  ILE   3          HG22      ILE   3  -7.422   4.060  -5.257
   13   HG23  ILE   3          HG23      ILE   3  -8.969   3.710  -4.480
   14   HD11  ILE   3          HD11      ILE   3  -5.587   5.884  -1.647
   15   HD12  ILE   3          HD12      ILE   3  -4.421   4.582  -1.460
   16   HD13  ILE   3          HD13      ILE   3  -6.029   4.431  -0.756
   17    H    LYS   4           HN       LYS   4  -8.459   6.154  -5.813
   18    HA   LYS   4           HA       LYS   4  -5.790   6.833  -6.558
   19    HB2  LYS   4           HB2      LYS   4  -6.541   6.940  -8.900
   20    HB3  LYS   4           HB1      LYS   4  -6.870   5.420  -8.099
   21    HG2  LYS   4           HG2      LYS   4  -9.169   5.831  -8.039
   22    HG3  LYS   4           HG1      LYS   4  -8.952   7.553  -8.385
   23    HD2  LYS   4           HD2      LYS   4  -8.170   7.072 -10.597
   24    HD3  LYS   4           HD1      LYS   4  -8.175   5.341 -10.275
   25    HE2  LYS   4           HE2      LYS   4 -10.644   7.030 -10.114
   26    HE3  LYS   4           HE1      LYS   4 -10.100   6.304 -11.623
   27    HZ1  LYS   4           HZ1      LYS   4 -10.322   4.155 -10.692
   28    HZ2  LYS   4           HZ2      LYS   4 -11.751   5.006 -10.452
   29    HZ3  LYS   4           HZ3      LYS   4 -10.688   4.741  -9.143
   30    H    GLN   5           HN       GLN   5  -8.197   8.842  -5.465
   31    HA   GLN   5           HA       GLN   5  -7.017  11.006  -7.030
   32    HB2  GLN   5           HB2      GLN   5  -8.899  12.454  -6.378
   33    HB3  GLN   5           HB1      GLN   5  -9.451  11.002  -7.182
   34    HG2  GLN   5           HG2      GLN   5 -10.086  10.071  -4.989
   35    HG3  GLN   5           HG1      GLN   5  -9.568  11.576  -4.228
   36   HE21  GLN   5          HE21      GLN   5 -11.966  10.078  -6.247
   37   HE22  GLN   5          HE22      GLN   5 -13.097  11.366  -6.200
   38    H    TYR   6           HN       TYR   6  -6.022   9.535  -4.584
   39    HA   TYR   6           HA       TYR   6  -5.590  11.757  -2.731
   40    HB2  TYR   6           HB2      TYR   6  -4.589   8.897  -2.640
   41    HB3  TYR   6           HB1      TYR   6  -4.377  10.091  -1.380
   42    HD1  TYR   6           HD2      TYR   6  -7.613  10.704  -2.397
   43    HD2  TYR   6           HD1      TYR   6  -5.322   7.725  -0.459
   44    HE1  TYR   6           HE2      TYR   6  -9.662   9.828  -1.326
   45    HE2  TYR   6           HE1      TYR   6  -7.362   6.842   0.617
   46    HH   TYR   6           HH       TYR   6  -9.557   7.673   1.236
   47    H    SER   7           HN       SER   7  -3.367  12.294  -2.141
   48    HA   SER   7           HA       SER   7  -1.501  11.952  -4.376
   49    HB2  SER   7           HB2      SER   7  -2.096  14.297  -3.941
   50    HB3  SER   7           HB1      SER   7  -1.647  14.116  -2.248
   51    HG   SER   7           HG       SER   7  -0.086  15.034  -3.946
   52    H    GLN   8           HN       GLN   8   0.854  12.162  -3.510
   53    HA   GLN   8           HA       GLN   8   1.424   9.876  -1.976
   54    HB2  GLN   8           HB2      GLN   8   3.762  10.693  -1.905
   55    HB3  GLN   8           HB1      GLN   8   3.082  10.672  -3.522
   56    HG2  GLN   8           HG2      GLN   8   2.768  13.000  -3.501
   57    HG3  GLN   8           HG1      GLN   8   3.225  13.127  -1.801
   58   HE21  GLN   8          HE21      GLN   8   4.414  14.446  -4.082
   59   HE22  GLN   8          HE22      GLN   8   6.075  13.970  -4.093
   60    H    GLU   9           HN       GLU   9   1.095  13.230  -1.093
   61    HA   GLU   9           HA       GLU   9   2.241  13.373   1.441
   62    HB2  GLU   9           HB2      GLU   9  -0.315  14.648   0.491
   63    HB3  GLU   9           HB1      GLU   9   0.647  15.175   1.863
   64    HG2  GLU   9           HG2      GLU   9   1.558  15.139  -0.997
   65    HG3  GLU   9           HG1      GLU   9   0.978  16.550  -0.117
   66    H    GLU  10           HN       GLU  10  -0.811  12.277   0.418
   67    HA   GLU  10           HA       GLU  10  -1.943  11.702   2.976
   68    HB2  GLU  10           HB2      GLU  10  -3.221  12.411   0.992
   69    HB3  GLU  10           HB1      GLU  10  -2.622  10.979   0.164
   70    HG2  GLU  10           HG2      GLU  10  -4.183   9.663   1.121
   71    HG3  GLU  10           HG1      GLU  10  -4.075  10.500   2.676
   72    H    LEU  11           HN       LEU  11  -0.861   9.838   0.214
   73    HA   LEU  11           HA       LEU  11  -1.405   7.302   1.236
   74    HB2  LEU  11           HB2      LEU  11   0.466   8.147  -0.942
   75    HB3  LEU  11           HB1      LEU  11  -0.088   6.503  -0.665
   76    HG   LEU  11           HG       LEU  11  -1.956   8.796  -1.240
   77   HD11  LEU  11          HD11      LEU  11  -0.821   6.761  -3.134
   78   HD12  LEU  11          HD12      LEU  11  -0.492   8.498  -3.119
   79   HD13  LEU  11          HD13      LEU  11  -2.111   7.913  -3.493
   80   HD21  LEU  11          HD21      LEU  11  -2.305   5.812  -1.287
   81   HD22  LEU  11          HD22      LEU  11  -3.514   6.996  -1.773
   82   HD23  LEU  11          HD23      LEU  11  -2.980   6.925  -0.095
   83    H    LYS  12           HN       LYS  12   1.492   9.263   1.588
   84    HA   LYS  12           HA       LYS  12   2.986   6.992   2.482
   85    HB2  LYS  12           HB2      LYS  12   4.840   8.545   2.961
   86    HB3  LYS  12           HB1      LYS  12   4.231   8.725   1.329
   87    HG2  LYS  12           HG2      LYS  12   2.986  10.732   2.067
   88    HG3  LYS  12           HG1      LYS  12   3.715  10.555   3.664
   89    HD2  LYS  12           HD2      LYS  12   5.942  10.839   2.708
   90    HD3  LYS  12           HD1      LYS  12   5.253  10.932   1.084
   91    HE2  LYS  12           HE2      LYS  12   4.071  12.940   1.655
   92    HE3  LYS  12           HE1      LYS  12   4.613  12.838   3.329
   93    HZ1  LYS  12           HZ1      LYS  12   6.206  13.458   0.905
   94    HZ2  LYS  12           HZ2      LYS  12   6.921  13.066   2.365
   95    HZ3  LYS  12           HZ3      LYS  12   5.949  14.433   2.261
   96    H    GLU  13           HN       GLU  13   0.603   8.716   3.992
   97    HA   GLU  13           HA       GLU  13   1.778   8.446   6.659
   98    HB2  GLU  13           HB2      GLU  13  -1.008   9.290   5.858
   99    HB3  GLU  13           HB1      GLU  13  -0.375   9.289   7.487
  100    HG2  GLU  13           HG2      GLU  13   1.327  10.981   6.653
  101    HG3  GLU  13           HG1      GLU  13   0.323  11.091   5.208
  102    H    MET  14           HN       MET  14   0.240   6.527   4.444
  103    HA   MET  14           HA       MET  14  -1.496   5.142   6.323
  104    HB2  MET  14           HB2      MET  14  -1.026   4.669   3.385
  105    HB3  MET  14           HB1      MET  14  -2.175   3.794   4.377
  106    HG2  MET  14           HG2      MET  14  -3.386   5.894   4.761
  107    HG3  MET  14           HG1      MET  14  -2.250   6.719   3.690
  108    HE1  MET  14           HE1      MET  14  -4.133   7.597   2.083
  109    HE2  MET  14           HE2      MET  14  -5.328   6.908   3.178
  110    HE3  MET  14           HE3      MET  14  -5.428   6.587   1.446
  111    H    ALA  15           HN       ALA  15  -1.495   2.786   6.188
  112    HA   ALA  15           HA       ALA  15   1.169   1.643   6.344
  113    HB1  ALA  15           HB1      ALA  15  -0.445   1.021   8.072
  114    HB2  ALA  15           HB2      ALA  15  -0.078  -0.390   7.075
  115    HB3  ALA  15           HB3      ALA  15  -1.587   0.488   6.841
  116    H    LEU  16           HN       LEU  16   1.567  -0.336   5.069
  117    HA   LEU  16           HA       LEU  16   1.152   0.155   2.324
  118    HB2  LEU  16           HB2      LEU  16   2.056  -2.370   3.695
  119    HB3  LEU  16           HB1      LEU  16   2.199  -2.048   1.976
  120    HG   LEU  16           HG       LEU  16   3.609  -0.596   4.207
  121   HD11  LEU  16          HD11      LEU  16   4.589  -2.749   3.661
  122   HD12  LEU  16          HD12      LEU  16   5.625  -1.427   3.120
  123   HD13  LEU  16          HD13      LEU  16   4.639  -2.305   1.957
  124   HD21  LEU  16          HD21      LEU  16   4.670   0.672   2.374
  125   HD22  LEU  16          HD22      LEU  16   2.926   0.933   2.606
  126   HD23  LEU  16          HD23      LEU  16   3.479  -0.096   1.282
  127    H    VAL  17           HN       VAL  17  -0.125  -2.375   4.345
  128    HA   VAL  17           HA       VAL  17  -1.862  -3.437   2.453
  129    HB   VAL  17           HB       VAL  17  -1.008  -4.500   4.426
  130   HG11  VAL  17          HG11      VAL  17  -2.939  -2.769   5.979
  131   HG12  VAL  17          HG12      VAL  17  -1.181  -2.735   6.044
  132   HG13  VAL  17          HG13      VAL  17  -2.055  -4.142   6.665
  133   HG21  VAL  17          HG21      VAL  17  -4.024  -4.494   4.360
  134   HG22  VAL  17          HG22      VAL  17  -3.023  -5.780   5.042
  135   HG23  VAL  17          HG23      VAL  17  -2.988  -5.449   3.315
  136    H    GLU  18           HN       GLU  18  -2.156  -0.637   4.436
  137    HA   GLU  18           HA       GLU  18  -5.008  -0.519   4.437
  138    HB2  GLU  18           HB2      GLU  18  -3.747   0.547   6.217
  139    HB3  GLU  18           HB1      GLU  18  -2.941   1.591   5.058
  140    HG2  GLU  18           HG2      GLU  18  -4.995   2.734   4.588
  141    HG3  GLU  18           HG1      GLU  18  -5.895   1.597   5.591
  142    H    ILE  19           HN       ILE  19  -2.441   0.886   2.519
  143    HA   ILE  19           HA       ILE  19  -4.024   2.537   0.869
  144    HB   ILE  19           HB       ILE  19  -1.491   1.036   0.094
  145   HG12  ILE  19          HG12      ILE  19  -1.777   3.833   1.224
  146   HG13  ILE  19          HG11      ILE  19  -1.204   2.437   2.128
  147   HG21  ILE  19          HG21      ILE  19  -2.752   3.519  -1.064
  148   HG22  ILE  19          HG22      ILE  19  -2.704   1.922  -1.817
  149   HG23  ILE  19          HG23      ILE  19  -1.206   2.824  -1.556
  150   HD11  ILE  19          HD11      ILE  19   0.137   3.674  -0.270
  151   HD12  ILE  19          HD12      ILE  19   0.716   2.264   0.616
  152   HD13  ILE  19          HD13      ILE  19   0.644   3.837   1.413
  153    H    ALA  20           HN       ALA  20  -2.861  -0.743   0.492
  154    HA   ALA  20           HA       ALA  20  -4.099  -1.463  -1.898
  155    HB1  ALA  20           HB1      ALA  20  -3.517  -3.271   0.442
  156    HB2  ALA  20           HB2      ALA  20  -2.347  -2.780  -0.776
  157    HB3  ALA  20           HB3      ALA  20  -3.732  -3.766  -1.239
  158    H    HIS  21           HN       HIS  21  -5.306  -1.751   1.434
  159    HA   HIS  21           HA       HIS  21  -7.737  -2.978   1.047
  160    HB2  HIS  21           HB2      HIS  21  -6.815  -2.410   3.259
  161    HB3  HIS  21           HB1      HIS  21  -7.058  -0.696   2.921
  162    HD1  HIS  21           HD1      HIS  21  -9.420   0.270   3.329
  163    HD2  HIS  21           HD2      HIS  21  -9.167  -3.856   3.875
  164    HE1  HIS  21           HE1      HIS  21 -11.545  -0.402   4.423
  165    HE2  HIS  21           HE2      HIS  21 -11.477  -2.910   4.477
  166    H    GLU  22           HN       GLU  22  -6.910   0.440   0.654
  167    HA   GLU  22           HA       GLU  22  -9.559   1.253   0.150
  168    HB2  GLU  22           HB2      GLU  22  -6.988   2.649  -0.526
  169    HB3  GLU  22           HB1      GLU  22  -8.589   3.382  -0.523
  170    HG2  GLU  22           HG2      GLU  22  -7.082   2.305   1.842
  171    HG3  GLU  22           HG1      GLU  22  -7.455   3.992   1.491
  172    H    LEU  23           HN       LEU  23  -6.950   0.181  -1.980
  173    HA   LEU  23           HA       LEU  23  -8.136   0.791  -4.477
  174    HB2  LEU  23           HB2      LEU  23  -6.394  -1.523  -3.645
  175    HB3  LEU  23           HB1      LEU  23  -7.140  -1.520  -5.217
  176    HG   LEU  23           HG       LEU  23  -4.877  -0.851  -5.431
  177   HD11  LEU  23          HD11      LEU  23  -6.389   0.253  -6.914
  178   HD12  LEU  23          HD12      LEU  23  -5.044   1.311  -6.496
  179   HD13  LEU  23          HD13      LEU  23  -6.622   1.565  -5.759
  180   HD21  LEU  23          HD21      LEU  23  -4.420  -0.116  -3.208
  181   HD22  LEU  23          HD22      LEU  23  -5.463   1.289  -3.423
  182   HD23  LEU  23          HD23      LEU  23  -3.966   1.140  -4.368
  183    H    PHE  24           HN       PHE  24  -8.627  -1.913  -2.341
  184    HA   PHE  24           HA       PHE  24 -10.471  -3.089  -4.149
  185    HB2  PHE  24           HB2      PHE  24  -9.705  -3.843  -1.348
  186    HB3  PHE  24           HB1      PHE  24 -10.800  -4.802  -2.351
  187    HD1  PHE  24           HD2      PHE  24  -9.935  -5.202  -4.783
  188    HD2  PHE  24           HD1      PHE  24  -7.474  -4.375  -1.447
  189    HE1  PHE  24           HE2      PHE  24  -8.035  -6.157  -5.964
  190    HE2  PHE  24           HE1      PHE  24  -5.542  -5.319  -2.641
  191    HZ   PHE  24           HZ       PHE  24  -5.834  -6.219  -4.909
  192    H    GLU  25           HN       GLU  25 -10.851  -1.070  -1.354
  193    HA   GLU  25           HA       GLU  25 -13.657  -1.369  -1.167
  194    HB2  GLU  25           HB2      GLU  25 -11.845   0.903  -0.352
  195    HB3  GLU  25           HB1      GLU  25 -13.562   0.857   0.013
  196    HG2  GLU  25           HG2      GLU  25 -11.575  -1.223   0.896
  197    HG3  GLU  25           HG1      GLU  25 -12.108   0.133   1.883
  198    H    GLU  26           HN       GLU  26 -11.611   0.773  -3.068
  199    HA   GLU  26           HA       GLU  26 -13.805   2.293  -4.123
  200    HB2  GLU  26           HB2      GLU  26 -11.509   3.208  -3.971
  201    HB3  GLU  26           HB1      GLU  26 -10.982   2.045  -5.179
  202    HG2  GLU  26           HG2      GLU  26 -12.757   3.072  -6.696
  203    HG3  GLU  26           HG1      GLU  26 -12.848   4.367  -5.515
  204    H    HIS  27           HN       HIS  27 -11.797  -0.360  -5.316
  205    HA   HIS  27           HA       HIS  27 -12.998  -0.268  -7.935
  206    HB2  HIS  27           HB2      HIS  27 -11.035  -2.256  -6.772
  207    HB3  HIS  27           HB1      HIS  27 -11.619  -2.310  -8.424
  208    HD1  HIS  27           HD1      HIS  27  -9.092  -2.028  -9.213
  209    HD2  HIS  27           HD2      HIS  27 -10.626   1.219  -7.116
  210    HE1  HIS  27           HE1      HIS  27  -7.401  -0.213  -9.441
  211    HE2  HIS  27           HE2      HIS  27  -8.437   1.789  -8.374
  212    H    LYS  28           HN       LYS  28 -13.424  -2.272  -5.045
  213    HA   LYS  28           HA       LYS  28 -14.945  -3.819  -4.439
  214    HB2  LYS  28           HB2      LYS  28 -16.504  -2.910  -6.882
  215    HB3  LYS  28           HB1      LYS  28 -17.148  -3.883  -5.575
  216    HG2  LYS  28           HG2      LYS  28 -16.113  -1.069  -5.257
  217    HG3  LYS  28           HG1      LYS  28 -17.803  -1.482  -5.513
  218    HD2  LYS  28           HD2      LYS  28 -16.121  -2.404  -3.172
  219    HD3  LYS  28           HD1      LYS  28 -17.243  -1.047  -3.137
  220    HE2  LYS  28           HE2      LYS  28 -19.056  -2.680  -3.810
  221    HE3  LYS  28           HE1      LYS  28 -17.887  -3.967  -3.535
  222    HZ1  LYS  28           HZ1      LYS  28 -19.260  -3.638  -1.574
  223    HZ2  LYS  28           HZ2      LYS  28 -18.840  -2.010  -1.533
  224    HZ3  LYS  28           HZ3      LYS  28 -17.671  -3.156  -1.221
  225    H    LYS  29           HN       LYS  29 -12.863  -4.294  -6.586
  226    HA   LYS  29           HA       LYS  29 -13.812  -6.876  -7.569
  227    HB2  LYS  29           HB2      LYS  29 -12.320  -4.763  -9.132
  228    HB3  LYS  29           HB1      LYS  29 -12.598  -6.397  -9.697
  229    HG2  LYS  29           HG2      LYS  29 -14.957  -6.030  -9.843
  230    HG3  LYS  29           HG1      LYS  29 -14.816  -4.465  -9.044
  231    HD2  LYS  29           HD2      LYS  29 -13.530  -5.135 -11.690
  232    HD3  LYS  29           HD1      LYS  29 -15.094  -4.337 -11.543
  233    HE2  LYS  29           HE2      LYS  29 -14.041  -2.497 -10.310
  234    HE3  LYS  29           HE1      LYS  29 -12.479  -3.289 -10.430
  235    HZ1  LYS  29           HZ1      LYS  29 -12.681  -1.577 -12.053
  236    HZ2  LYS  29           HZ2      LYS  29 -14.090  -2.221 -12.683
  237    HZ3  LYS  29           HZ3      LYS  29 -12.623  -3.048 -12.856
  238    HA   PRO  30           HA       PRO  30  -9.741  -7.955  -5.957
  239    HB2  PRO  30           HB2      PRO  30  -9.707 -10.304  -7.698
  240    HB3  PRO  30           HB1      PRO  30  -9.864 -10.241  -5.941
  241    HG2  PRO  30           HG2      PRO  30 -11.886 -10.988  -7.564
  242    HG3  PRO  30           HG1      PRO  30 -12.162 -10.148  -6.028
  243    HD2  PRO  30           HD2      PRO  30 -12.155  -9.055  -8.818
  244    HD3  PRO  30           HD1      PRO  30 -13.277  -8.725  -7.478
  245    H    VAL  31           HN       VAL  31  -7.592  -7.814  -6.568
  246    HA   VAL  31           HA       VAL  31  -6.956  -7.478  -9.418
  247    HB   VAL  31           HB       VAL  31  -6.056  -5.566  -7.215
  248   HG11  VAL  31          HG11      VAL  31  -5.079  -4.216  -9.004
  249   HG12  VAL  31          HG12      VAL  31  -5.545  -5.443 -10.181
  250   HG13  VAL  31          HG13      VAL  31  -4.362  -5.825  -8.931
  251   HG21  VAL  31          HG21      VAL  31  -7.968  -5.044  -9.491
  252   HG22  VAL  31          HG22      VAL  31  -7.397  -3.846  -8.329
  253   HG23  VAL  31          HG23      VAL  31  -8.410  -5.184  -7.791
  254    HA   PRO  32           HA       PRO  32  -3.510 -10.178  -8.154
  255    HB2  PRO  32           HB2      PRO  32  -2.152  -8.898 -10.460
  256    HB3  PRO  32           HB1      PRO  32  -2.400 -10.614 -10.125
  257    HG2  PRO  32           HG2      PRO  32  -3.811  -9.413 -12.022
  258    HG3  PRO  32           HG1      PRO  32  -4.569 -10.599 -10.946
  259    HD2  PRO  32           HD2      PRO  32  -4.746  -7.614 -10.886
  260    HD3  PRO  32           HD1      PRO  32  -6.000  -8.843 -10.608
  261    H    PHE  33           HN       PHE  33  -1.667  -9.944  -7.058
  262    HA   PHE  33           HA       PHE  33  -1.250  -7.705  -5.532
  263    HB2  PHE  33           HB2      PHE  33  -0.485  -9.984  -4.981
  264    HB3  PHE  33           HB1      PHE  33   0.794  -9.818  -6.188
  265    HD1  PHE  33           HD2      PHE  33  -0.423  -8.720  -2.911
  266    HD2  PHE  33           HD1      PHE  33   2.748  -8.542  -5.730
  267    HE1  PHE  33           HE2      PHE  33   1.038  -7.750  -1.194
  268    HE2  PHE  33           HE1      PHE  33   4.208  -7.586  -4.046
  269    HZ   PHE  33           HZ       PHE  33   3.367  -7.170  -1.756
  270    H    GLN  34           HN       GLN  34   0.569  -8.630  -8.407
  271    HA   GLN  34           HA       GLN  34   2.455  -6.516  -8.094
  272    HB2  GLN  34           HB2      GLN  34   1.886  -8.373 -10.385
  273    HB3  GLN  34           HB1      GLN  34   3.121  -7.126 -10.471
  274    HG2  GLN  34           HG2      GLN  34   3.122  -9.148  -8.264
  275    HG3  GLN  34           HG1      GLN  34   3.805  -9.529  -9.838
  276   HE21  GLN  34          HE21      GLN  34   4.063  -6.267  -8.490
  277   HE22  GLN  34          HE22      GLN  34   5.760  -6.386  -8.197
  278    H    GLU  35           HN       GLU  35  -0.511  -6.889  -9.805
  279    HA   GLU  35           HA       GLU  35  -0.213  -4.623 -11.480
  280    HB2  GLU  35           HB2      GLU  35  -2.746  -6.006 -10.597
  281    HB3  GLU  35           HB1      GLU  35  -2.585  -4.918 -11.964
  282    HG2  GLU  35           HG2      GLU  35  -1.234  -7.591 -11.690
  283    HG3  GLU  35           HG1      GLU  35  -2.683  -7.278 -12.642
  284    H    LEU  36           HN       LEU  36  -1.718  -5.248  -8.341
  285    HA   LEU  36           HA       LEU  36  -2.770  -2.640  -8.128
  286    HB2  LEU  36           HB2      LEU  36  -3.395  -3.172  -5.846
  287    HB3  LEU  36           HB1      LEU  36  -3.770  -4.515  -6.890
  288    HG   LEU  36           HG       LEU  36  -1.458  -5.431  -5.971
  289   HD11  LEU  36          HD11      LEU  36  -1.066  -4.822  -3.661
  290   HD12  LEU  36          HD12      LEU  36  -2.379  -3.650  -3.736
  291   HD13  LEU  36          HD13      LEU  36  -0.933  -3.406  -4.711
  292   HD21  LEU  36          HD21      LEU  36  -3.618  -6.533  -5.714
  293   HD22  LEU  36          HD22      LEU  36  -4.003  -5.450  -4.370
  294   HD23  LEU  36          HD23      LEU  36  -2.685  -6.606  -4.218
  295    H    LEU  37           HN       LEU  37   0.346  -4.018  -7.222
  296    HA   LEU  37           HA       LEU  37   1.219  -1.818  -5.699
  297    HB2  LEU  37           HB2      LEU  37   2.517  -4.124  -6.986
  298    HB3  LEU  37           HB1      LEU  37   3.540  -2.714  -6.822
  299    HG   LEU  37           HG       LEU  37   3.905  -4.237  -4.995
  300   HD11  LEU  37          HD11      LEU  37   2.428  -1.779  -4.060
  301   HD12  LEU  37          HD12      LEU  37   4.124  -1.868  -4.527
  302   HD13  LEU  37          HD13      LEU  37   3.557  -2.742  -3.106
  303   HD21  LEU  37          HD21      LEU  37   2.178  -4.751  -3.356
  304   HD22  LEU  37          HD22      LEU  37   1.728  -5.341  -4.958
  305   HD23  LEU  37          HD23      LEU  37   1.002  -3.865  -4.320
  306    H    ASN  38           HN       ASN  38   1.176  -2.458  -9.116
  307    HA   ASN  38           HA       ASN  38   2.721  -0.198  -9.827
  308    HB2  ASN  38           HB2      ASN  38   0.854  -1.960 -11.380
  309    HB3  ASN  38           HB1      ASN  38   1.547  -0.518 -12.119
  310   HD21  ASN  38          HD21      ASN  38   1.931  -3.425 -12.574
  311   HD22  ASN  38          HD22      ASN  38   3.630  -3.683 -12.552
  312    H    GLU  39           HN       GLU  39  -0.708  -0.650  -9.259
  313    HA   GLU  39           HA       GLU  39  -1.413   1.976 -10.074
  314    HB2  GLU  39           HB2      GLU  39  -2.830   0.151  -8.112
  315    HB3  GLU  39           HB1      GLU  39  -3.498   1.635  -8.776
  316    HG2  GLU  39           HG2      GLU  39  -3.210   0.618 -11.036
  317    HG3  GLU  39           HG1      GLU  39  -2.864  -0.913 -10.227
  318    H    ILE  40           HN       ILE  40  -0.687   0.538  -6.955
  319    HA   ILE  40           HA       ILE  40  -0.972   2.809  -5.374
  320    HB   ILE  40           HB       ILE  40   0.831   0.411  -4.979
  321   HG12  ILE  40          HG12      ILE  40  -1.845   1.156  -3.789
  322   HG13  ILE  40          HG11      ILE  40  -1.585  -0.030  -5.058
  323   HG21  ILE  40          HG21      ILE  40   0.962   1.079  -2.592
  324   HG22  ILE  40          HG22      ILE  40   0.171   2.605  -3.003
  325   HG23  ILE  40          HG23      ILE  40   1.754   2.229  -3.668
  326   HD11  ILE  40          HD11      ILE  40  -0.298  -1.394  -3.496
  327   HD12  ILE  40          HD12      ILE  40  -1.937  -1.091  -2.920
  328   HD13  ILE  40          HD13      ILE  40  -0.580  -0.198  -2.231
  329    H    ALA  41           HN       ALA  41   1.985   1.595  -6.931
  330    HA   ALA  41           HA       ALA  41   3.639   3.660  -5.985
  331    HB1  ALA  41           HB1      ALA  41   4.054   1.992  -8.461
  332    HB2  ALA  41           HB2      ALA  41   4.488   1.528  -6.809
  333    HB3  ALA  41           HB3      ALA  41   5.278   2.906  -7.567
  334    H    SER  42           HN       SER  42   1.552   3.507  -8.775
  335    HA   SER  42           HA       SER  42   2.622   5.880  -9.907
  336    HB2  SER  42           HB2      SER  42   1.400   4.179 -11.248
  337    HB3  SER  42           HB1      SER  42  -0.069   4.557 -10.361
  338    HG   SER  42           HG       SER  42   1.078   6.783 -11.475
  339    H    LEU  43           HN       LEU  43  -0.116   5.183  -7.783
  340    HA   LEU  43           HA       LEU  43  -1.128   7.832  -7.668
  341    HB2  LEU  43           HB2      LEU  43  -1.346   5.614  -5.628
  342    HB3  LEU  43           HB1      LEU  43  -2.327   7.062  -5.667
  343    HG   LEU  43           HG       LEU  43  -2.331   4.868  -7.727
  344   HD11  LEU  43          HD11      LEU  43  -4.602   4.435  -6.898
  345   HD12  LEU  43          HD12      LEU  43  -4.344   5.627  -5.618
  346   HD13  LEU  43          HD13      LEU  43  -3.365   4.165  -5.672
  347   HD21  LEU  43          HD21      LEU  43  -2.781   6.993  -8.786
  348   HD22  LEU  43          HD22      LEU  43  -3.944   7.405  -7.531
  349   HD23  LEU  43          HD23      LEU  43  -4.288   6.087  -8.645
  350    H    LEU  44           HN       LEU  44   0.861   5.950  -5.482
  351    HA   LEU  44           HA       LEU  44   1.567   8.130  -3.770
  352    HB2  LEU  44           HB2      LEU  44   1.421   5.868  -2.920
  353    HB3  LEU  44           HB1      LEU  44   2.512   5.288  -4.151
  354    HG   LEU  44           HG       LEU  44   4.325   6.601  -3.060
  355   HD11  LEU  44          HD11      LEU  44   2.305   6.950  -0.859
  356   HD12  LEU  44          HD12      LEU  44   2.985   8.231  -1.866
  357   HD13  LEU  44          HD13      LEU  44   4.023   7.332  -0.759
  358   HD21  LEU  44          HD21      LEU  44   2.951   4.489  -1.408
  359   HD22  LEU  44          HD22      LEU  44   4.642   4.976  -1.254
  360   HD23  LEU  44          HD23      LEU  44   4.072   4.220  -2.743
  361    H    GLY  45           HN       GLY  45   2.661   9.654  -4.817
  362    HA2  GLY  45           HA2      GLY  45   4.373   9.409  -7.038
  363    HA3  GLY  45           HA1      GLY  45   4.417  10.746  -5.912
  364    H    VAL  46           HN       VAL  46   5.600   7.455  -6.362
  365    HA   VAL  46           HA       VAL  46   8.227   8.199  -5.247
  366    HB   VAL  46           HB       VAL  46   8.370   6.015  -4.089
  367   HG11  VAL  46          HG11      VAL  46   6.005   7.668  -3.236
  368   HG12  VAL  46          HG12      VAL  46   7.677   7.908  -2.762
  369   HG13  VAL  46          HG13      VAL  46   6.809   6.466  -2.229
  370   HG21  VAL  46          HG21      VAL  46   5.475   5.682  -4.908
  371   HG22  VAL  46          HG22      VAL  46   6.310   4.655  -3.747
  372   HG23  VAL  46          HG23      VAL  46   6.839   4.696  -5.430
  373    H    LYS  47           HN       LYS  47   9.739   6.100  -5.669
  374    HA   LYS  47           HA       LYS  47   9.460   5.381  -8.462
  375    HB2  LYS  47           HB2      LYS  47  11.580   4.655  -6.431
  376    HB3  LYS  47           HB1      LYS  47  11.622   4.235  -8.134
  377    HG2  LYS  47           HG2      LYS  47  11.728   6.623  -8.688
  378    HG3  LYS  47           HG1      LYS  47  11.733   7.004  -6.965
  379    HD2  LYS  47           HD2      LYS  47  14.022   7.043  -7.722
  380    HD3  LYS  47           HD1      LYS  47  13.788   5.606  -6.733
  381    HE2  LYS  47           HE2      LYS  47  15.114   5.096  -8.714
  382    HE3  LYS  47           HE1      LYS  47  13.586   4.230  -8.739
  383    HZ1  LYS  47           HZ1      LYS  47  14.111   6.751 -10.230
  384    HZ2  LYS  47           HZ2      LYS  47  12.734   5.786 -10.354
  385    HZ3  LYS  47           HZ3      LYS  47  14.221   5.213 -10.871
  386    H    LYS  48           HN       LYS  48   9.522   3.179  -9.114
  387    HA   LYS  48           HA       LYS  48   7.682   1.513  -7.759
  388    HB2  LYS  48           HB2      LYS  48   7.915   1.411 -10.148
  389    HB3  LYS  48           HB1      LYS  48   9.612   0.984 -10.014
  390    HG2  LYS  48           HG2      LYS  48   8.518  -1.001 -10.558
  391    HG3  LYS  48           HG1      LYS  48   8.889  -1.055  -8.832
  392    HD2  LYS  48           HD2      LYS  48   6.556  -0.549  -8.245
  393    HD3  LYS  48           HD1      LYS  48   6.141  -0.293  -9.936
  394    HE2  LYS  48           HE2      LYS  48   6.911  -2.906  -8.620
  395    HE3  LYS  48           HE1      LYS  48   5.339  -2.433  -9.275
  396    HZ1  LYS  48           HZ1      LYS  48   6.218  -2.419 -11.467
  397    HZ2  LYS  48           HZ2      LYS  48   6.596  -3.898 -10.751
  398    HZ3  LYS  48           HZ3      LYS  48   7.778  -2.729 -10.914
  399    H    GLU  49           HN       GLU  49  11.170   1.424  -8.163
  400    HA   GLU  49           HA       GLU  49  11.463  -1.039  -6.822
  401    HB2  GLU  49           HB2      GLU  49  13.974  -0.489  -6.929
  402    HB3  GLU  49           HB1      GLU  49  13.098  -0.795  -8.413
  403    HG2  GLU  49           HG2      GLU  49  13.681   1.985  -7.398
  404    HG3  GLU  49           HG1      GLU  49  14.759   1.073  -8.448
  405    H    GLU  50           HN       GLU  50  11.630   2.226  -5.618
  406    HA   GLU  50           HA       GLU  50  12.868   1.448  -3.154
  407    HB2  GLU  50           HB2      GLU  50  12.165   3.633  -2.273
  408    HB3  GLU  50           HB1      GLU  50  12.820   3.825  -3.888
  409    HG2  GLU  50           HG2      GLU  50  10.503   3.911  -4.758
  410    HG3  GLU  50           HG1      GLU  50   9.927   3.812  -3.105
  411    H    LEU  51           HN       LEU  51   9.628   1.675  -4.367
  412    HA   LEU  51           HA       LEU  51   8.456   0.836  -1.932
  413    HB2  LEU  51           HB2      LEU  51   7.319   2.306  -3.623
  414    HB3  LEU  51           HB1      LEU  51   7.291   0.920  -4.698
  415    HG   LEU  51           HG       LEU  51   5.846  -0.278  -3.072
  416   HD11  LEU  51          HD11      LEU  51   6.481   0.851  -1.034
  417   HD12  LEU  51          HD12      LEU  51   4.743   0.988  -1.290
  418   HD13  LEU  51          HD13      LEU  51   5.796   2.362  -1.629
  419   HD21  LEU  51          HD21      LEU  51   3.809   1.030  -3.517
  420   HD22  LEU  51          HD22      LEU  51   4.836   0.844  -4.935
  421   HD23  LEU  51          HD23      LEU  51   4.815   2.377  -4.058
  422    H    GLY  52           HN       GLY  52  10.349  -0.604  -4.168
  423    HA2  GLY  52           HA2      GLY  52   9.088  -3.166  -4.551
  424    HA3  GLY  52           HA1      GLY  52  10.724  -2.710  -5.007
  425    H    ASP  53           HN       ASP  53  11.893  -1.959  -2.690
  426    HA   ASP  53           HA       ASP  53  12.016  -4.383  -1.216
  427    HB2  ASP  53           HB2      ASP  53  13.391  -3.178   0.515
  428    HB3  ASP  53           HB1      ASP  53  14.017  -2.982  -1.107
  429    H    ARG  54           HN       ARG  54  10.247  -1.404  -0.812
  430    HA   ARG  54           HA       ARG  54   8.931  -2.382   1.467
  431    HB2  ARG  54           HB2      ARG  54   8.396  -0.095  -0.299
  432    HB3  ARG  54           HB1      ARG  54   6.985  -0.748   0.528
  433    HG2  ARG  54           HG2      ARG  54   7.888   1.031   1.843
  434    HG3  ARG  54           HG1      ARG  54   8.223  -0.487   2.671
  435    HD2  ARG  54           HD2      ARG  54  10.484  -0.423   1.526
  436    HD3  ARG  54           HD1      ARG  54  10.077   1.222   1.080
  437    HE   ARG  54           HE       ARG  54   9.710   0.797   3.868
  438   HH11  ARG  54          HH11      ARG  54  12.278   1.262   1.491
  439   HH12  ARG  54          HH12      ARG  54  13.298   2.125   2.547
  440   HH21  ARG  54          HH21      ARG  54  11.128   1.915   5.337
  441   HH22  ARG  54          HH22      ARG  54  12.634   2.526   4.790
  442    H    ILE  55           HN       ILE  55   8.610  -3.422  -1.758
  443    HA   ILE  55           HA       ILE  55   5.965  -4.449  -1.500
  444    HB   ILE  55           HB       ILE  55   8.184  -5.237  -3.442
  445   HG12  ILE  55          HG12      ILE  55   5.559  -3.817  -3.881
  446   HG13  ILE  55          HG11      ILE  55   7.130  -3.046  -3.829
  447   HG21  ILE  55          HG21      ILE  55   6.511  -6.571  -4.669
  448   HG22  ILE  55          HG22      ILE  55   5.366  -6.244  -3.360
  449   HG23  ILE  55          HG23      ILE  55   6.808  -7.205  -3.041
  450   HD11  ILE  55          HD11      ILE  55   6.190  -5.033  -5.893
  451   HD12  ILE  55          HD12      ILE  55   7.794  -4.311  -5.839
  452   HD13  ILE  55          HD13      ILE  55   6.379  -3.294  -6.118
  453    H    ALA  56           HN       ALA  56   9.158  -5.741  -0.914
  454    HA   ALA  56           HA       ALA  56   8.398  -8.335  -0.116
  455    HB1  ALA  56           HB1      ALA  56  10.748  -7.681  -0.407
  456    HB2  ALA  56           HB2      ALA  56  10.474  -8.361   1.199
  457    HB3  ALA  56           HB3      ALA  56  10.624  -6.616   0.995
  458    H    GLN  57           HN       GLN  57   8.770  -5.372   1.715
  459    HA   GLN  57           HA       GLN  57   7.900  -6.281   4.244
  460    HB2  GLN  57           HB2      GLN  57   9.070  -4.058   3.441
  461    HB3  GLN  57           HB1      GLN  57   7.433  -3.483   3.236
  462    HG2  GLN  57           HG2      GLN  57   8.584  -4.462   5.855
  463    HG3  GLN  57           HG1      GLN  57   8.552  -2.792   5.329
  464   HE21  GLN  57          HE21      GLN  57   6.728  -5.419   6.668
  465   HE22  GLN  57          HE22      GLN  57   5.326  -4.493   7.031
  466    H    PHE  58           HN       PHE  58   6.258  -4.942   1.462
  467    HA   PHE  58           HA       PHE  58   3.665  -4.566   2.377
  468    HB2  PHE  58           HB2      PHE  58   4.853  -3.932   0.157
  469    HB3  PHE  58           HB1      PHE  58   4.329  -5.508  -0.398
  470    HD1  PHE  58           HD1      PHE  58   1.766  -5.928  -0.358
  471    HD2  PHE  58           HD2      PHE  58   3.554  -2.091  -0.032
  472    HE1  PHE  58           HE1      PHE  58  -0.324  -4.878  -1.133
  473    HE2  PHE  58           HE2      PHE  58   1.468  -1.046  -0.779
  474    HZ   PHE  58           HZ       PHE  58  -0.465  -2.438  -1.332
  475    H    TYR  59           HN       TYR  59   5.239  -7.430   0.937
  476    HA   TYR  59           HA       TYR  59   3.013  -9.119   0.909
  477    HB2  TYR  59           HB2      TYR  59   5.936  -9.726   1.246
  478    HB3  TYR  59           HB1      TYR  59   4.737 -10.998   1.383
  479    HD1  TYR  59           HD2      TYR  59   3.188 -11.365  -0.626
  480    HD2  TYR  59           HD1      TYR  59   6.763  -9.095  -0.830
  481    HE1  TYR  59           HE2      TYR  59   3.241 -11.678  -3.063
  482    HE2  TYR  59           HE1      TYR  59   6.832  -9.403  -3.258
  483    HH   TYR  59           HH       TYR  59   5.987 -10.904  -4.925
  484    H    THR  60           HN       THR  60   5.441  -8.741   3.476
  485    HA   THR  60           HA       THR  60   4.107 -10.474   5.250
  486    HB   THR  60           HB       THR  60   5.992  -8.209   5.869
  487    HG1  THR  60           HG1      THR  60   7.512  -9.502   5.173
  488   HG21  THR  60          HG21      THR  60   4.843  -9.053   7.877
  489   HG22  THR  60          HG22      THR  60   6.537  -9.541   7.890
  490   HG23  THR  60          HG23      THR  60   5.285 -10.702   7.445
  491    H    ASP  61           HN       ASP  61   3.962  -6.984   4.887
  492    HA   ASP  61           HA       ASP  61   2.328  -6.348   7.082
  493    HB2  ASP  61           HB2      ASP  61   3.696  -4.767   5.674
  494    HB3  ASP  61           HB1      ASP  61   2.491  -4.934   4.409
  495    H    LEU  62           HN       LEU  62   1.644  -7.382   3.836
  496    HA   LEU  62           HA       LEU  62  -1.181  -7.024   3.865
  497    HB2  LEU  62           HB2      LEU  62   0.674  -7.446   1.950
  498    HB3  LEU  62           HB1      LEU  62   0.115  -9.085   2.159
  499    HG   LEU  62           HG       LEU  62  -1.049  -8.211   0.326
  500   HD11  LEU  62          HD11      LEU  62  -2.875  -8.031   2.680
  501   HD12  LEU  62          HD12      LEU  62  -2.440  -9.485   1.782
  502   HD13  LEU  62          HD13      LEU  62  -3.360  -8.203   0.995
  503   HD21  LEU  62          HD21      LEU  62  -1.658  -5.796   2.004
  504   HD22  LEU  62          HD22      LEU  62  -2.332  -6.117   0.406
  505   HD23  LEU  62          HD23      LEU  62  -0.595  -5.891   0.607
  506    H    ASN  63           HN       ASN  63   1.001  -9.815   4.181
  507    HA   ASN  63           HA       ASN  63  -0.977 -11.793   4.476
  508    HB2  ASN  63           HB2      ASN  63   1.948 -11.914   5.290
  509    HB3  ASN  63           HB1      ASN  63   0.842 -13.277   5.328
  510   HD21  ASN  63          HD21      ASN  63   3.320 -12.905   3.841
  511   HD22  ASN  63          HD22      ASN  63   2.933 -13.136   2.189
  512    H    ILE  64           HN       ILE  64   0.234  -9.593   6.820
  513    HA   ILE  64           HA       ILE  64  -0.712 -11.292   8.970
  514    HB   ILE  64           HB       ILE  64   0.019  -9.534  10.534
  515   HG12  ILE  64          HG12      ILE  64   0.992  -8.104   8.046
  516   HG13  ILE  64          HG11      ILE  64  -0.345  -7.585   9.063
  517   HG21  ILE  64          HG21      ILE  64   2.098 -10.389   8.526
  518   HG22  ILE  64          HG22      ILE  64   1.552 -11.309   9.926
  519   HG23  ILE  64          HG23      ILE  64   2.432  -9.798  10.152
  520   HD11  ILE  64          HD11      ILE  64   2.538  -7.785   9.895
  521   HD12  ILE  64          HD12      ILE  64   1.203  -7.243  10.915
  522   HD13  ILE  64          HD13      ILE  64   1.670  -6.304   9.495
  523    H    ASP  65           HN       ASP  65  -2.034  -8.898   6.980
  524    HA   ASP  65           HA       ASP  65  -3.938  -7.910   8.881
  525    HB2  ASP  65           HB2      ASP  65  -3.383  -6.501   6.987
  526    HB3  ASP  65           HB1      ASP  65  -3.908  -7.744   5.851
  527    H    GLY  66           HN       GLY  66  -6.146  -8.382   8.971
  528    HA2  GLY  66           HA2      GLY  66  -6.613 -11.186   8.249
  529    HA3  GLY  66           HA1      GLY  66  -7.349 -10.344   9.628
  530    H    ARG  67           HN       ARG  67  -7.535  -8.198   7.060
  531    HA   ARG  67           HA       ARG  67 -10.252  -9.145   6.554
  532    HB2  ARG  67           HB2      ARG  67  -9.061  -6.382   6.333
  533    HB3  ARG  67           HB1      ARG  67 -10.677  -6.802   5.787
  534    HG2  ARG  67           HG2      ARG  67 -11.220  -7.495   8.104
  535    HG3  ARG  67           HG1      ARG  67  -9.633  -6.901   8.598
  536    HD2  ARG  67           HD2      ARG  67 -11.733  -5.250   7.231
  537    HD3  ARG  67           HD1      ARG  67 -11.482  -5.279   8.975
  538    HE   ARG  67           HE       ARG  67  -9.042  -4.633   7.905
  539   HH11  ARG  67          HH11      ARG  67 -12.283  -3.266   7.584
  540   HH12  ARG  67          HH12      ARG  67 -11.751  -1.648   7.520
  541   HH21  ARG  67          HH21      ARG  67  -8.302  -2.453   7.807
  542   HH22  ARG  67          HH22      ARG  67  -9.403  -1.158   7.645
  543    H    PHE  68           HN       PHE  68  -7.218  -8.559   5.212
  544    HA   PHE  68           HA       PHE  68  -8.071  -8.541   2.512
  545    HB2  PHE  68           HB2      PHE  68  -5.594  -8.336   3.940
  546    HB3  PHE  68           HB1      PHE  68  -5.438  -9.441   2.574
  547    HD1  PHE  68           HD1      PHE  68  -5.736  -8.693   0.346
  548    HD2  PHE  68           HD2      PHE  68  -6.055  -5.993   3.595
  549    HE1  PHE  68           HE1      PHE  68  -5.541  -6.838  -1.210
  550    HE2  PHE  68           HE2      PHE  68  -5.864  -4.101   2.031
  551    HZ   PHE  68           HZ       PHE  68  -5.606  -4.542  -0.402
  552    H    LEU  69           HN       LEU  69  -7.494 -10.156   0.956
  553    HA   LEU  69           HA       LEU  69  -7.376 -12.913   1.867
  554    HB2  LEU  69           HB2      LEU  69  -9.683 -12.606   1.900
  555    HB3  LEU  69           HB1      LEU  69  -9.708 -11.617   0.475
  556    HG   LEU  69           HG       LEU  69  -9.066 -13.730  -0.808
  557   HD11  LEU  69          HD11      LEU  69  -8.256 -15.045   1.065
  558   HD12  LEU  69          HD12      LEU  69  -9.607 -15.849   0.266
  559   HD13  LEU  69          HD13      LEU  69  -9.858 -15.016   1.798
  560   HD21  LEU  69          HD21      LEU  69 -11.362 -14.533  -0.827
  561   HD22  LEU  69          HD22      LEU  69 -11.276 -12.771  -0.847
  562   HD23  LEU  69          HD23      LEU  69 -11.690 -13.618   0.644
  563    H    ALA  70           HN       ALA  70  -6.086 -14.016   0.466
  564    HA   ALA  70           HA       ALA  70  -5.615 -12.881  -2.178
  565    HB1  ALA  70           HB1      ALA  70  -4.292 -15.226  -0.783
  566    HB2  ALA  70           HB2      ALA  70  -3.566 -13.630  -1.041
  567    HB3  ALA  70           HB3      ALA  70  -3.935 -14.681  -2.413
  568    H    LEU  71           HN       LEU  71  -7.116 -13.474  -3.553
  569    HA   LEU  71           HA       LEU  71  -8.452 -15.934  -3.215
  570    HB2  LEU  71           HB2      LEU  71  -8.465 -13.973  -5.532
  571    HB3  LEU  71           HB1      LEU  71  -9.446 -15.427  -5.498
  572    HG   LEU  71           HG       LEU  71 -10.494 -14.471  -3.366
  573   HD11  LEU  71          HD11      LEU  71 -10.461 -12.053  -3.083
  574   HD12  LEU  71          HD12      LEU  71  -9.226 -11.923  -4.335
  575   HD13  LEU  71          HD13      LEU  71  -8.868 -12.767  -2.830
  576   HD21  LEU  71          HD21      LEU  71 -11.675 -14.541  -5.467
  577   HD22  LEU  71          HD22      LEU  71 -10.920 -13.010  -5.951
  578   HD23  LEU  71          HD23      LEU  71 -12.027 -13.060  -4.572
  579    H    SER  72           HN       SER  72  -8.523 -17.337  -5.365
  580    HA   SER  72           HA       SER  72  -6.549 -19.072  -5.102
  581    HB2  SER  72           HB2      SER  72  -7.200 -19.909  -7.381
  582    HB3  SER  72           HB1      SER  72  -8.489 -19.722  -6.187
  583    HG   SER  72           HG       SER  72  -8.171 -18.558  -8.577
  584    H    ASP  73           HN       ASP  73  -6.289 -16.446  -7.495
  585    HA   ASP  73           HA       ASP  73  -3.652 -17.584  -8.121
  586    HB2  ASP  73           HB2      ASP  73  -5.474 -15.924  -9.841
  587    HB3  ASP  73           HB1      ASP  73  -3.777 -16.149 -10.239
  588    H    GLN  74           HN       GLN  74  -4.060 -15.887  -5.879
  589    HA   GLN  74           HA       GLN  74  -3.008 -14.196  -4.799
  590    HB2  GLN  74           HB2      GLN  74  -1.125 -14.501  -7.123
  591    HB3  GLN  74           HB1      GLN  74  -0.940 -13.119  -6.053
  592    HG2  GLN  74           HG2      GLN  74   0.518 -15.040  -5.478
  593    HG3  GLN  74           HG1      GLN  74  -0.550 -14.538  -4.172
  594   HE21  GLN  74          HE21      GLN  74  -2.147 -15.907  -3.487
  595   HE22  GLN  74          HE22      GLN  74  -2.303 -17.527  -4.016
  596    H    THR  75           HN       THR  75  -5.031 -13.918  -6.706
  597    HA   THR  75           HA       THR  75  -4.970 -11.122  -7.410
  598    HB   THR  75           HB       THR  75  -7.406 -12.916  -7.252
  599    HG1  THR  75           HG1      THR  75  -5.309 -12.938  -9.205
  600   HG21  THR  75          HG21      THR  75  -8.138 -11.546  -9.135
  601   HG22  THR  75          HG22      THR  75  -6.568 -10.739  -9.160
  602   HG23  THR  75          HG23      THR  75  -7.648 -10.517  -7.783
  603    H    TRP  76           HN       TRP  76  -5.227  -9.713  -5.666
  604    HA   TRP  76           HA       TRP  76  -6.169 -10.972  -3.237
  605    HB2  TRP  76           HB2      TRP  76  -4.630  -8.420  -3.717
  606    HB3  TRP  76           HB1      TRP  76  -5.288  -8.871  -2.153
  607    HD1  TRP  76           HD1      TRP  76  -2.558  -9.880  -4.645
  608    HE1  TRP  76           HE1      TRP  76  -0.779 -11.276  -3.391
  609    HE3  TRP  76           HE3      TRP  76  -4.933 -10.403  -0.171
  610    HZ2  TRP  76           HZ2      TRP  76  -0.431 -12.438  -0.801
  611    HZ3  TRP  76           HZ3      TRP  76  -3.827 -11.645   1.624
  612    HH2  TRP  76           HH2      TRP  76  -1.629 -12.646   1.308
  613    H    GLY  77           HN       GLY  77  -7.492  -9.771  -1.871
  614    HA2  GLY  77           HA2      GLY  77  -8.932  -7.536  -2.730
  615    HA3  GLY  77           HA1      GLY  77  -9.872  -9.017  -2.935
  616    H    LEU  78           HN       LEU  78 -11.289  -8.538  -1.308
  617    HA   LEU  78           HA       LEU  78 -10.059  -8.487   1.326
  618    HB2  LEU  78           HB2      LEU  78 -12.539  -7.023   0.447
  619    HB3  LEU  78           HB1      LEU  78 -11.969  -7.118   2.104
  620    HG   LEU  78           HG       LEU  78 -10.458  -5.833  -0.181
  621   HD11  LEU  78          HD11      LEU  78 -11.920  -4.587   2.122
  622   HD12  LEU  78          HD12      LEU  78 -12.427  -4.559   0.432
  623   HD13  LEU  78          HD13      LEU  78 -10.950  -3.732   0.926
  624   HD21  LEU  78          HD21      LEU  78  -8.947  -6.733   1.490
  625   HD22  LEU  78          HD22      LEU  78  -9.864  -5.945   2.773
  626   HD23  LEU  78          HD23      LEU  78  -8.988  -4.974   1.591
  627    H    ARG  79           HN       ARG  79 -10.839  -9.672   2.834
  628    HA   ARG  79           HA       ARG  79 -12.234 -12.036   2.074
  629    HB2  ARG  79           HB2      ARG  79 -10.245 -11.694   3.685
  630    HB3  ARG  79           HB1      ARG  79 -11.443 -11.131   4.829
  631    HG2  ARG  79           HG2      ARG  79 -12.504 -13.237   4.874
  632    HG3  ARG  79           HG1      ARG  79 -11.503 -13.831   3.543
  633    HD2  ARG  79           HD2      ARG  79 -10.545 -13.007   6.272
  634    HD3  ARG  79           HD1      ARG  79 -10.690 -14.667   5.666
  635    HE   ARG  79           HE       ARG  79  -8.834 -12.653   4.549
  636   HH11  ARG  79          HH11      ARG  79  -9.454 -16.033   5.543
  637   HH12  ARG  79          HH12      ARG  79  -7.930 -16.568   5.045
  638   HH21  ARG  79          HH21      ARG  79  -6.738 -13.416   3.957
  639   HH22  ARG  79          HH22      ARG  79  -6.338 -15.049   4.151
  640    H    SER  80           HN       SER  80 -12.863  -9.067   3.751
  641    HA   SER  80           HA       SER  80 -15.362  -9.682   4.936
  642    HB2  SER  80           HB2      SER  80 -14.205  -6.996   4.189
  643    HB3  SER  80           HB1      SER  80 -15.343  -7.356   5.491
  644    HG   SER  80           HG       SER  80 -13.589  -8.810   6.258
  645    H    TRP  81           HN       TRP  81 -14.955 -10.054   1.929
  646    HA   TRP  81           HA       TRP  81 -17.057  -8.345   0.794
  647    HB2  TRP  81           HB2      TRP  81 -14.858  -9.984  -0.326
  648    HB3  TRP  81           HB1      TRP  81 -16.269  -9.641  -1.302
  649    HD1  TRP  81           HD1      TRP  81 -16.087  -6.489   0.243
  650    HE1  TRP  81           HE1      TRP  81 -14.610  -4.861  -1.088
  651    HE3  TRP  81           HE3      TRP  81 -13.490  -9.899  -2.505
  652    HZ2  TRP  81           HZ2      TRP  81 -12.604  -5.022  -3.074
  653    HZ3  TRP  81           HZ3      TRP  81 -11.808  -9.087  -4.119
  654    HH2  TRP  81           HH2      TRP  81 -11.373  -6.704  -4.389
  655    H    TYR  82           HN       TYR  82 -16.454 -11.547   1.920
  656    HA   TYR  82           HA       TYR  82 -18.867 -12.569   0.602
  657    HB2  TYR  82           HB2      TYR  82 -16.175 -13.968   0.676
  658    HB3  TYR  82           HB1      TYR  82 -17.654 -14.664   0.069
  659    HD1  TYR  82           HD2      TYR  82 -18.553 -13.913  -2.117
  660    HD2  TYR  82           HD1      TYR  82 -14.819 -12.507  -0.649
  661    HE1  TYR  82           HE2      TYR  82 -17.915 -13.220  -4.389
  662    HE2  TYR  82           HE1      TYR  82 -14.167 -11.832  -2.892
  663    HH   TYR  82           HH       TYR  82 -16.399 -11.657  -5.454
  Start of MODEL   14
    1    H1   GLY   2           HT1      GLY   2 -13.077   4.645  -0.960
    2    H2   GLY   2           HT2      GLY   2 -11.744   3.670  -0.881
    3    H3   GLY   2           HT3      GLY   2 -12.137   4.421  -2.375
    4    HA2  GLY   2           HA1      GLY   2 -11.700   6.570  -1.142
    5    HA3  GLY   2           HA2      GLY   2 -11.081   5.523   0.133
    6    H    ILE   3           HN       ILE   3  -9.043   6.261  -0.029
    7    HA   ILE   3           HA       ILE   3  -6.979   6.413  -0.507
    8    HB   ILE   3           HB       ILE   3  -7.181   3.904  -0.732
    9   HG12  ILE   3          HG12      ILE   3  -4.840   3.652  -1.511
   10   HG13  ILE   3          HG11      ILE   3  -4.862   5.350  -1.981
   11   HG21  ILE   3          HG21      ILE   3  -8.115   3.748  -3.003
   12   HG22  ILE   3          HG22      ILE   3  -6.572   2.900  -2.909
   13   HG23  ILE   3          HG23      ILE   3  -6.658   4.494  -3.660
   14   HD11  ILE   3          HD11      ILE   3  -3.803   5.026   0.204
   15   HD12  ILE   3          HD12      ILE   3  -5.297   4.319   0.828
   16   HD13  ILE   3          HD13      ILE   3  -5.256   6.001   0.357
   17    H    LYS   4           HN       LYS   4  -8.694   6.292  -3.563
   18    HA   LYS   4           HA       LYS   4  -6.549   7.402  -5.110
   19    HB2  LYS   4           HB2      LYS   4  -8.120   7.599  -6.920
   20    HB3  LYS   4           HB1      LYS   4  -8.416   6.078  -6.091
   21    HG2  LYS   4           HG2      LYS   4 -10.301   7.082  -4.917
   22    HG3  LYS   4           HG1      LYS   4 -10.013   8.609  -5.751
   23    HD2  LYS   4           HD2      LYS   4 -10.363   7.421  -7.906
   24    HD3  LYS   4           HD1      LYS   4 -10.806   5.976  -6.996
   25    HE2  LYS   4           HE2      LYS   4 -12.604   7.305  -5.901
   26    HE3  LYS   4           HE1      LYS   4 -12.193   8.647  -6.960
   27    HZ1  LYS   4           HZ1      LYS   4 -13.251   5.989  -7.759
   28    HZ2  LYS   4           HZ2      LYS   4 -12.691   7.154  -8.850
   29    HZ3  LYS   4           HZ3      LYS   4 -14.023   7.493  -7.873
   30    H    GLN   5           HN       GLN   5  -8.208   8.811  -2.763
   31    HA   GLN   5           HA       GLN   5  -8.357  11.426  -4.051
   32    HB2  GLN   5           HB2      GLN   5  -9.921  12.022  -2.207
   33    HB3  GLN   5           HB1      GLN   5 -10.498  10.740  -3.258
   34    HG2  GLN   5           HG2      GLN   5  -9.657   9.109  -1.531
   35    HG3  GLN   5           HG1      GLN   5  -9.414  10.494  -0.468
   36   HE21  GLN   5          HE21      GLN   5 -11.735   8.518  -2.112
   37   HE22  GLN   5          HE22      GLN   5 -13.108   9.037  -1.228
   38    H    TYR   6           HN       TYR   6  -6.187   9.785  -2.382
   39    HA   TYR   6           HA       TYR   6  -5.429  12.040  -0.660
   40    HB2  TYR   6           HB2      TYR   6  -4.336   9.233  -0.806
   41    HB3  TYR   6           HB1      TYR   6  -3.737  10.462   0.285
   42    HD1  TYR   6           HD2      TYR   6  -5.568  11.439   1.952
   43    HD2  TYR   6           HD1      TYR   6  -5.842   7.809  -0.149
   44    HE1  TYR   6           HE2      TYR   6  -7.176  10.611   3.638
   45    HE2  TYR   6           HE1      TYR   6  -7.455   6.940   1.525
   46    HH   TYR   6           HH       TYR   6  -8.203   7.292   3.666
   47    H    SER   7           HN       SER   7  -2.745  11.812  -0.603
   48    HA   SER   7           HA       SER   7  -1.799  11.919  -3.329
   49    HB2  SER   7           HB2      SER   7  -1.555  14.168  -1.321
   50    HB3  SER   7           HB1      SER   7  -0.792  14.160  -2.912
   51    HG   SER   7           HG       SER   7  -3.359  13.557  -3.170
   52    H    GLN   8           HN       GLN   8   0.785  12.372  -3.068
   53    HA   GLN   8           HA       GLN   8   1.583   9.874  -2.220
   54    HB2  GLN   8           HB2      GLN   8   3.838  10.521  -2.748
   55    HB3  GLN   8           HB1      GLN   8   2.725  11.211  -3.922
   56    HG2  GLN   8           HG2      GLN   8   2.744  13.269  -2.593
   57    HG3  GLN   8           HG1      GLN   8   4.037  12.545  -1.629
   58   HE21  GLN   8          HE21      GLN   8   5.536  14.021  -2.137
   59   HE22  GLN   8          HE22      GLN   8   6.276  14.149  -3.698
   60    H    GLU   9           HN       GLU   9   2.283  12.926  -0.426
   61    HA   GLU   9           HA       GLU   9   3.897  11.884   1.557
   62    HB2  GLU   9           HB2      GLU   9   2.150  14.257   1.361
   63    HB3  GLU   9           HB1      GLU   9   2.704  13.805   2.968
   64    HG2  GLU   9           HG2      GLU   9   4.267  15.386   2.077
   65    HG3  GLU   9           HG1      GLU   9   4.895  13.724   2.158
   66    H    GLU  10           HN       GLU  10   0.599  11.753   1.271
   67    HA   GLU  10           HA       GLU  10  -0.091  10.937   3.943
   68    HB2  GLU  10           HB2      GLU  10  -1.542  12.037   2.169
   69    HB3  GLU  10           HB1      GLU  10  -1.597  10.488   1.366
   70    HG2  GLU  10           HG2      GLU  10  -2.639  11.039   4.153
   71    HG3  GLU  10           HG1      GLU  10  -3.624  11.075   2.702
   72    H    LEU  11           HN       LEU  11   0.043   9.221   0.821
   73    HA   LEU  11           HA       LEU  11  -0.265   6.645   1.929
   74    HB2  LEU  11           HB2      LEU  11   0.786   7.427  -0.791
   75    HB3  LEU  11           HB1      LEU  11   0.492   5.761  -0.324
   76    HG   LEU  11           HG       LEU  11  -1.957   6.615   0.021
   77   HD11  LEU  11          HD11      LEU  11  -0.832   8.756  -1.764
   78   HD12  LEU  11          HD12      LEU  11  -1.565   8.964  -0.186
   79   HD13  LEU  11          HD13      LEU  11  -2.545   8.419  -1.549
   80   HD21  LEU  11          HD21      LEU  11  -0.789   6.345  -2.742
   81   HD22  LEU  11          HD22      LEU  11  -2.482   6.149  -2.297
   82   HD23  LEU  11          HD23      LEU  11  -1.278   5.010  -1.693
   83    H    LYS  12           HN       LYS  12   2.504   8.593   1.418
   84    HA   LYS  12           HA       LYS  12   4.551   6.666   1.562
   85    HB2  LYS  12           HB2      LYS  12   4.460   9.577   2.312
   86    HB3  LYS  12           HB1      LYS  12   5.919   8.640   2.512
   87    HG2  LYS  12           HG2      LYS  12   4.479   9.011  -0.110
   88    HG3  LYS  12           HG1      LYS  12   5.814  10.017   0.441
   89    HD2  LYS  12           HD2      LYS  12   6.019   7.019   0.101
   90    HD3  LYS  12           HD1      LYS  12   6.443   8.179  -1.156
   91    HE2  LYS  12           HE2      LYS  12   8.100   9.168   0.256
   92    HE3  LYS  12           HE1      LYS  12   7.675   8.104   1.595
   93    HZ1  LYS  12           HZ1      LYS  12   8.349   6.200   0.154
   94    HZ2  LYS  12           HZ2      LYS  12   9.601   7.202   0.569
   95    HZ3  LYS  12           HZ3      LYS  12   8.982   7.271  -0.991
   96    H    GLU  13           HN       GLU  13   2.622   8.209   4.070
   97    HA   GLU  13           HA       GLU  13   4.396   7.025   6.071
   98    HB2  GLU  13           HB2      GLU  13   2.302   9.147   6.475
   99    HB3  GLU  13           HB1      GLU  13   3.452   8.574   7.667
  100    HG2  GLU  13           HG2      GLU  13   4.048  10.142   5.168
  101    HG3  GLU  13           HG1      GLU  13   4.171  10.700   6.832
  102    H    MET  14           HN       MET  14   1.225   6.635   4.756
  103    HA   MET  14           HA       MET  14   0.252   5.510   7.249
  104    HB2  MET  14           HB2      MET  14  -1.244   5.839   4.657
  105    HB3  MET  14           HB1      MET  14  -1.941   5.355   6.199
  106    HG2  MET  14           HG2      MET  14  -0.706   7.999   5.502
  107    HG3  MET  14           HG1      MET  14  -2.396   7.667   5.857
  108    HE1  MET  14           HE1      MET  14  -2.368   9.738   7.532
  109    HE2  MET  14           HE2      MET  14  -0.662  10.006   7.177
  110    HE3  MET  14           HE3      MET  14  -1.208   9.912   8.850
  111    H    ALA  15           HN       ALA  15  -1.247   3.511   6.999
  112    HA   ALA  15           HA       ALA  15   0.542   1.356   6.697
  113    HB1  ALA  15           HB1      ALA  15  -1.293   1.360   8.327
  114    HB2  ALA  15           HB2      ALA  15  -1.346  -0.062   7.285
  115    HB3  ALA  15           HB3      ALA  15  -2.456   1.276   7.002
  116    H    LEU  16           HN       LEU  16   0.921   0.045   5.140
  117    HA   LEU  16           HA       LEU  16  -0.051   0.725   2.602
  118    HB2  LEU  16           HB2      LEU  16   1.508  -1.007   1.679
  119    HB3  LEU  16           HB1      LEU  16   2.234   0.303   2.570
  120    HG   LEU  16           HG       LEU  16   1.881  -2.518   3.650
  121   HD11  LEU  16          HD11      LEU  16   4.312  -1.128   2.580
  122   HD12  LEU  16          HD12      LEU  16   3.401  -2.353   1.706
  123   HD13  LEU  16          HD13      LEU  16   4.244  -2.776   3.201
  124   HD21  LEU  16          HD21      LEU  16   3.413  -0.116   4.689
  125   HD22  LEU  16          HD22      LEU  16   3.676  -1.763   5.228
  126   HD23  LEU  16          HD23      LEU  16   2.126  -1.007   5.529
  127    H    VAL  17           HN       VAL  17  -0.609  -2.184   4.576
  128    HA   VAL  17           HA       VAL  17  -2.157  -3.454   2.641
  129    HB   VAL  17           HB       VAL  17  -1.338  -4.524   4.744
  130   HG11  VAL  17          HG11      VAL  17  -2.632  -4.342   6.818
  131   HG12  VAL  17          HG12      VAL  17  -3.585  -3.047   6.092
  132   HG13  VAL  17          HG13      VAL  17  -1.858  -2.824   6.363
  133   HG21  VAL  17          HG21      VAL  17  -3.006  -5.658   3.407
  134   HG22  VAL  17          HG22      VAL  17  -4.296  -4.797   4.246
  135   HG23  VAL  17          HG23      VAL  17  -3.298  -5.960   5.120
  136    H    GLU  18           HN       GLU  18  -2.964  -0.807   4.747
  137    HA   GLU  18           HA       GLU  18  -5.812  -0.930   4.458
  138    HB2  GLU  18           HB2      GLU  18  -4.557   0.309   6.274
  139    HB3  GLU  18           HB1      GLU  18  -4.087   1.486   5.063
  140    HG2  GLU  18           HG2      GLU  18  -5.910   2.381   6.311
  141    HG3  GLU  18           HG1      GLU  18  -6.484   1.990   4.694
  142    H    ILE  19           HN       ILE  19  -3.204   0.864   2.901
  143    HA   ILE  19           HA       ILE  19  -4.596   2.338   0.990
  144    HB   ILE  19           HB       ILE  19  -1.871   1.014   0.741
  145   HG12  ILE  19          HG12      ILE  19  -2.600   3.847   1.535
  146   HG13  ILE  19          HG11      ILE  19  -2.071   2.585   2.636
  147   HG21  ILE  19          HG21      ILE  19  -3.015   3.269  -0.895
  148   HG22  ILE  19          HG22      ILE  19  -2.780   1.617  -1.455
  149   HG23  ILE  19          HG23      ILE  19  -1.380   2.615  -1.036
  150   HD11  ILE  19          HD11      ILE  19   0.103   2.524   1.502
  151   HD12  ILE  19          HD12      ILE  19  -0.269   4.129   2.128
  152   HD13  ILE  19          HD13      ILE  19  -0.449   3.791   0.408
  153    H    ALA  20           HN       ALA  20  -3.273  -0.915   0.830
  154    HA   ALA  20           HA       ALA  20  -4.063  -1.558  -1.759
  155    HB1  ALA  20           HB1      ALA  20  -3.716  -3.878  -1.119
  156    HB2  ALA  20           HB2      ALA  20  -3.709  -3.417   0.585
  157    HB3  ALA  20           HB3      ALA  20  -2.429  -2.851  -0.487
  158    H    HIS  21           HN       HIS  21  -5.782  -1.979   1.349
  159    HA   HIS  21           HA       HIS  21  -7.974  -3.437   0.492
  160    HB2  HIS  21           HB2      HIS  21  -7.645  -2.867   2.867
  161    HB3  HIS  21           HB1      HIS  21  -7.955  -1.163   2.484
  162    HD1  HIS  21           HD1      HIS  21 -10.542  -0.508   1.921
  163    HD2  HIS  21           HD2      HIS  21  -9.910  -4.421   3.230
  164    HE1  HIS  21           HE1      HIS  21 -12.757  -1.479   2.163
  165    HE2  HIS  21           HE2      HIS  21 -12.290  -3.490   3.522
  166    H    GLU  22           HN       GLU  22  -7.559   0.040   0.487
  167    HA   GLU  22           HA       GLU  22 -10.121   0.626  -0.488
  168    HB2  GLU  22           HB2      GLU  22  -7.600   2.084  -0.338
  169    HB3  GLU  22           HB1      GLU  22  -9.052   2.844  -1.000
  170    HG2  GLU  22           HG2      GLU  22  -8.632   1.753   1.767
  171    HG3  GLU  22           HG1      GLU  22  -8.960   3.430   1.299
  172    H    LEU  23           HN       LEU  23  -7.139   0.019  -2.048
  173    HA   LEU  23           HA       LEU  23  -7.739   0.944  -4.610
  174    HB2  LEU  23           HB2      LEU  23  -5.550   0.335  -3.779
  175    HB3  LEU  23           HB1      LEU  23  -6.047  -1.328  -3.634
  176    HG   LEU  23           HG       LEU  23  -6.112  -1.556  -6.057
  177   HD11  LEU  23          HD11      LEU  23  -6.818   0.767  -6.591
  178   HD12  LEU  23          HD12      LEU  23  -5.378   0.287  -7.483
  179   HD13  LEU  23          HD13      LEU  23  -5.233   1.344  -6.076
  180   HD21  LEU  23          HD21      LEU  23  -4.117  -1.914  -4.782
  181   HD22  LEU  23          HD22      LEU  23  -3.700  -0.216  -4.945
  182   HD23  LEU  23          HD23      LEU  23  -3.717  -1.265  -6.386
  183    H    PHE  24           HN       PHE  24  -8.219  -2.172  -3.054
  184    HA   PHE  24           HA       PHE  24  -9.536  -3.380  -5.280
  185    HB2  PHE  24           HB2      PHE  24  -9.386  -4.150  -2.372
  186    HB3  PHE  24           HB1      PHE  24 -10.250  -5.100  -3.574
  187    HD1  PHE  24           HD2      PHE  24  -6.900  -3.634  -2.932
  188    HD2  PHE  24           HD1      PHE  24  -9.146  -6.785  -4.633
  189    HE1  PHE  24           HE2      PHE  24  -4.821  -4.801  -3.475
  190    HE2  PHE  24           HE1      PHE  24  -7.068  -7.971  -5.167
  191    HZ   PHE  24           HZ       PHE  24  -4.914  -6.993  -4.604
  192    H    GLU  25           HN       GLU  25 -10.566  -1.719  -2.381
  193    HA   GLU  25           HA       GLU  25 -13.315  -2.174  -2.444
  194    HB2  GLU  25           HB2      GLU  25 -12.040  -1.064  -0.605
  195    HB3  GLU  25           HB1      GLU  25 -11.887   0.358  -1.625
  196    HG2  GLU  25           HG2      GLU  25 -13.627   0.753  -0.068
  197    HG3  GLU  25           HG1      GLU  25 -14.364   0.523  -1.653
  198    H    GLU  26           HN       GLU  26 -11.416   0.426  -3.865
  199    HA   GLU  26           HA       GLU  26 -13.526   1.795  -5.109
  200    HB2  GLU  26           HB2      GLU  26 -11.298   2.726  -4.578
  201    HB3  GLU  26           HB1      GLU  26 -10.585   1.689  -5.797
  202    HG2  GLU  26           HG2      GLU  26 -10.809   3.971  -6.556
  203    HG3  GLU  26           HG1      GLU  26 -11.773   2.867  -7.528
  204    H    HIS  27           HN       HIS  27 -11.300  -0.692  -6.233
  205    HA   HIS  27           HA       HIS  27 -12.145  -0.750  -8.925
  206    HB2  HIS  27           HB2      HIS  27 -10.512  -2.540  -7.238
  207    HB3  HIS  27           HB1      HIS  27 -11.239  -3.257  -8.666
  208    HD1  HIS  27           HD1      HIS  27  -9.985  -2.958 -10.786
  209    HD2  HIS  27           HD2      HIS  27  -8.825  -0.214  -7.897
  210    HE1  HIS  27           HE1      HIS  27  -8.069  -1.729 -11.759
  211    HE2  HIS  27           HE2      HIS  27  -7.182  -0.373  -9.915
  212    H    LYS  28           HN       LYS  28 -13.204  -2.659  -6.127
  213    HA   LYS  28           HA       LYS  28 -14.983  -4.027  -5.743
  214    HB2  LYS  28           HB2      LYS  28 -15.999  -3.069  -8.434
  215    HB3  LYS  28           HB1      LYS  28 -16.934  -4.020  -7.297
  216    HG2  LYS  28           HG2      LYS  28 -17.054  -2.221  -5.752
  217    HG3  LYS  28           HG1      LYS  28 -15.853  -1.288  -6.648
  218    HD2  LYS  28           HD2      LYS  28 -18.547  -2.093  -7.737
  219    HD3  LYS  28           HD1      LYS  28 -18.207  -0.527  -7.004
  220    HE2  LYS  28           HE2      LYS  28 -16.879  -1.660  -9.490
  221    HE3  LYS  28           HE1      LYS  28 -18.098  -0.400  -9.438
  222    HZ1  LYS  28           HZ1      LYS  28 -16.556   1.006  -8.207
  223    HZ2  LYS  28           HZ2      LYS  28 -15.898   0.557  -9.678
  224    HZ3  LYS  28           HZ3      LYS  28 -15.353  -0.167  -8.273
  225    H    LYS  29           HN       LYS  29 -12.585  -4.573  -7.352
  226    HA   LYS  29           HA       LYS  29 -13.301  -7.158  -8.419
  227    HB2  LYS  29           HB2      LYS  29 -11.978  -4.958  -9.992
  228    HB3  LYS  29           HB1      LYS  29 -11.729  -6.654 -10.380
  229    HG2  LYS  29           HG2      LYS  29 -14.093  -6.947 -10.698
  230    HG3  LYS  29           HG1      LYS  29 -14.385  -5.258 -10.288
  231    HD2  LYS  29           HD2      LYS  29 -14.437  -5.802 -12.658
  232    HD3  LYS  29           HD1      LYS  29 -13.248  -4.532 -12.277
  233    HE2  LYS  29           HE2      LYS  29 -11.483  -6.316 -12.362
  234    HE3  LYS  29           HE1      LYS  29 -12.722  -7.475 -12.834
  235    HZ1  LYS  29           HZ1      LYS  29 -11.933  -5.059 -14.366
  236    HZ2  LYS  29           HZ2      LYS  29 -13.092  -6.184 -14.847
  237    HZ3  LYS  29           HZ3      LYS  29 -11.466  -6.635 -14.722
  238    HA   PRO  30           HA       PRO  30  -9.479  -8.036  -6.481
  239    HB2  PRO  30           HB2      PRO  30  -8.926 -10.467  -7.512
  240    HB3  PRO  30           HB1      PRO  30 -10.243 -10.177  -6.383
  241    HG2  PRO  30           HG2      PRO  30 -10.356 -10.636  -9.303
  242    HG3  PRO  30           HG1      PRO  30 -11.527 -11.063  -8.047
  243    HD2  PRO  30           HD2      PRO  30 -11.633  -8.847  -9.776
  244    HD3  PRO  30           HD1      PRO  30 -12.663  -9.105  -8.365
  245    H    VAL  31           HN       VAL  31  -7.369  -7.745  -6.796
  246    HA   VAL  31           HA       VAL  31  -6.448  -7.403  -9.546
  247    HB   VAL  31           HB       VAL  31  -5.621  -5.753  -7.131
  248   HG11  VAL  31          HG11      VAL  31  -5.008  -5.397 -10.051
  249   HG12  VAL  31          HG12      VAL  31  -3.883  -5.902  -8.794
  250   HG13  VAL  31          HG13      VAL  31  -4.563  -4.272  -8.770
  251   HG21  VAL  31          HG21      VAL  31  -7.926  -5.216  -7.696
  252   HG22  VAL  31          HG22      VAL  31  -7.475  -4.963  -9.382
  253   HG23  VAL  31          HG23      VAL  31  -6.863  -3.878  -8.134
  254    HA   PRO  32           HA       PRO  32  -3.359 -10.331  -8.082
  255    HB2  PRO  32           HB2      PRO  32  -1.565  -9.951 -10.123
  256    HB3  PRO  32           HB1      PRO  32  -2.979 -11.002 -10.254
  257    HG2  PRO  32           HG2      PRO  32  -2.591  -8.209 -11.215
  258    HG3  PRO  32           HG1      PRO  32  -3.412  -9.558 -12.008
  259    HD2  PRO  32           HD2      PRO  32  -4.759  -7.592 -10.761
  260    HD3  PRO  32           HD1      PRO  32  -5.339  -9.274 -10.784
  261    H    PHE  33           HN       PHE  33  -1.265 -10.250  -7.248
  262    HA   PHE  33           HA       PHE  33  -0.741  -8.173  -5.598
  263    HB2  PHE  33           HB2      PHE  33   0.162 -10.456  -5.381
  264    HB3  PHE  33           HB1      PHE  33   1.319 -10.099  -6.670
  265    HD1  PHE  33           HD1      PHE  33   0.380  -9.508  -3.190
  266    HD2  PHE  33           HD2      PHE  33   3.232  -8.692  -6.236
  267    HE1  PHE  33           HE1      PHE  33   1.939  -8.655  -1.496
  268    HE2  PHE  33           HE2      PHE  33   4.791  -7.836  -4.553
  269    HZ   PHE  33           HZ       PHE  33   4.148  -7.816  -2.175
  270    H    GLN  34           HN       GLN  34   1.171  -8.774  -8.555
  271    HA   GLN  34           HA       GLN  34   2.666  -6.430  -8.100
  272    HB2  GLN  34           HB2      GLN  34   2.623  -8.366 -10.329
  273    HB3  GLN  34           HB1      GLN  34   3.306  -6.780 -10.653
  274    HG2  GLN  34           HG2      GLN  34   4.185  -8.443  -8.314
  275    HG3  GLN  34           HG1      GLN  34   4.901  -8.611  -9.913
  276   HE21  GLN  34          HE21      GLN  34   3.891  -5.410  -8.798
  277   HE22  GLN  34          HE22      GLN  34   5.481  -4.824  -8.540
  278    H    GLU  35           HN       GLU  35  -0.306  -6.834  -9.746
  279    HA   GLU  35           HA       GLU  35  -0.033  -4.422 -11.250
  280    HB2  GLU  35           HB2      GLU  35  -2.414  -6.172 -10.696
  281    HB3  GLU  35           HB1      GLU  35  -2.458  -4.754 -11.732
  282    HG2  GLU  35           HG2      GLU  35  -0.758  -7.197 -12.160
  283    HG3  GLU  35           HG1      GLU  35  -2.227  -6.777 -13.045
  284    H    LEU  36           HN       LEU  36  -1.399  -5.387  -8.180
  285    HA   LEU  36           HA       LEU  36  -2.758  -2.936  -7.801
  286    HB2  LEU  36           HB2      LEU  36  -3.271  -3.677  -5.593
  287    HB3  LEU  36           HB1      LEU  36  -3.269  -5.112  -6.580
  288    HG   LEU  36           HG       LEU  36  -0.795  -5.312  -5.645
  289   HD11  LEU  36          HD11      LEU  36  -2.211  -3.750  -3.502
  290   HD12  LEU  36          HD12      LEU  36  -0.827  -3.214  -4.450
  291   HD13  LEU  36          HD13      LEU  36  -0.657  -4.565  -3.329
  292   HD21  LEU  36          HD21      LEU  36  -1.630  -6.768  -3.892
  293   HD22  LEU  36          HD22      LEU  36  -2.603  -6.964  -5.355
  294   HD23  LEU  36          HD23      LEU  36  -3.214  -6.014  -3.999
  295    H    LEU  37           HN       LEU  37   0.475  -4.064  -7.040
  296    HA   LEU  37           HA       LEU  37   1.291  -1.761  -5.631
  297    HB2  LEU  37           HB2      LEU  37   2.832  -3.844  -7.132
  298    HB3  LEU  37           HB1      LEU  37   3.650  -2.397  -6.597
  299    HG   LEU  37           HG       LEU  37   4.093  -4.144  -5.066
  300   HD11  LEU  37          HD11      LEU  37   3.829  -1.956  -4.071
  301   HD12  LEU  37          HD12      LEU  37   3.317  -3.220  -2.957
  302   HD13  LEU  37          HD13      LEU  37   2.110  -2.260  -3.808
  303   HD21  LEU  37          HD21      LEU  37   2.233  -5.616  -5.490
  304   HD22  LEU  37          HD22      LEU  37   1.129  -4.474  -4.727
  305   HD23  LEU  37          HD23      LEU  37   2.365  -5.285  -3.763
  306    H    ASN  38           HN       ASN  38   1.152  -2.464  -9.052
  307    HA   ASN  38           HA       ASN  38   2.479  -0.132  -9.917
  308    HB2  ASN  38           HB2      ASN  38   0.492  -1.932 -11.288
  309    HB3  ASN  38           HB1      ASN  38   1.074  -0.460 -12.064
  310   HD21  ASN  38          HD21      ASN  38   1.483  -3.251 -12.824
  311   HD22  ASN  38          HD22      ASN  38   3.182  -3.488 -12.840
  312    H    GLU  39           HN       GLU  39  -0.908  -0.737  -9.196
  313    HA   GLU  39           HA       GLU  39  -1.696   1.892  -9.908
  314    HB2  GLU  39           HB2      GLU  39  -3.109  -0.128  -8.186
  315    HB3  GLU  39           HB1      GLU  39  -3.811   1.383  -8.752
  316    HG2  GLU  39           HG2      GLU  39  -3.342   0.569 -11.092
  317    HG3  GLU  39           HG1      GLU  39  -2.976  -0.991 -10.370
  318    H    ILE  40           HN       ILE  40  -0.702   0.405  -6.880
  319    HA   ILE  40           HA       ILE  40  -1.225   2.642  -5.265
  320    HB   ILE  40           HB       ILE  40   0.952   0.536  -4.950
  321   HG12  ILE  40          HG12      ILE  40  -1.724   0.876  -3.569
  322   HG13  ILE  40          HG11      ILE  40  -1.342  -0.325  -4.794
  323   HG21  ILE  40          HG21      ILE  40   0.065   2.626  -2.948
  324   HG22  ILE  40          HG22      ILE  40   1.629   2.564  -3.762
  325   HG23  ILE  40          HG23      ILE  40   1.182   1.300  -2.615
  326   HD11  ILE  40          HD11      ILE  40  -1.352  -1.287  -2.562
  327   HD12  ILE  40          HD12      ILE  40  -0.106  -0.148  -2.055
  328   HD13  ILE  40          HD13      ILE  40   0.256  -1.365  -3.278
  329    H    ALA  41           HN       ALA  41   1.606   1.753  -7.165
  330    HA   ALA  41           HA       ALA  41   3.192   3.959  -6.489
  331    HB1  ALA  41           HB1      ALA  41   3.303   2.380  -9.057
  332    HB2  ALA  41           HB2      ALA  41   4.083   1.945  -7.530
  333    HB3  ALA  41           HB3      ALA  41   4.575   3.407  -8.378
  334    H    SER  42           HN       SER  42   0.626   3.691  -8.885
  335    HA   SER  42           HA       SER  42   1.396   6.175  -9.947
  336    HB2  SER  42           HB2      SER  42  -0.943   6.072 -11.086
  337    HB3  SER  42           HB1      SER  42   0.291   4.903 -11.551
  338    HG   SER  42           HG       SER  42  -0.998   3.412 -10.937
  339    H    LEU  43           HN       LEU  43  -1.050   5.242  -7.600
  340    HA   LEU  43           HA       LEU  43  -2.083   7.882  -7.226
  341    HB2  LEU  43           HB2      LEU  43  -2.125   5.519  -5.344
  342    HB3  LEU  43           HB1      LEU  43  -3.082   6.972  -5.152
  343    HG   LEU  43           HG       LEU  43  -3.345   4.976  -7.405
  344   HD11  LEU  43          HD11      LEU  43  -5.493   4.436  -6.371
  345   HD12  LEU  43          HD12      LEU  43  -5.118   5.527  -5.036
  346   HD13  LEU  43          HD13      LEU  43  -4.137   4.085  -5.299
  347   HD21  LEU  43          HD21      LEU  43  -4.965   7.445  -6.762
  348   HD22  LEU  43          HD22      LEU  43  -5.374   6.249  -7.991
  349   HD23  LEU  43          HD23      LEU  43  -3.913   7.221  -8.161
  350    H    LEU  44           HN       LEU  44   0.351   5.988  -5.617
  351    HA   LEU  44           HA       LEU  44   1.141   8.088  -3.796
  352    HB2  LEU  44           HB2      LEU  44   1.188   5.842  -2.965
  353    HB3  LEU  44           HB1      LEU  44   2.011   5.264  -4.388
  354    HG   LEU  44           HG       LEU  44   4.039   6.471  -3.633
  355   HD11  LEU  44          HD11      LEU  44   2.893   8.138  -2.214
  356   HD12  LEU  44          HD12      LEU  44   4.231   7.297  -1.446
  357   HD13  LEU  44          HD13      LEU  44   2.583   6.843  -1.041
  358   HD21  LEU  44          HD21      LEU  44   4.586   4.859  -1.879
  359   HD22  LEU  44          HD22      LEU  44   3.759   4.121  -3.250
  360   HD23  LEU  44          HD23      LEU  44   2.876   4.431  -1.751
  361    H    GLY  45           HN       GLY  45   2.202   9.707  -4.794
  362    HA2  GLY  45           HA2      GLY  45   3.645   9.492  -7.242
  363    HA3  GLY  45           HA1      GLY  45   3.694  10.862  -6.146
  364    H    VAL  46           HN       VAL  46   5.079   7.729  -6.839
  365    HA   VAL  46           HA       VAL  46   7.631   8.537  -5.616
  366    HB   VAL  46           HB       VAL  46   7.876   6.258  -4.660
  367   HG11  VAL  46          HG11      VAL  46   7.290   8.037  -3.189
  368   HG12  VAL  46          HG12      VAL  46   6.402   6.583  -2.718
  369   HG13  VAL  46          HG13      VAL  46   5.586   7.877  -3.601
  370   HG21  VAL  46          HG21      VAL  46   5.802   4.884  -4.323
  371   HG22  VAL  46          HG22      VAL  46   6.318   5.019  -6.002
  372   HG23  VAL  46          HG23      VAL  46   4.963   5.970  -5.443
  373    H    LYS  47           HN       LYS  47   9.153   6.533  -6.007
  374    HA   LYS  47           HA       LYS  47   8.992   5.679  -8.803
  375    HB2  LYS  47           HB2      LYS  47  11.052   5.218  -6.642
  376    HB3  LYS  47           HB1      LYS  47  11.196   4.671  -8.301
  377    HG2  LYS  47           HG2      LYS  47  11.302   6.957  -9.062
  378    HG3  LYS  47           HG1      LYS  47  11.083   7.534  -7.407
  379    HD2  LYS  47           HD2      LYS  47  13.317   5.699  -8.205
  380    HD3  LYS  47           HD1      LYS  47  13.505   7.455  -8.260
  381    HE2  LYS  47           HE2      LYS  47  12.954   5.700  -5.846
  382    HE3  LYS  47           HE1      LYS  47  14.420   6.604  -6.189
  383    HZ1  LYS  47           HZ1      LYS  47  11.761   7.694  -5.426
  384    HZ2  LYS  47           HZ2      LYS  47  13.001   8.673  -6.012
  385    HZ3  LYS  47           HZ3      LYS  47  13.205   7.822  -4.581
  386    H    LYS  48           HN       LYS  48   8.647   3.472  -9.259
  387    HA   LYS  48           HA       LYS  48   7.517   1.981  -7.179
  388    HB2  LYS  48           HB2      LYS  48   6.745   1.499  -9.434
  389    HB3  LYS  48           HB1      LYS  48   8.357   0.989  -9.919
  390    HG2  LYS  48           HG2      LYS  48   8.255  -0.966  -8.796
  391    HG3  LYS  48           HG1      LYS  48   7.050  -0.413  -7.645
  392    HD2  LYS  48           HD2      LYS  48   5.974  -2.007  -9.096
  393    HD3  LYS  48           HD1      LYS  48   5.375  -0.412  -9.533
  394    HE2  LYS  48           HE2      LYS  48   5.789  -1.644 -11.520
  395    HE3  LYS  48           HE1      LYS  48   7.012  -0.377 -11.391
  396    HZ1  LYS  48           HZ1      LYS  48   7.413  -3.223 -10.633
  397    HZ2  LYS  48           HZ2      LYS  48   8.602  -1.994 -10.641
  398    HZ3  LYS  48           HZ3      LYS  48   7.914  -2.519 -12.080
  399    H    GLU  49           HN       GLU  49  10.698   2.336  -8.200
  400    HA   GLU  49           HA       GLU  49  12.040   0.124  -7.192
  401    HB2  GLU  49           HB2      GLU  49  12.825   3.040  -7.247
  402    HB3  GLU  49           HB1      GLU  49  13.932   1.750  -6.829
  403    HG2  GLU  49           HG2      GLU  49  14.070   2.640  -9.160
  404    HG3  GLU  49           HG1      GLU  49  13.921   0.895  -9.052
  405    H    GLU  50           HN       GLU  50  11.300   3.172  -5.456
  406    HA   GLU  50           HA       GLU  50  12.299   2.250  -2.948
  407    HB2  GLU  50           HB2      GLU  50  11.340   4.316  -2.022
  408    HB3  GLU  50           HB1      GLU  50  12.198   4.656  -3.515
  409    HG2  GLU  50           HG2      GLU  50   9.983   4.619  -4.677
  410    HG3  GLU  50           HG1      GLU  50   9.225   4.513  -3.092
  411    H    LEU  51           HN       LEU  51   9.244   2.263  -4.563
  412    HA   LEU  51           HA       LEU  51   7.717   1.328  -2.369
  413    HB2  LEU  51           HB2      LEU  51   6.701   2.478  -4.303
  414    HB3  LEU  51           HB1      LEU  51   7.213   1.158  -5.336
  415    HG   LEU  51           HG       LEU  51   5.748  -0.366  -4.010
  416   HD11  LEU  51          HD11      LEU  51   5.559   0.894  -1.966
  417   HD12  LEU  51          HD12      LEU  51   3.962   0.614  -2.659
  418   HD13  LEU  51          HD13      LEU  51   4.727   2.195  -2.816
  419   HD21  LEU  51          HD21      LEU  51   4.407   1.948  -5.385
  420   HD22  LEU  51          HD22      LEU  51   3.672   0.377  -5.071
  421   HD23  LEU  51          HD23      LEU  51   5.054   0.503  -6.161
  422    H    GLY  52           HN       GLY  52   9.965  -0.038  -4.531
  423    HA2  GLY  52           HA2      GLY  52   9.062  -2.718  -4.657
  424    HA3  GLY  52           HA1      GLY  52  10.683  -2.132  -5.019
  425    H    ASP  53           HN       ASP  53  11.514  -1.066  -2.752
  426    HA   ASP  53           HA       ASP  53  12.054  -3.231  -1.023
  427    HB2  ASP  53           HB2      ASP  53  12.205  -0.250  -0.559
  428    HB3  ASP  53           HB1      ASP  53  12.563  -1.392   0.729
  429    H    ARG  54           HN       ARG  54   9.641  -0.756  -0.976
  430    HA   ARG  54           HA       ARG  54   8.455  -1.645   1.426
  431    HB2  ARG  54           HB2      ARG  54   8.251   0.668   0.299
  432    HB3  ARG  54           HB1      ARG  54   6.971  -0.069  -0.656
  433    HG2  ARG  54           HG2      ARG  54   5.720  -0.578   1.316
  434    HG3  ARG  54           HG1      ARG  54   7.015   0.014   2.353
  435    HD2  ARG  54           HD2      ARG  54   6.714   2.246   1.185
  436    HD3  ARG  54           HD1      ARG  54   5.219   1.583   0.513
  437    HE   ARG  54           HE       ARG  54   5.560   1.394   3.373
  438   HH11  ARG  54          HH11      ARG  54   4.071   3.242   0.755
  439   HH12  ARG  54          HH12      ARG  54   2.991   4.093   1.784
  440   HH21  ARG  54          HH21      ARG  54   4.101   2.570   4.762
  441   HH22  ARG  54          HH22      ARG  54   2.972   3.640   4.122
  442    H    ILE  55           HN       ILE  55   8.333  -2.922  -1.753
  443    HA   ILE  55           HA       ILE  55   5.811  -4.266  -1.584
  444    HB   ILE  55           HB       ILE  55   8.230  -4.799  -3.362
  445   HG12  ILE  55          HG12      ILE  55   5.545  -3.548  -3.948
  446   HG13  ILE  55          HG11      ILE  55   7.081  -2.722  -3.862
  447   HG21  ILE  55          HG21      ILE  55   7.044  -6.896  -3.068
  448   HG22  ILE  55          HG22      ILE  55   6.804  -6.288  -4.708
  449   HG23  ILE  55          HG23      ILE  55   5.523  -6.116  -3.504
  450   HD11  ILE  55          HD11      ILE  55   6.310  -4.772  -5.928
  451   HD12  ILE  55          HD12      ILE  55   7.870  -3.964  -5.832
  452   HD13  ILE  55          HD13      ILE  55   6.413  -3.029  -6.172
  453    H    ALA  56           HN       ALA  56   9.135  -4.998  -0.845
  454    HA   ALA  56           HA       ALA  56   8.736  -7.660  -0.006
  455    HB1  ALA  56           HB1      ALA  56  10.735  -5.606   0.979
  456    HB2  ALA  56           HB2      ALA  56  10.975  -6.719  -0.365
  457    HB3  ALA  56           HB3      ALA  56  10.844  -7.339   1.277
  458    H    GLN  57           HN       GLN  57   8.582  -4.559   1.674
  459    HA   GLN  57           HA       GLN  57   7.773  -5.476   4.202
  460    HB2  GLN  57           HB2      GLN  57   8.506  -3.143   3.759
  461    HB3  GLN  57           HB1      GLN  57   7.035  -2.874   2.845
  462    HG2  GLN  57           HG2      GLN  57   6.870  -1.912   5.073
  463    HG3  GLN  57           HG1      GLN  57   5.697  -3.210   4.860
  464   HE21  GLN  57          HE21      GLN  57   5.975  -5.124   6.007
  465   HE22  GLN  57          HE22      GLN  57   7.099  -5.226   7.336
  466    H    PHE  58           HN       PHE  58   6.017  -4.731   1.299
  467    HA   PHE  58           HA       PHE  58   3.442  -4.902   2.385
  468    HB2  PHE  58           HB2      PHE  58   4.045  -3.753   0.231
  469    HB3  PHE  58           HB1      PHE  58   4.245  -5.343  -0.487
  470    HD1  PHE  58           HD2      PHE  58   1.698  -3.476   1.505
  471    HD2  PHE  58           HD1      PHE  58   2.503  -6.154  -1.690
  472    HE1  PHE  58           HE2      PHE  58  -0.687  -3.532   0.963
  473    HE2  PHE  58           HE1      PHE  58   0.123  -6.218  -2.236
  474    HZ   PHE  58           HZ       PHE  58  -1.481  -4.907  -0.913
  475    H    TYR  59           HN       TYR  59   5.559  -7.292   0.876
  476    HA   TYR  59           HA       TYR  59   3.750  -9.408   0.887
  477    HB2  TYR  59           HB2      TYR  59   6.712  -9.260   0.977
  478    HB3  TYR  59           HB1      TYR  59   5.988 -10.768   1.517
  479    HD1  TYR  59           HD1      TYR  59   4.150 -11.727  -0.088
  480    HD2  TYR  59           HD2      TYR  59   7.220  -9.040  -1.290
  481    HE1  TYR  59           HE1      TYR  59   3.911 -12.511  -2.398
  482    HE2  TYR  59           HE2      TYR  59   6.984  -9.820  -3.618
  483    HH   TYR  59           HH       TYR  59   6.168 -11.855  -4.773
  484    H    THR  60           HN       THR  60   5.824  -8.227   3.477
  485    HA   THR  60           HA       THR  60   4.976 -10.136   5.374
  486    HB   THR  60           HB       THR  60   6.022  -7.340   5.875
  487    HG1  THR  60           HG1      THR  60   7.987  -8.099   5.389
  488   HG21  THR  60          HG21      THR  60   6.933  -8.333   7.927
  489   HG22  THR  60          HG22      THR  60   6.232  -9.894   7.499
  490   HG23  THR  60          HG23      THR  60   5.181  -8.526   7.876
  491    H    ASP  61           HN       ASP  61   3.959  -6.784   4.782
  492    HA   ASP  61           HA       ASP  61   2.170  -6.535   6.960
  493    HB2  ASP  61           HB2      ASP  61   3.355  -4.688   5.681
  494    HB3  ASP  61           HB1      ASP  61   2.165  -4.916   4.409
  495    H    LEU  62           HN       LEU  62   1.667  -7.307   3.559
  496    HA   LEU  62           HA       LEU  62  -1.171  -7.422   3.748
  497    HB2  LEU  62           HB2      LEU  62   0.018  -6.935   1.643
  498    HB3  LEU  62           HB1      LEU  62   0.686  -8.547   1.657
  499    HG   LEU  62           HG       LEU  62  -1.604  -9.465   1.425
  500   HD11  LEU  62          HD11      LEU  62  -2.365  -6.572   1.087
  501   HD12  LEU  62          HD12      LEU  62  -2.874  -7.648   2.391
  502   HD13  LEU  62          HD13      LEU  62  -3.403  -7.952   0.739
  503   HD21  LEU  62          HD21      LEU  62  -0.758  -7.495  -0.685
  504   HD22  LEU  62          HD22      LEU  62  -1.867  -8.849  -0.921
  505   HD23  LEU  62          HD23      LEU  62  -0.179  -9.152  -0.516
  506    H    ASN  63           HN       ASN  63   1.452  -9.731   4.110
  507    HA   ASN  63           HA       ASN  63  -0.128 -12.078   3.923
  508    HB2  ASN  63           HB2      ASN  63   2.352 -12.031   3.698
  509    HB3  ASN  63           HB1      ASN  63   2.465 -11.724   5.424
  510   HD21  ASN  63          HD21      ASN  63   1.664 -14.026   2.972
  511   HD22  ASN  63          HD22      ASN  63   1.707 -15.416   3.975
  512    H    ILE  64           HN       ILE  64   0.870 -10.080   6.668
  513    HA   ILE  64           HA       ILE  64  -0.570 -11.741   8.534
  514    HB   ILE  64           HB       ILE  64  -0.042  -9.997  10.216
  515   HG12  ILE  64          HG12      ILE  64   1.202  -8.519   7.873
  516   HG13  ILE  64          HG11      ILE  64  -0.193  -8.001   8.807
  517   HG21  ILE  64          HG21      ILE  64   2.410 -10.246  10.165
  518   HG22  ILE  64          HG22      ILE  64   2.304 -10.789   8.493
  519   HG23  ILE  64          HG23      ILE  64   1.584 -11.758   9.781
  520   HD11  ILE  64          HD11      ILE  64   2.639  -8.240   9.805
  521   HD12  ILE  64          HD12      ILE  64   1.258  -7.776  10.787
  522   HD13  ILE  64          HD13      ILE  64   1.773  -6.745   9.448
  523    H    ASP  65           HN       ASP  65  -1.204  -9.281   6.451
  524    HA   ASP  65           HA       ASP  65  -2.885  -8.161   5.682
  525    HB2  ASP  65           HB2      ASP  65  -4.973  -9.181   5.362
  526    HB3  ASP  65           HB1      ASP  65  -3.840 -10.509   5.492
  527    H    GLY  66           HN       GLY  66  -4.799  -6.999   5.940
  528    HA2  GLY  66           HA2      GLY  66  -5.372  -6.134   8.664
  529    HA3  GLY  66           HA1      GLY  66  -5.026  -4.942   7.374
  530    H    ARG  67           HN       ARG  67  -6.876  -7.857   7.855
  531    HA   ARG  67           HA       ARG  67  -9.017  -8.467   7.632
  532    HB2  ARG  67           HB2      ARG  67 -10.813  -6.938   7.755
  533    HB3  ARG  67           HB1      ARG  67  -9.513  -5.989   8.434
  534    HG2  ARG  67           HG2      ARG  67  -9.257  -5.053   6.032
  535    HG3  ARG  67           HG1      ARG  67 -10.870  -5.714   5.777
  536    HD2  ARG  67           HD2      ARG  67 -11.121  -3.438   6.423
  537    HD3  ARG  67           HD1      ARG  67 -11.606  -4.431   7.799
  538    HE   ARG  67           HE       ARG  67  -9.530  -3.927   8.851
  539   HH11  ARG  67          HH11      ARG  67 -10.402  -1.823   6.138
  540   HH12  ARG  67          HH12      ARG  67  -9.095  -0.747   6.372
  541   HH21  ARG  67          HH21      ARG  67  -7.824  -2.367   9.253
  542   HH22  ARG  67          HH22      ARG  67  -7.686  -1.014   8.189
  543    H    PHE  68           HN       PHE  68  -7.030  -8.487   5.716
  544    HA   PHE  68           HA       PHE  68  -8.333  -8.093   3.109
  545    HB2  PHE  68           HB2      PHE  68  -5.745  -7.659   4.021
  546    HB3  PHE  68           HB1      PHE  68  -5.621  -9.143   3.075
  547    HD1  PHE  68           HD1      PHE  68  -6.228  -9.111   0.669
  548    HD2  PHE  68           HD2      PHE  68  -6.096  -5.593   3.033
  549    HE1  PHE  68           HE1      PHE  68  -6.146  -7.734  -1.380
  550    HE2  PHE  68           HE2      PHE  68  -6.015  -4.228   1.011
  551    HZ   PHE  68           HZ       PHE  68  -6.036  -5.285  -1.195
  552    H    LEU  69           HN       LEU  69  -7.647  -9.918   1.468
  553    HA   LEU  69           HA       LEU  69  -7.690 -12.571   2.620
  554    HB2  LEU  69           HB2      LEU  69 -10.011 -11.964   2.653
  555    HB3  LEU  69           HB1      LEU  69  -9.920 -11.364   1.013
  556    HG   LEU  69           HG       LEU  69  -9.586 -13.668   0.218
  557   HD11  LEU  69          HD11      LEU  69 -10.011 -14.390   3.109
  558   HD12  LEU  69          HD12      LEU  69  -8.541 -14.642   2.168
  559   HD13  LEU  69          HD13      LEU  69 -10.011 -15.526   1.763
  560   HD21  LEU  69          HD21      LEU  69 -12.006 -13.286   1.962
  561   HD22  LEU  69          HD22      LEU  69 -11.859 -14.377   0.577
  562   HD23  LEU  69          HD23      LEU  69 -11.799 -12.633   0.338
  563    H    ALA  70           HN       ALA  70  -6.645 -13.971   1.245
  564    HA   ALA  70           HA       ALA  70  -6.131 -13.116  -1.484
  565    HB1  ALA  70           HB1      ALA  70  -4.569 -14.971  -1.617
  566    HB2  ALA  70           HB2      ALA  70  -5.154 -15.617  -0.108
  567    HB3  ALA  70           HB3      ALA  70  -4.234 -14.104  -0.111
  568    H    LEU  71           HN       LEU  71  -7.285 -13.973  -3.107
  569    HA   LEU  71           HA       LEU  71  -9.650 -15.315  -2.283
  570    HB2  LEU  71           HB2      LEU  71  -8.813 -14.509  -5.044
  571    HB3  LEU  71           HB1      LEU  71 -10.412 -15.050  -4.564
  572    HG   LEU  71           HG       LEU  71  -9.011 -12.536  -3.697
  573   HD11  LEU  71          HD11      LEU  71 -11.320 -13.061  -5.533
  574   HD12  LEU  71          HD12      LEU  71  -9.706 -12.482  -5.962
  575   HD13  LEU  71          HD13      LEU  71 -10.784 -11.473  -4.980
  576   HD21  LEU  71          HD21      LEU  71 -11.783 -13.530  -3.052
  577   HD22  LEU  71          HD22      LEU  71 -11.131 -11.937  -2.668
  578   HD23  LEU  71          HD23      LEU  71 -10.445 -13.371  -1.907
  579    H    SER  72           HN       SER  72  -8.045 -16.266  -5.315
  580    HA   SER  72           HA       SER  72  -8.829 -18.938  -4.479
  581    HB2  SER  72           HB2      SER  72  -9.946 -18.001  -6.462
  582    HB3  SER  72           HB1      SER  72  -8.385 -17.925  -7.270
  583    HG   SER  72           HG       SER  72  -8.341 -20.033  -7.475
  584    H    ASP  73           HN       ASP  73  -6.236 -17.597  -6.575
  585    HA   ASP  73           HA       ASP  73  -4.656 -19.837  -5.496
  586    HB2  ASP  73           HB2      ASP  73  -4.625 -18.807  -8.325
  587    HB3  ASP  73           HB1      ASP  73  -3.640 -20.116  -7.693
  588    H    GLN  74           HN       GLN  74  -4.710 -16.467  -6.146
  589    HA   GLN  74           HA       GLN  74  -2.138 -16.049  -4.932
  590    HB2  GLN  74           HB2      GLN  74  -2.361 -15.173  -7.848
  591    HB3  GLN  74           HB1      GLN  74  -1.055 -14.791  -6.757
  592    HG2  GLN  74           HG2      GLN  74  -0.006 -16.437  -7.848
  593    HG3  GLN  74           HG1      GLN  74  -0.918 -17.493  -6.776
  594   HE21  GLN  74          HE21      GLN  74  -3.427 -16.767  -8.231
  595   HE22  GLN  74          HE22      GLN  74  -3.403 -17.713  -9.661
  596    H    THR  75           HN       THR  75  -4.591 -14.689  -7.121
  597    HA   THR  75           HA       THR  75  -4.262 -12.033  -6.714
  598    HB   THR  75           HB       THR  75  -6.893 -13.410  -7.144
  599    HG1  THR  75           HG1      THR  75  -4.902 -13.030  -9.160
  600   HG21  THR  75          HG21      THR  75  -6.813 -10.933  -7.151
  601   HG22  THR  75          HG22      THR  75  -7.214 -11.579  -8.745
  602   HG23  THR  75          HG23      THR  75  -5.587 -10.989  -8.417
  603    H    TRP  76           HN       TRP  76  -4.926 -10.666  -5.155
  604    HA   TRP  76           HA       TRP  76  -6.186 -11.830  -2.834
  605    HB2  TRP  76           HB2      TRP  76  -4.757  -9.177  -3.224
  606    HB3  TRP  76           HB1      TRP  76  -5.533  -9.679  -1.726
  607    HD1  TRP  76           HD1      TRP  76  -2.567 -10.734  -3.999
  608    HE1  TRP  76           HE1      TRP  76  -0.822 -11.918  -2.547
  609    HE3  TRP  76           HE3      TRP  76  -5.101 -10.787   0.452
  610    HZ2  TRP  76           HZ2      TRP  76  -0.533 -12.778   0.194
  611    HZ3  TRP  76           HZ3      TRP  76  -4.018 -11.786   2.415
  612    HH2  TRP  76           HH2      TRP  76  -1.787 -12.756   2.277
  613    H    GLY  77           HN       GLY  77  -7.753 -10.295  -1.743
  614    HA2  GLY  77           HA2      GLY  77  -9.196  -8.526  -3.409
  615    HA3  GLY  77           HA1      GLY  77 -10.009 -10.081  -3.214
  616    H    LEU  78           HN       LEU  78 -11.611  -8.741  -2.194
  617    HA   LEU  78           HA       LEU  78 -10.792  -7.995   0.488
  618    HB2  LEU  78           HB2      LEU  78 -13.173  -7.025  -1.045
  619    HB3  LEU  78           HB1      LEU  78 -12.833  -6.615   0.620
  620    HG   LEU  78           HG       LEU  78 -11.285  -5.806  -1.826
  621   HD11  LEU  78          HD11      LEU  78 -12.763  -4.224   0.260
  622   HD12  LEU  78          HD12      LEU  78 -13.283  -4.526  -1.398
  623   HD13  LEU  78          HD13      LEU  78 -11.844  -3.553  -1.087
  624   HD21  LEU  78          HD21      LEU  78 -10.574  -5.367   1.077
  625   HD22  LEU  78          HD22      LEU  78  -9.797  -4.575  -0.287
  626   HD23  LEU  78          HD23      LEU  78  -9.659  -6.321  -0.095
  627    H    ARG  79           HN       ARG  79 -11.549  -8.763   2.096
  628    HA   ARG  79           HA       ARG  79 -12.889 -11.279   2.180
  629    HB2  ARG  79           HB2      ARG  79 -10.928 -10.391   3.483
  630    HB3  ARG  79           HB1      ARG  79 -12.021  -9.303   4.269
  631    HG2  ARG  79           HG2      ARG  79 -13.050 -11.087   5.467
  632    HG3  ARG  79           HG1      ARG  79 -12.144 -12.296   4.526
  633    HD2  ARG  79           HD2      ARG  79 -10.051 -11.373   5.269
  634    HD3  ARG  79           HD1      ARG  79 -10.872 -10.099   6.145
  635    HE   ARG  79           HE       ARG  79 -11.744 -12.469   7.220
  636   HH11  ARG  79          HH11      ARG  79  -8.561 -10.946   6.687
  637   HH12  ARG  79          HH12      ARG  79  -7.911 -11.419   8.172
  638   HH21  ARG  79          HH21      ARG  79 -10.816 -13.160   9.292
  639   HH22  ARG  79          HH22      ARG  79  -9.228 -12.713   9.707
  640    H    SER  80           HN       SER  80 -13.819  -8.106   2.011
  641    HA   SER  80           HA       SER  80 -16.171  -8.183   3.653
  642    HB2  SER  80           HB2      SER  80 -15.216  -6.075   1.735
  643    HB3  SER  80           HB1      SER  80 -16.341  -5.873   3.081
  644    HG   SER  80           HG       SER  80 -14.704  -5.933   4.496
  645    H    TRP  81           HN       TRP  81 -15.303  -8.697   0.265
  646    HA   TRP  81           HA       TRP  81 -17.951  -8.178  -0.784
  647    HB2  TRP  81           HB2      TRP  81 -15.684  -9.745  -2.029
  648    HB3  TRP  81           HB1      TRP  81 -17.160  -9.267  -2.844
  649    HD1  TRP  81           HD1      TRP  81 -17.166  -6.184  -1.953
  650    HE1  TRP  81           HE1      TRP  81 -15.432  -4.622  -3.029
  651    HE3  TRP  81           HE3      TRP  81 -13.757  -9.673  -3.450
  652    HZ2  TRP  81           HZ2      TRP  81 -12.952  -4.837  -4.342
  653    HZ3  TRP  81           HZ3      TRP  81 -11.732  -8.909  -4.623
  654    HH2  TRP  81           HH2      TRP  81 -11.347  -6.544  -5.061
  655    H    TYR  82           HN       TYR  82 -15.986 -11.008  -0.160
  656    HA   TYR  82           HA       TYR  82 -18.379 -12.590   0.105
  657    HB2  TYR  82           HB2      TYR  82 -16.275 -14.258  -0.861
  658    HB3  TYR  82           HB1      TYR  82 -17.817 -13.952  -1.624
  659    HD1  TYR  82           HD1      TYR  82 -14.380 -12.565  -1.315
  660    HD2  TYR  82           HD2      TYR  82 -17.844 -12.943  -3.726
  661    HE1  TYR  82           HE1      TYR  82 -13.159 -11.597  -3.160
  662    HE2  TYR  82           HE2      TYR  82 -16.645 -11.954  -5.633
  663    HH   TYR  82           HH       TYR  82 -13.284 -11.596  -5.657
  Start of MODEL   15
    1    H1   GLY   2           HT1      GLY   2 -11.418   6.260  -2.814
    2    H2   GLY   2           HT2      GLY   2 -11.455   7.953  -2.918
    3    H3   GLY   2           HT3      GLY   2 -12.136   7.178  -1.601
    4    HA2  GLY   2           HA1      GLY   2  -9.959   8.228  -1.159
    5    HA3  GLY   2           HA2      GLY   2 -10.008   6.469  -0.823
    6    H    ILE   3           HN       ILE   3  -7.864   8.338  -1.546
    7    HA   ILE   3           HA       ILE   3  -5.847   7.791  -2.217
    8    HB   ILE   3           HB       ILE   3  -7.234   5.238  -2.650
    9   HG12  ILE   3          HG12      ILE   3  -5.416   4.343  -1.244
   10   HG13  ILE   3          HG11      ILE   3  -4.646   5.923  -1.240
   11   HG21  ILE   3          HG21      ILE   3  -6.112   5.260  -4.677
   12   HG22  ILE   3          HG22      ILE   3  -5.359   4.083  -3.594
   13   HG23  ILE   3          HG23      ILE   3  -4.564   5.644  -3.908
   14   HD11  ILE   3          HD11      ILE   3  -6.598   6.825  -0.052
   15   HD12  ILE   3          HD12      ILE   3  -5.832   5.504   0.829
   16   HD13  ILE   3          HD13      ILE   3  -7.331   5.222  -0.062
   17    H    LYS   4           HN       LYS   4  -8.216   7.386  -4.869
   18    HA   LYS   4           HA       LYS   4  -6.072   7.641  -6.737
   19    HB2  LYS   4           HB2      LYS   4  -7.603   7.492  -8.574
   20    HB3  LYS   4           HB1      LYS   4  -7.926   6.237  -7.394
   21    HG2  LYS   4           HG2      LYS   4  -9.888   7.455  -6.639
   22    HG3  LYS   4           HG1      LYS   4  -9.515   8.772  -7.764
   23    HD2  LYS   4           HD2      LYS   4  -9.674   7.188  -9.646
   24    HD3  LYS   4           HD1      LYS   4 -10.093   5.907  -8.518
   25    HE2  LYS   4           HE2      LYS   4 -11.688   8.403  -9.077
   26    HE3  LYS   4           HE1      LYS   4 -12.080   6.770  -9.610
   27    HZ1  LYS   4           HZ1      LYS   4 -13.375   7.117  -7.729
   28    HZ2  LYS   4           HZ2      LYS   4 -12.171   7.916  -6.918
   29    HZ3  LYS   4           HZ3      LYS   4 -12.055   6.238  -7.107
   30    H    GLN   5           HN       GLN   5  -7.413  10.047  -5.094
   31    HA   GLN   5           HA       GLN   5  -6.310  11.850  -7.107
   32    HB2  GLN   5           HB2      GLN   5  -8.018  13.583  -6.472
   33    HB3  GLN   5           HB1      GLN   5  -8.642  12.212  -7.370
   34    HG2  GLN   5           HG2      GLN   5  -9.525  11.259  -5.398
   35    HG3  GLN   5           HG1      GLN   5  -8.865  12.527  -4.371
   36   HE21  GLN   5          HE21      GLN   5 -11.536  11.676  -4.722
   37   HE22  GLN   5          HE22      GLN   5 -12.467  13.045  -5.213
   38    H    TYR   6           HN       TYR   6  -5.307  10.608  -4.649
   39    HA   TYR   6           HA       TYR   6  -4.872  12.995  -3.023
   40    HB2  TYR   6           HB2      TYR   6  -4.214  10.101  -2.467
   41    HB3  TYR   6           HB1      TYR   6  -3.686  11.426  -1.444
   42    HD1  TYR   6           HD2      TYR   6  -6.509  12.873  -1.967
   43    HD2  TYR   6           HD1      TYR   6  -5.275   9.085  -0.529
   44    HE1  TYR   6           HE2      TYR   6  -8.625  12.672  -0.736
   45    HE2  TYR   6           HE1      TYR   6  -7.379   8.853   0.720
   46    HH   TYR   6           HH       TYR   6 -10.008  10.660   0.026
   47    H    SER   7           HN       SER   7  -2.806  13.556  -2.387
   48    HA   SER   7           HA       SER   7  -0.877  13.211  -4.545
   49    HB2  SER   7           HB2      SER   7  -0.835  15.064  -2.147
   50    HB3  SER   7           HB1      SER   7   0.268  15.119  -3.531
   51    HG   SER   7           HG       SER   7  -2.536  15.319  -3.821
   52    H    GLN   8           HN       GLN   8   1.532  13.066  -3.683
   53    HA   GLN   8           HA       GLN   8   1.743  10.482  -2.672
   54    HB2  GLN   8           HB2      GLN   8   4.154  10.800  -2.631
   55    HB3  GLN   8           HB1      GLN   8   3.459  11.460  -4.102
   56    HG2  GLN   8           HG2      GLN   8   3.552  13.657  -3.179
   57    HG3  GLN   8           HG1      GLN   8   4.226  13.040  -1.678
   58   HE21  GLN   8          HE21      GLN   8   6.116  14.001  -1.714
   59   HE22  GLN   8          HE22      GLN   8   7.361  13.753  -2.899
   60    H    GLU   9           HN       GLU   9   2.235  13.530  -0.926
   61    HA   GLU   9           HA       GLU   9   3.134  12.386   1.492
   62    HB2  GLU   9           HB2      GLU   9   1.903  15.015   0.783
   63    HB3  GLU   9           HB1      GLU   9   2.021  14.569   2.470
   64    HG2  GLU   9           HG2      GLU   9   3.923  15.924   1.846
   65    HG3  GLU   9           HG1      GLU   9   4.382  14.266   2.241
   66    H    GLU  10           HN       GLU  10   0.103  13.442   0.447
   67    HA   GLU  10           HA       GLU  10  -1.604  12.903   2.550
   68    HB2  GLU  10           HB2      GLU  10  -1.990  14.177   0.403
   69    HB3  GLU  10           HB1      GLU  10  -2.069  12.630  -0.401
   70    HG2  GLU  10           HG2      GLU  10  -4.166  12.181   0.562
   71    HG3  GLU  10           HG1      GLU  10  -3.953  13.431   1.798
   72    H    LEU  11           HN       LEU  11  -0.609  10.826  -0.108
   73    HA   LEU  11           HA       LEU  11  -2.076   8.512   0.635
   74    HB2  LEU  11           HB2      LEU  11   0.238   8.951  -1.208
   75    HB3  LEU  11           HB1      LEU  11  -0.540   7.391  -1.007
   76    HG   LEU  11           HG       LEU  11  -2.123   9.816  -1.799
   77   HD11  LEU  11          HD11      LEU  11  -0.304   9.610  -3.392
   78   HD12  LEU  11          HD12      LEU  11  -1.837   9.131  -4.118
   79   HD13  LEU  11          HD13      LEU  11  -0.676   7.901  -3.616
   80   HD21  LEU  11          HD21      LEU  11  -2.485   6.850  -2.179
   81   HD22  LEU  11          HD22      LEU  11  -3.575   8.093  -2.776
   82   HD23  LEU  11          HD23      LEU  11  -3.361   7.870  -1.039
   83    H    LYS  12           HN       LYS  12   1.255   9.543   1.300
   84    HA   LYS  12           HA       LYS  12   2.057   6.957   2.278
   85    HB2  LYS  12           HB2      LYS  12   4.199   7.972   2.829
   86    HB3  LYS  12           HB1      LYS  12   3.690   8.493   1.230
   87    HG2  LYS  12           HG2      LYS  12   2.873  10.591   2.223
   88    HG3  LYS  12           HG1      LYS  12   3.501  10.081   3.776
   89    HD2  LYS  12           HD2      LYS  12   5.048  11.629   2.709
   90    HD3  LYS  12           HD1      LYS  12   5.775  10.030   2.836
   91    HE2  LYS  12           HE2      LYS  12   5.398   9.597   0.512
   92    HE3  LYS  12           HE1      LYS  12   4.392  11.032   0.347
   93    HZ1  LYS  12           HZ1      LYS  12   7.261  11.085   1.057
   94    HZ2  LYS  12           HZ2      LYS  12   6.260  12.419   0.618
   95    HZ3  LYS  12           HZ3      LYS  12   6.672  11.262  -0.511
   96    H    GLU  13           HN       GLU  13   0.149   9.256   3.643
   97    HA   GLU  13           HA       GLU  13   1.076   8.881   6.351
   98    HB2  GLU  13           HB2      GLU  13  -1.376  10.277   5.269
   99    HB3  GLU  13           HB1      GLU  13  -0.892  10.268   6.963
  100    HG2  GLU  13           HG2      GLU  13   1.218  11.365   6.355
  101    HG3  GLU  13           HG1      GLU  13   0.700  11.387   4.675
  102    H    MET  14           HN       MET  14  -0.599   7.135   4.205
  103    HA   MET  14           HA       MET  14  -2.108   5.628   6.216
  104    HB2  MET  14           HB2      MET  14  -2.296   5.712   3.192
  105    HB3  MET  14           HB1      MET  14  -3.198   4.594   4.195
  106    HG2  MET  14           HG2      MET  14  -3.430   7.587   4.403
  107    HG3  MET  14           HG1      MET  14  -4.462   6.598   3.376
  108    HE1  MET  14           HE1      MET  14  -6.255   4.901   4.255
  109    HE2  MET  14           HE2      MET  14  -6.457   4.460   5.948
  110    HE3  MET  14           HE3      MET  14  -4.990   3.998   5.089
  111    H    ALA  15           HN       ALA  15  -1.476   3.482   6.488
  112    HA   ALA  15           HA       ALA  15   1.125   2.803   5.525
  113    HB1  ALA  15           HB1      ALA  15  -0.871   1.035   6.962
  114    HB2  ALA  15           HB2      ALA  15   0.328   2.065   7.739
  115    HB3  ALA  15           HB3      ALA  15   0.850   0.707   6.747
  116    H    LEU  16           HN       LEU  16   1.598   0.872   4.256
  117    HA   LEU  16           HA       LEU  16   0.183   1.115   1.882
  118    HB2  LEU  16           HB2      LEU  16   1.636  -0.676   0.911
  119    HB3  LEU  16           HB1      LEU  16   2.461   0.711   1.568
  120    HG   LEU  16           HG       LEU  16   2.288  -1.961   3.005
  121   HD11  LEU  16          HD11      LEU  16   4.472  -0.849   1.241
  122   HD12  LEU  16          HD12      LEU  16   3.410  -2.194   0.834
  123   HD13  LEU  16          HD13      LEU  16   4.555  -2.347   2.169
  124   HD21  LEU  16          HD21      LEU  16   4.297  -1.101   4.177
  125   HD22  LEU  16          HD22      LEU  16   2.884  -0.126   4.510
  126   HD23  LEU  16          HD23      LEU  16   4.101   0.447   3.360
  127    H    VAL  17           HN       VAL  17  -0.194  -1.369   4.301
  128    HA   VAL  17           HA       VAL  17  -1.874  -2.966   2.611
  129    HB   VAL  17           HB       VAL  17  -0.726  -3.841   4.713
  130   HG11  VAL  17          HG11      VAL  17  -2.989  -2.484   6.153
  131   HG12  VAL  17          HG12      VAL  17  -1.295  -2.034   6.244
  132   HG13  VAL  17          HG13      VAL  17  -1.824  -3.598   6.871
  133   HG21  VAL  17          HG21      VAL  17  -2.545  -5.373   5.334
  134   HG22  VAL  17          HG22      VAL  17  -2.406  -5.167   3.587
  135   HG23  VAL  17          HG23      VAL  17  -3.687  -4.341   4.472
  136    H    GLU  18           HN       GLU  18  -2.334  -0.211   4.604
  137    HA   GLU  18           HA       GLU  18  -5.169  -0.331   4.855
  138    HB2  GLU  18           HB2      GLU  18  -3.342   2.070   5.030
  139    HB3  GLU  18           HB1      GLU  18  -4.962   1.927   5.695
  140    HG2  GLU  18           HG2      GLU  18  -2.662   0.215   6.558
  141    HG3  GLU  18           HG1      GLU  18  -3.081   1.723   7.361
  142    H    ILE  19           HN       ILE  19  -2.860   1.326   2.778
  143    HA   ILE  19           HA       ILE  19  -4.618   2.764   1.120
  144    HB   ILE  19           HB       ILE  19  -1.946   1.503   0.376
  145   HG12  ILE  19          HG12      ILE  19  -2.582   4.319   1.292
  146   HG13  ILE  19          HG11      ILE  19  -1.815   3.079   2.278
  147   HG21  ILE  19          HG21      ILE  19  -3.454   3.726  -1.008
  148   HG22  ILE  19          HG22      ILE  19  -3.254   2.086  -1.615
  149   HG23  ILE  19          HG23      ILE  19  -1.848   3.141  -1.443
  150   HD11  ILE  19          HD11      ILE  19   0.099   3.061   0.749
  151   HD12  ILE  19          HD12      ILE  19  -0.185   4.665   1.425
  152   HD13  ILE  19          HD13      ILE  19  -0.679   4.306  -0.229
  153    H    ALA  20           HN       ALA  20  -3.272  -0.505   0.799
  154    HA   ALA  20           HA       ALA  20  -4.551  -1.196  -1.593
  155    HB1  ALA  20           HB1      ALA  20  -2.638  -2.430  -0.654
  156    HB2  ALA  20           HB2      ALA  20  -3.985  -3.497  -1.038
  157    HB3  ALA  20           HB3      ALA  20  -3.677  -3.035   0.638
  158    H    HIS  21           HN       HIS  21  -5.557  -1.560   1.769
  159    HA   HIS  21           HA       HIS  21  -7.936  -2.955   1.475
  160    HB2  HIS  21           HB2      HIS  21  -7.046  -2.414   3.670
  161    HB3  HIS  21           HB1      HIS  21  -7.248  -0.689   3.347
  162    HD1  HIS  21           HD1      HIS  21  -9.584   0.343   3.836
  163    HD2  HIS  21           HD2      HIS  21  -9.444  -3.804   4.287
  164    HE1  HIS  21           HE1      HIS  21 -11.720  -0.292   4.923
  165    HE2  HIS  21           HE2      HIS  21 -11.590  -2.760   5.297
  166    H    GLU  22           HN       GLU  22  -7.430   0.553   1.335
  167    HA   GLU  22           HA       GLU  22 -10.082   1.310   0.767
  168    HB2  GLU  22           HB2      GLU  22  -7.530   2.697  -0.047
  169    HB3  GLU  22           HB1      GLU  22  -9.119   3.437   0.074
  170    HG2  GLU  22           HG2      GLU  22  -7.467   2.343   2.339
  171    HG3  GLU  22           HG1      GLU  22  -7.781   4.039   1.985
  172    H    LEU  23           HN       LEU  23  -7.340   0.539  -1.206
  173    HA   LEU  23           HA       LEU  23  -8.174   1.222  -3.747
  174    HB2  LEU  23           HB2      LEU  23  -5.907   0.511  -2.948
  175    HB3  LEU  23           HB1      LEU  23  -6.482  -1.133  -2.931
  176    HG   LEU  23           HG       LEU  23  -6.643  -1.129  -5.391
  177   HD11  LEU  23          HD11      LEU  23  -5.665   1.719  -5.098
  178   HD12  LEU  23          HD12      LEU  23  -7.278   1.248  -5.645
  179   HD13  LEU  23          HD13      LEU  23  -5.864   0.839  -6.610
  180   HD21  LEU  23          HD21      LEU  23  -4.293  -0.910  -5.846
  181   HD22  LEU  23          HD22      LEU  23  -4.543  -1.664  -4.262
  182   HD23  LEU  23          HD23      LEU  23  -4.077   0.031  -4.369
  183    H    PHE  24           HN       PHE  24  -8.496  -1.892  -2.061
  184    HA   PHE  24           HA       PHE  24  -9.998  -3.040  -4.183
  185    HB2  PHE  24           HB2      PHE  24  -9.440  -4.011  -1.403
  186    HB3  PHE  24           HB1      PHE  24 -10.459  -4.901  -2.535
  187    HD1  PHE  24           HD2      PHE  24  -9.496  -5.371  -4.820
  188    HD2  PHE  24           HD1      PHE  24  -7.162  -4.298  -1.459
  189    HE1  PHE  24           HE2      PHE  24  -7.531  -6.300  -5.905
  190    HE2  PHE  24           HE1      PHE  24  -5.166  -5.227  -2.538
  191    HZ   PHE  24           HZ       PHE  24  -5.358  -6.242  -4.785
  192    H    GLU  25           HN       GLU  25 -10.899  -1.435  -1.232
  193    HA   GLU  25           HA       GLU  25 -13.619  -2.197  -1.358
  194    HB2  GLU  25           HB2      GLU  25 -12.611  -1.333   0.702
  195    HB3  GLU  25           HB1      GLU  25 -12.357   0.229  -0.063
  196    HG2  GLU  25           HG2      GLU  25 -14.290   0.275   1.413
  197    HG3  GLU  25           HG1      GLU  25 -14.759   0.538  -0.264
  198    H    GLU  26           HN       GLU  26 -11.791   0.413  -2.802
  199    HA   GLU  26           HA       GLU  26 -14.176   1.666  -3.766
  200    HB2  GLU  26           HB2      GLU  26 -12.125   2.984  -3.288
  201    HB3  GLU  26           HB1      GLU  26 -11.342   2.191  -4.648
  202    HG2  GLU  26           HG2      GLU  26 -12.898   3.119  -6.181
  203    HG3  GLU  26           HG1      GLU  26 -13.870   3.773  -4.869
  204    H    HIS  27           HN       HIS  27 -11.664  -0.377  -5.164
  205    HA   HIS  27           HA       HIS  27 -12.737  -0.320  -7.785
  206    HB2  HIS  27           HB2      HIS  27 -10.874  -2.292  -6.479
  207    HB3  HIS  27           HB1      HIS  27 -11.485  -2.550  -8.102
  208    HD1  HIS  27           HD1      HIS  27 -11.097   0.094  -9.463
  209    HD2  HIS  27           HD2      HIS  27  -8.339  -1.422  -6.747
  210    HE1  HIS  27           HE1      HIS  27  -8.922   1.169 -10.030
  211    HE2  HIS  27           HE2      HIS  27  -7.260   0.247  -8.446
  212    H    LYS  28           HN       LYS  28 -13.232  -2.549  -5.079
  213    HA   LYS  28           HA       LYS  28 -14.680  -4.167  -4.662
  214    HB2  LYS  28           HB2      LYS  28 -16.435  -2.750  -6.706
  215    HB3  LYS  28           HB1      LYS  28 -16.983  -3.958  -5.545
  216    HG2  LYS  28           HG2      LYS  28 -16.354  -2.505  -3.700
  217    HG3  LYS  28           HG1      LYS  28 -15.792  -1.290  -4.843
  218    HD2  LYS  28           HD2      LYS  28 -18.072  -1.102  -5.733
  219    HD3  LYS  28           HD1      LYS  28 -18.620  -2.295  -4.556
  220    HE2  LYS  28           HE2      LYS  28 -17.394   0.397  -3.921
  221    HE3  LYS  28           HE1      LYS  28 -19.102  -0.015  -3.793
  222    HZ1  LYS  28           HZ1      LYS  28 -18.101  -0.102  -1.645
  223    HZ2  LYS  28           HZ2      LYS  28 -16.866  -1.087  -2.116
  224    HZ3  LYS  28           HZ3      LYS  28 -18.456  -1.680  -2.087
  225    H    LYS  29           HN       LYS  29 -12.695  -4.489  -6.531
  226    HA   LYS  29           HA       LYS  29 -13.635  -6.764  -8.044
  227    HB2  LYS  29           HB2      LYS  29 -13.589  -4.877  -9.648
  228    HB3  LYS  29           HB1      LYS  29 -11.946  -4.493  -9.156
  229    HG2  LYS  29           HG2      LYS  29 -11.278  -6.780  -9.955
  230    HG3  LYS  29           HG1      LYS  29 -12.899  -6.924 -10.632
  231    HD2  LYS  29           HD2      LYS  29 -12.517  -5.033 -12.055
  232    HD3  LYS  29           HD1      LYS  29 -10.925  -4.756 -11.331
  233    HE2  LYS  29           HE2      LYS  29 -10.260  -7.036 -12.089
  234    HE3  LYS  29           HE1      LYS  29 -11.799  -7.165 -12.935
  235    HZ1  LYS  29           HZ1      LYS  29 -10.052  -6.492 -14.432
  236    HZ2  LYS  29           HZ2      LYS  29  -9.653  -5.194 -13.459
  237    HZ3  LYS  29           HZ3      LYS  29 -11.136  -5.207 -14.255
  238    HA   PRO  30           HA       PRO  30  -9.738  -8.034  -6.163
  239    HB2  PRO  30           HB2      PRO  30  -9.626 -10.339  -7.920
  240    HB3  PRO  30           HB1      PRO  30  -9.976 -10.268  -6.205
  241    HG2  PRO  30           HG2      PRO  30 -11.838 -10.915  -8.116
  242    HG3  PRO  30           HG1      PRO  30 -12.221 -10.273  -6.512
  243    HD2  PRO  30           HD2      PRO  30 -12.141  -8.895  -9.142
  244    HD3  PRO  30           HD1      PRO  30 -13.230  -8.654  -7.759
  245    H    VAL  31           HN       VAL  31  -7.649  -7.747  -6.699
  246    HA   VAL  31           HA       VAL  31  -7.000  -7.285  -9.515
  247    HB   VAL  31           HB       VAL  31  -6.191  -5.467  -7.193
  248   HG11  VAL  31          HG11      VAL  31  -5.211  -4.001  -8.876
  249   HG12  VAL  31          HG12      VAL  31  -5.581  -5.193 -10.123
  250   HG13  VAL  31          HG13      VAL  31  -4.435  -5.584  -8.842
  251   HG21  VAL  31          HG21      VAL  31  -8.063  -4.902  -9.494
  252   HG22  VAL  31          HG22      VAL  31  -7.541  -3.730  -8.285
  253   HG23  VAL  31          HG23      VAL  31  -8.526  -5.112  -7.806
  254    HA   PRO  32           HA       PRO  32  -3.582 -10.033  -8.534
  255    HB2  PRO  32           HB2      PRO  32  -2.186  -8.334 -10.550
  256    HB3  PRO  32           HB1      PRO  32  -2.305 -10.095 -10.460
  257    HG2  PRO  32           HG2      PRO  32  -3.743  -8.760 -12.233
  258    HG3  PRO  32           HG1      PRO  32  -4.442 -10.131 -11.352
  259    HD2  PRO  32           HD2      PRO  32  -4.872  -7.203 -10.941
  260    HD3  PRO  32           HD1      PRO  32  -6.016  -8.558 -10.810
  261    H    PHE  33           HN       PHE  33  -1.856  -9.945  -7.276
  262    HA   PHE  33           HA       PHE  33  -1.353  -8.061  -5.410
  263    HB2  PHE  33           HB2      PHE  33  -0.522 -10.383  -5.376
  264    HB3  PHE  33           HB1      PHE  33   0.634  -9.948  -6.644
  265    HD1  PHE  33           HD1      PHE  33  -0.259  -9.421  -3.105
  266    HD2  PHE  33           HD2      PHE  33   2.682  -8.931  -6.133
  267    HE1  PHE  33           HE1      PHE  33   1.403  -8.823  -1.395
  268    HE2  PHE  33           HE2      PHE  33   4.337  -8.328  -4.444
  269    HZ   PHE  33           HZ       PHE  33   3.705  -8.274  -2.062
  270    H    GLN  34           HN       GLN  34   0.453  -8.452  -8.400
  271    HA   GLN  34           HA       GLN  34   2.257  -6.330  -7.852
  272    HB2  GLN  34           HB2      GLN  34   2.840  -8.231  -9.261
  273    HB3  GLN  34           HB1      GLN  34   1.623  -7.746 -10.429
  274    HG2  GLN  34           HG2      GLN  34   3.795  -7.104 -11.215
  275    HG3  GLN  34           HG1      GLN  34   2.837  -5.678 -10.813
  276   HE21  GLN  34          HE21      GLN  34   3.503  -4.351  -9.158
  277   HE22  GLN  34          HE22      GLN  34   5.040  -4.537  -8.384
  278    H    GLU  35           HN       GLU  35  -0.903  -6.454  -9.329
  279    HA   GLU  35           HA       GLU  35  -0.491  -4.132 -10.960
  280    HB2  GLU  35           HB2      GLU  35  -2.830  -5.928 -10.422
  281    HB3  GLU  35           HB1      GLU  35  -2.978  -4.463 -11.381
  282    HG2  GLU  35           HG2      GLU  35  -1.036  -6.668 -11.999
  283    HG3  GLU  35           HG1      GLU  35  -2.657  -6.567 -12.686
  284    H    LEU  36           HN       LEU  36  -1.980  -4.993  -7.938
  285    HA   LEU  36           HA       LEU  36  -3.266  -2.525  -7.528
  286    HB2  LEU  36           HB2      LEU  36  -3.617  -3.247  -5.248
  287    HB3  LEU  36           HB1      LEU  36  -3.821  -4.629  -6.285
  288    HG   LEU  36           HG       LEU  36  -1.286  -5.054  -5.582
  289   HD11  LEU  36          HD11      LEU  36  -1.039  -3.063  -4.254
  290   HD12  LEU  36          HD12      LEU  36  -0.910  -4.501  -3.238
  291   HD13  LEU  36          HD13      LEU  36  -2.393  -3.545  -3.231
  292   HD21  LEU  36          HD21      LEU  36  -3.132  -6.620  -5.253
  293   HD22  LEU  36          HD22      LEU  36  -3.627  -5.722  -3.812
  294   HD23  LEU  36          HD23      LEU  36  -2.077  -6.553  -3.841
  295    H    LEU  37           HN       LEU  37  -0.061  -3.741  -6.825
  296    HA   LEU  37           HA       LEU  37   0.839  -1.521  -5.327
  297    HB2  LEU  37           HB2      LEU  37   2.285  -3.679  -6.833
  298    HB3  LEU  37           HB1      LEU  37   3.092  -2.488  -5.830
  299    HG   LEU  37           HG       LEU  37   0.994  -4.369  -4.759
  300   HD11  LEU  37          HD11      LEU  37   2.772  -5.717  -5.613
  301   HD12  LEU  37          HD12      LEU  37   2.924  -5.646  -3.852
  302   HD13  LEU  37          HD13      LEU  37   3.975  -4.670  -4.881
  303   HD21  LEU  37          HD21      LEU  37   2.012  -3.795  -2.607
  304   HD22  LEU  37          HD22      LEU  37   1.394  -2.362  -3.424
  305   HD23  LEU  37          HD23      LEU  37   3.126  -2.697  -3.425
  306    H    ASN  38           HN       ASN  38   0.911  -2.387  -8.716
  307    HA   ASN  38           HA       ASN  38   2.613  -0.346  -9.594
  308    HB2  ASN  38           HB2      ASN  38   0.416  -1.772 -11.113
  309    HB3  ASN  38           HB1      ASN  38   1.530  -0.624 -11.845
  310   HD21  ASN  38          HD21      ASN  38   1.190  -3.432 -12.500
  311   HD22  ASN  38          HD22      ASN  38   2.735  -4.140 -12.221
  312    H    GLU  39           HN       GLU  39  -0.928  -0.343  -9.256
  313    HA   GLU  39           HA       GLU  39  -0.993   2.324 -10.225
  314    HB2  GLU  39           HB2      GLU  39  -3.376   2.374  -9.576
  315    HB3  GLU  39           HB1      GLU  39  -2.968   1.003 -10.596
  316    HG2  GLU  39           HG2      GLU  39  -2.952  -0.408  -8.571
  317    HG3  GLU  39           HG1      GLU  39  -3.475   0.996  -7.637
  318    H    ILE  40           HN       ILE  40  -0.886   0.897  -7.020
  319    HA   ILE  40           HA       ILE  40  -1.219   3.244  -5.546
  320    HB   ILE  40           HB       ILE  40   0.527   0.832  -4.930
  321   HG12  ILE  40          HG12      ILE  40  -2.156   1.669  -3.814
  322   HG13  ILE  40          HG11      ILE  40  -1.912   0.444  -5.055
  323   HG21  ILE  40          HG21      ILE  40   0.608   1.615  -2.595
  324   HG22  ILE  40          HG22      ILE  40  -0.195   3.110  -3.076
  325   HG23  ILE  40          HG23      ILE  40   1.414   2.739  -3.691
  326   HD11  ILE  40          HD11      ILE  40  -0.654  -0.907  -3.472
  327   HD12  ILE  40          HD12      ILE  40  -2.283  -0.564  -2.889
  328   HD13  ILE  40          HD13      ILE  40  -0.903   0.315  -2.221
  329    H    ALA  41           HN       ALA  41   1.746   1.825  -6.854
  330    HA   ALA  41           HA       ALA  41   3.461   3.872  -6.011
  331    HB1  ALA  41           HB1      ALA  41   3.892   2.028  -8.353
  332    HB2  ALA  41           HB2      ALA  41   4.195   1.641  -6.655
  333    HB3  ALA  41           HB3      ALA  41   5.116   2.923  -7.435
  334    H    SER  42           HN       SER  42   1.460   3.647  -8.830
  335    HA   SER  42           HA       SER  42   2.735   5.888 -10.073
  336    HB2  SER  42           HB2      SER  42  -0.029   4.766 -10.617
  337    HB3  SER  42           HB1      SER  42   0.877   5.858 -11.663
  338    HG   SER  42           HG       SER  42   1.602   3.191 -10.961
  339    H    LEU  43           HN       LEU  43  -0.169   5.542  -8.098
  340    HA   LEU  43           HA       LEU  43  -0.880   8.300  -8.210
  341    HB2  LEU  43           HB2      LEU  43  -1.551   6.206  -6.134
  342    HB3  LEU  43           HB1      LEU  43  -2.360   7.750  -6.319
  343    HG   LEU  43           HG       LEU  43  -2.384   5.530  -8.368
  344   HD11  LEU  43          HD11      LEU  43  -4.474   6.382  -6.388
  345   HD12  LEU  43          HD12      LEU  43  -3.594   4.851  -6.409
  346   HD13  LEU  43          HD13      LEU  43  -4.725   5.237  -7.703
  347   HD21  LEU  43          HD21      LEU  43  -4.175   6.841  -9.413
  348   HD22  LEU  43          HD22      LEU  43  -2.651   7.723  -9.382
  349   HD23  LEU  43          HD23      LEU  43  -3.924   8.122  -8.226
  350    H    LEU  44           HN       LEU  44   0.736   6.289  -5.830
  351    HA   LEU  44           HA       LEU  44   1.515   8.449  -4.113
  352    HB2  LEU  44           HB2      LEU  44   1.042   6.295  -3.156
  353    HB3  LEU  44           HB1      LEU  44   2.126   5.501  -4.271
  354    HG   LEU  44           HG       LEU  44   4.016   6.670  -3.127
  355   HD11  LEU  44          HD11      LEU  44   2.804   8.495  -2.106
  356   HD12  LEU  44          HD12      LEU  44   3.654   7.544  -0.889
  357   HD13  LEU  44          HD13      LEU  44   1.913   7.358  -1.093
  358   HD21  LEU  44          HD21      LEU  44   3.496   4.353  -2.714
  359   HD22  LEU  44          HD22      LEU  44   2.313   4.803  -1.486
  360   HD23  LEU  44          HD23      LEU  44   4.028   5.127  -1.220
  361    H    GLY  45           HN       GLY  45   2.918   9.766  -4.977
  362    HA2  GLY  45           HA2      GLY  45   4.833   9.307  -6.962
  363    HA3  GLY  45           HA1      GLY  45   4.922  10.605  -5.789
  364    H    VAL  46           HN       VAL  46   5.700   7.208  -6.242
  365    HA   VAL  46           HA       VAL  46   8.271   7.606  -4.890
  366    HB   VAL  46           HB       VAL  46   8.102   5.307  -3.920
  367   HG11  VAL  46          HG11      VAL  46   5.985   7.232  -2.982
  368   HG12  VAL  46          HG12      VAL  46   7.668   7.165  -2.457
  369   HG13  VAL  46          HG13      VAL  46   6.568   5.845  -2.061
  370   HG21  VAL  46          HG21      VAL  46   6.428   4.352  -5.406
  371   HG22  VAL  46          HG22      VAL  46   5.215   5.470  -4.812
  372   HG23  VAL  46          HG23      VAL  46   5.864   4.227  -3.737
  373    H    LYS  47           HN       LYS  47   9.690   5.646  -5.397
  374    HA   LYS  47           HA       LYS  47   9.516   5.094  -8.283
  375    HB2  LYS  47           HB2      LYS  47  11.611   4.070  -6.365
  376    HB3  LYS  47           HB1      LYS  47  11.700   4.166  -8.104
  377    HG2  LYS  47           HG2      LYS  47  11.884   6.523  -8.028
  378    HG3  LYS  47           HG1      LYS  47  11.607   6.527  -6.278
  379    HD2  LYS  47           HD2      LYS  47  13.623   5.038  -6.083
  380    HD3  LYS  47           HD1      LYS  47  13.946   5.380  -7.779
  381    HE2  LYS  47           HE2      LYS  47  15.206   6.824  -6.238
  382    HE3  LYS  47           HE1      LYS  47  14.140   7.741  -7.311
  383    HZ1  LYS  47           HZ1      LYS  47  12.595   8.058  -5.546
  384    HZ2  LYS  47           HZ2      LYS  47  14.096   8.441  -4.897
  385    HZ3  LYS  47           HZ3      LYS  47  13.366   6.953  -4.548
  386    H    LYS  48           HN       LYS  48   9.689   2.881  -9.032
  387    HA   LYS  48           HA       LYS  48   8.051   1.097  -7.526
  388    HB2  LYS  48           HB2      LYS  48   8.166   1.106 -10.036
  389    HB3  LYS  48           HB1      LYS  48   9.791   0.443  -9.914
  390    HG2  LYS  48           HG2      LYS  48   8.504  -1.461 -10.252
  391    HG3  LYS  48           HG1      LYS  48   8.731  -1.375  -8.506
  392    HD2  LYS  48           HD2      LYS  48   6.425  -1.903  -8.728
  393    HD3  LYS  48           HD1      LYS  48   6.444  -0.176  -8.427
  394    HE2  LYS  48           HE2      LYS  48   6.183  -1.484 -11.149
  395    HE3  LYS  48           HE1      LYS  48   4.858  -0.841 -10.220
  396    HZ1  LYS  48           HZ1      LYS  48   5.906   1.388 -10.437
  397    HZ2  LYS  48           HZ2      LYS  48   5.491   0.677 -11.889
  398    HZ3  LYS  48           HZ3      LYS  48   7.092   0.706 -11.437
  399    H    GLU  49           HN       GLU  49  11.437   1.570  -8.076
  400    HA   GLU  49           HA       GLU  49  12.601  -0.773  -7.181
  401    HB2  GLU  49           HB2      GLU  49  13.712   2.002  -6.675
  402    HB3  GLU  49           HB1      GLU  49  14.618   0.510  -6.790
  403    HG2  GLU  49           HG2      GLU  49  15.042   1.504  -8.824
  404    HG3  GLU  49           HG1      GLU  49  13.704   0.436  -9.210
  405    H    GLU  50           HN       GLU  50  12.088   2.148  -5.262
  406    HA   GLU  50           HA       GLU  50  12.891   1.012  -2.799
  407    HB2  GLU  50           HB2      GLU  50  11.956   3.121  -1.826
  408    HB3  GLU  50           HB1      GLU  50  13.111   3.367  -3.126
  409    HG2  GLU  50           HG2      GLU  50  10.985   3.478  -4.629
  410    HG3  GLU  50           HG1      GLU  50  10.166   3.759  -3.113
  411    H    LEU  51           HN       LEU  51   9.760   1.439  -4.345
  412    HA   LEU  51           HA       LEU  51   8.365   0.529  -2.055
  413    HB2  LEU  51           HB2      LEU  51   7.346   1.959  -3.870
  414    HB3  LEU  51           HB1      LEU  51   7.419   0.522  -4.881
  415    HG   LEU  51           HG       LEU  51   5.928  -0.651  -3.275
  416   HD11  LEU  51          HD11      LEU  51   6.358   0.629  -1.278
  417   HD12  LEU  51          HD12      LEU  51   4.639   0.662  -1.665
  418   HD13  LEU  51          HD13      LEU  51   5.649   2.065  -2.017
  419   HD21  LEU  51          HD21      LEU  51   4.823   1.875  -4.483
  420   HD22  LEU  51          HD22      LEU  51   3.869   0.490  -3.949
  421   HD23  LEU  51          HD23      LEU  51   5.007   0.312  -5.284
  422    H    GLY  52           HN       GLY  52  10.149  -0.936  -4.564
  423    HA2  GLY  52           HA2      GLY  52   8.954  -3.497  -4.668
  424    HA3  GLY  52           HA1      GLY  52  10.609  -3.100  -5.121
  425    H    ASP  53           HN       ASP  53  11.561  -2.113  -2.815
  426    HA   ASP  53           HA       ASP  53  12.153  -4.384  -1.217
  427    HB2  ASP  53           HB2      ASP  53  13.623  -2.401  -1.312
  428    HB3  ASP  53           HB1      ASP  53  12.374  -1.433  -0.543
  429    H    ARG  54           HN       ARG  54   9.875  -1.774  -0.965
  430    HA   ARG  54           HA       ARG  54   8.677  -2.695   1.435
  431    HB2  ARG  54           HB2      ARG  54   8.108  -0.503  -0.423
  432    HB3  ARG  54           HB1      ARG  54   6.689  -1.161   0.385
  433    HG2  ARG  54           HG2      ARG  54   7.589   0.717   1.619
  434    HG3  ARG  54           HG1      ARG  54   7.746  -0.768   2.551
  435    HD2  ARG  54           HD2      ARG  54  10.118  -0.889   1.599
  436    HD3  ARG  54           HD1      ARG  54   9.849   0.756   1.077
  437    HE   ARG  54           HE       ARG  54   9.153   1.040   3.603
  438   HH11  ARG  54          HH11      ARG  54  12.074  -0.794   2.473
  439   HH12  ARG  54          HH12      ARG  54  12.955  -0.291   3.809
  440   HH21  ARG  54          HH21      ARG  54  10.363   1.575   5.314
  441   HH22  ARG  54          HH22      ARG  54  11.998   1.060   5.520
  442    H    ILE  55           HN       ILE  55   8.386  -3.799  -1.754
  443    HA   ILE  55           HA       ILE  55   5.786  -4.934  -1.472
  444    HB   ILE  55           HB       ILE  55   8.053  -5.609  -3.389
  445   HG12  ILE  55          HG12      ILE  55   5.458  -4.111  -3.781
  446   HG13  ILE  55          HG11      ILE  55   7.062  -3.421  -3.748
  447   HG21  ILE  55          HG21      ILE  55   5.241  -6.688  -3.415
  448   HG22  ILE  55          HG22      ILE  55   6.708  -7.610  -3.087
  449   HG23  ILE  55          HG23      ILE  55   6.435  -6.922  -4.691
  450   HD11  ILE  55          HD11      ILE  55   6.255  -3.579  -6.030
  451   HD12  ILE  55          HD12      ILE  55   6.010  -5.313  -5.844
  452   HD13  ILE  55          HD13      ILE  55   7.641  -4.649  -5.805
  453    H    ALA  56           HN       ALA  56   9.066  -5.970  -0.911
  454    HA   ALA  56           HA       ALA  56   8.546  -8.616  -0.095
  455    HB1  ALA  56           HB1      ALA  56  10.818  -7.794  -0.476
  456    HB2  ALA  56           HB2      ALA  56  10.661  -8.435   1.163
  457    HB3  ALA  56           HB3      ALA  56  10.659  -6.695   0.893
  458    H    GLN  57           HN       GLN  57   8.803  -5.616   1.741
  459    HA   GLN  57           HA       GLN  57   8.009  -6.575   4.249
  460    HB2  GLN  57           HB2      GLN  57   9.052  -4.302   3.743
  461    HB3  GLN  57           HB1      GLN  57   7.491  -3.791   3.138
  462    HG2  GLN  57           HG2      GLN  57   7.895  -4.747   5.966
  463    HG3  GLN  57           HG1      GLN  57   8.131  -3.073   5.495
  464   HE21  GLN  57          HE21      GLN  57   6.241  -4.437   7.284
  465   HE22  GLN  57          HE22      GLN  57   4.653  -3.972   6.839
  466    H    PHE  58           HN       PHE  58   6.170  -5.392   1.509
  467    HA   PHE  58           HA       PHE  58   3.644  -5.331   2.658
  468    HB2  PHE  58           HB2      PHE  58   4.285  -4.275   0.474
  469    HB3  PHE  58           HB1      PHE  58   4.279  -5.878  -0.241
  470    HD1  PHE  58           HD2      PHE  58   2.022  -3.699   1.779
  471    HD2  PHE  58           HD1      PHE  58   2.394  -6.488  -1.400
  472    HE1  PHE  58           HE2      PHE  58  -0.365  -3.425   1.270
  473    HE2  PHE  58           HE1      PHE  58   0.008  -6.224  -1.915
  474    HZ   PHE  58           HZ       PHE  58  -1.378  -4.690  -0.577
  475    H    TYR  59           HN       TYR  59   5.324  -7.997   0.958
  476    HA   TYR  59           HA       TYR  59   3.240  -9.869   1.008
  477    HB2  TYR  59           HB2      TYR  59   6.206 -10.258   1.341
  478    HB3  TYR  59           HB1      TYR  59   5.099 -11.610   1.451
  479    HD1  TYR  59           HD1      TYR  59   3.491 -11.880  -0.598
  480    HD2  TYR  59           HD2      TYR  59   7.149  -9.745  -0.675
  481    HE1  TYR  59           HE1      TYR  59   3.645 -12.237  -3.027
  482    HE2  TYR  59           HE2      TYR  59   7.308 -10.071  -3.100
  483    HH   TYR  59           HH       TYR  59   4.701 -11.265  -4.964
  484    H    THR  60           HN       THR  60   5.677  -9.212   3.445
  485    HA   THR  60           HA       THR  60   4.786 -10.978   5.391
  486    HB   THR  60           HB       THR  60   6.237  -8.348   5.608
  487    HG1  THR  60           HG1      THR  60   7.932  -9.455   4.970
  488   HG21  THR  60          HG21      THR  60   7.140  -9.276   7.727
  489   HG22  THR  60          HG22      THR  60   6.013 -10.637   7.596
  490   HG23  THR  60          HG23      THR  60   5.410  -8.981   7.777
  491    H    ASP  61           HN       ASP  61   4.145  -7.508   5.068
  492    HA   ASP  61           HA       ASP  61   2.565  -7.140   7.361
  493    HB2  ASP  61           HB2      ASP  61   3.789  -5.476   5.757
  494    HB3  ASP  61           HB1      ASP  61   2.270  -5.487   4.879
  495    H    LEU  62           HN       LEU  62   1.757  -7.875   4.045
  496    HA   LEU  62           HA       LEU  62  -1.066  -7.564   4.251
  497    HB2  LEU  62           HB2      LEU  62   0.296  -7.324   2.194
  498    HB3  LEU  62           HB1      LEU  62   0.594  -9.042   2.228
  499    HG   LEU  62           HG       LEU  62  -1.829  -9.419   1.918
  500   HD11  LEU  62          HD11      LEU  62  -3.179  -7.510   1.169
  501   HD12  LEU  62          HD12      LEU  62  -1.835  -6.426   1.534
  502   HD13  LEU  62          HD13      LEU  62  -2.637  -7.313   2.832
  503   HD21  LEU  62          HD21      LEU  62  -0.288  -9.465   0.048
  504   HD22  LEU  62          HD22      LEU  62  -0.450  -7.719  -0.146
  505   HD23  LEU  62          HD23      LEU  62  -1.834  -8.772  -0.437
  506    H    ASN  63           HN       ASN  63   1.175 -10.321   4.390
  507    HA   ASN  63           HA       ASN  63  -0.865 -12.289   4.296
  508    HB2  ASN  63           HB2      ASN  63   1.525 -12.710   3.691
  509    HB3  ASN  63           HB1      ASN  63   1.933 -12.611   5.398
  510   HD21  ASN  63          HD21      ASN  63   0.428 -14.483   2.923
  511   HD22  ASN  63          HD22      ASN  63   0.260 -15.946   3.829
  512    H    ILE  64           HN       ILE  64   0.585 -10.485   6.887
  513    HA   ILE  64           HA       ILE  64  -0.687 -12.158   8.887
  514    HB   ILE  64           HB       ILE  64   0.335 -10.663  10.567
  515   HG12  ILE  64          HG12      ILE  64   1.472  -9.188   8.171
  516   HG13  ILE  64          HG11      ILE  64   0.263  -8.561   9.281
  517   HG21  ILE  64          HG21      ILE  64   2.254 -11.650   8.457
  518   HG22  ILE  64          HG22      ILE  64   1.591 -12.588   9.794
  519   HG23  ILE  64          HG23      ILE  64   2.689 -11.245  10.116
  520   HD11  ILE  64          HD11      ILE  64   2.465  -7.630   9.724
  521   HD12  ILE  64          HD12      ILE  64   3.112  -9.252   9.975
  522   HD13  ILE  64          HD13      ILE  64   1.908  -8.601  11.086
  523    H    ASP  65           HN       ASP  65  -1.860  -9.931   6.884
  524    HA   ASP  65           HA       ASP  65  -3.435  -8.420   8.784
  525    HB2  ASP  65           HB2      ASP  65  -2.646  -7.285   6.733
  526    HB3  ASP  65           HB1      ASP  65  -3.523  -8.450   5.748
  527    H    GLY  66           HN       GLY  66  -5.652  -8.679   9.097
  528    HA2  GLY  66           HA2      GLY  66  -6.577 -11.349   8.315
  529    HA3  GLY  66           HA1      GLY  66  -7.123 -10.436   9.739
  530    H    ARG  67           HN       ARG  67  -7.023  -8.255   7.278
  531    HA   ARG  67           HA       ARG  67  -9.931  -8.362   6.893
  532    HB2  ARG  67           HB2      ARG  67  -7.905  -6.485   5.699
  533    HB3  ARG  67           HB1      ARG  67  -9.631  -6.243   5.826
  534    HG2  ARG  67           HG2      ARG  67  -9.486  -5.720   8.106
  535    HG3  ARG  67           HG1      ARG  67  -7.845  -6.387   8.234
  536    HD2  ARG  67           HD2      ARG  67  -7.013  -4.715   6.709
  537    HD3  ARG  67           HD1      ARG  67  -8.630  -4.076   6.492
  538    HE   ARG  67           HE       ARG  67  -8.515  -3.435   8.858
  539   HH11  ARG  67          HH11      ARG  67  -5.349  -4.202   7.402
  540   HH12  ARG  67          HH12      ARG  67  -4.662  -2.706   7.924
  541   HH21  ARG  67          HH21      ARG  67  -7.400  -1.433   9.629
  542   HH22  ARG  67          HH22      ARG  67  -5.784  -1.210   9.118
  543    H    PHE  68           HN       PHE  68  -6.858  -8.542   5.327
  544    HA   PHE  68           HA       PHE  68  -7.830  -8.815   2.722
  545    HB2  PHE  68           HB2      PHE  68  -5.219  -8.707   3.987
  546    HB3  PHE  68           HB1      PHE  68  -5.295  -9.704   2.534
  547    HD1  PHE  68           HD2      PHE  68  -5.785  -6.295   3.862
  548    HD2  PHE  68           HD1      PHE  68  -5.649  -8.785   0.424
  549    HE1  PHE  68           HE2      PHE  68  -5.704  -4.305   2.406
  550    HE2  PHE  68           HE1      PHE  68  -5.565  -6.833  -1.015
  551    HZ   PHE  68           HZ       PHE  68  -5.591  -4.611  -0.071
  552    H    LEU  69           HN       LEU  69  -7.543 -10.393   1.337
  553    HA   LEU  69           HA       LEU  69  -7.421 -13.091   2.315
  554    HB2  LEU  69           HB2      LEU  69  -9.695 -12.636   2.444
  555    HB3  LEU  69           HB1      LEU  69  -9.704 -11.695   0.975
  556    HG   LEU  69           HG       LEU  69  -9.450 -13.772  -0.322
  557   HD11  LEU  69          HD11      LEU  69  -9.721 -15.139   2.346
  558   HD12  LEU  69          HD12      LEU  69  -8.275 -15.120   1.337
  559   HD13  LEU  69          HD13      LEU  69  -9.738 -15.921   0.768
  560   HD21  LEU  69          HD21      LEU  69 -11.683 -14.553   0.052
  561   HD22  LEU  69          HD22      LEU  69 -11.612 -12.788   0.207
  562   HD23  LEU  69          HD23      LEU  69 -11.703 -13.806   1.645
  563    H    ALA  70           HN       ALA  70  -6.248 -14.256   0.738
  564    HA   ALA  70           HA       ALA  70  -5.659 -12.918  -1.776
  565    HB1  ALA  70           HB1      ALA  70  -4.056 -14.763  -2.105
  566    HB2  ALA  70           HB2      ALA  70  -4.586 -15.482  -0.594
  567    HB3  ALA  70           HB3      ALA  70  -3.751 -13.924  -0.579
  568    H    LEU  71           HN       LEU  71  -6.812 -13.446  -3.482
  569    HA   LEU  71           HA       LEU  71  -8.657 -15.606  -3.207
  570    HB2  LEU  71           HB2      LEU  71  -8.182 -14.017  -5.714
  571    HB3  LEU  71           HB1      LEU  71  -9.602 -14.926  -5.264
  572    HG   LEU  71           HG       LEU  71  -8.743 -12.203  -4.416
  573   HD11  LEU  71          HD11      LEU  71 -11.317 -13.373  -5.362
  574   HD12  LEU  71          HD12      LEU  71 -10.160 -12.427  -6.302
  575   HD13  LEU  71          HD13      LEU  71 -11.036 -11.683  -4.961
  576   HD21  LEU  71          HD21      LEU  71 -10.779 -13.858  -2.927
  577   HD22  LEU  71          HD22      LEU  71 -10.440 -12.131  -2.706
  578   HD23  LEU  71          HD23      LEU  71  -9.205 -13.331  -2.310
  579    H    SER  72           HN       SER  72  -8.670 -16.367  -5.922
  580    HA   SER  72           HA       SER  72  -7.650 -18.779  -5.722
  581    HB2  SER  72           HB2      SER  72  -7.862 -17.346  -8.314
  582    HB3  SER  72           HB1      SER  72  -8.196 -19.042  -7.955
  583    HG   SER  72           HG       SER  72  -9.791 -18.009  -6.335
  584    H    ASP  73           HN       ASP  73  -5.870 -16.386  -7.858
  585    HA   ASP  73           HA       ASP  73  -3.570 -18.190  -7.443
  586    HB2  ASP  73           HB2      ASP  73  -4.509 -18.721  -9.572
  587    HB3  ASP  73           HB1      ASP  73  -4.550 -17.032 -10.040
  588    H    GLN  74           HN       GLN  74  -4.466 -14.961  -7.235
  589    HA   GLN  74           HA       GLN  74  -1.839 -13.916  -7.000
  590    HB2  GLN  74           HB2      GLN  74  -1.414 -12.906  -9.100
  591    HB3  GLN  74           HB1      GLN  74  -1.848 -14.560  -9.440
  592    HG2  GLN  74           HG2      GLN  74  -3.559 -12.097  -9.906
  593    HG3  GLN  74           HG1      GLN  74  -2.747 -13.044 -11.127
  594   HE21  GLN  74          HE21      GLN  74  -4.577 -13.486 -12.312
  595   HE22  GLN  74          HE22      GLN  74  -5.877 -14.480 -11.735
  596    H    THR  75           HN       THR  75  -5.158 -13.477  -7.750
  597    HA   THR  75           HA       THR  75  -5.271 -10.694  -7.395
  598    HB   THR  75           HB       THR  75  -7.803 -11.466  -7.170
  599    HG1  THR  75           HG1      THR  75  -6.935 -13.581  -8.771
  600   HG21  THR  75          HG21      THR  75  -7.948 -11.466  -9.633
  601   HG22  THR  75          HG22      THR  75  -6.203 -11.688  -9.734
  602   HG23  THR  75          HG23      THR  75  -6.863 -10.196  -9.061
  603    H    TRP  76           HN       TRP  76  -5.082  -9.719  -5.431
  604    HA   TRP  76           HA       TRP  76  -5.945 -11.255  -3.139
  605    HB2  TRP  76           HB2      TRP  76  -4.210  -8.802  -3.448
  606    HB3  TRP  76           HB1      TRP  76  -4.961  -9.179  -1.904
  607    HD1  TRP  76           HD1      TRP  76  -2.391 -10.712  -4.390
  608    HE1  TRP  76           HE1      TRP  76  -0.772 -12.228  -3.016
  609    HE3  TRP  76           HE3      TRP  76  -4.656 -10.445   0.195
  610    HZ2  TRP  76           HZ2      TRP  76  -0.511 -13.161  -0.360
  611    HZ3  TRP  76           HZ3      TRP  76  -3.662 -11.665   2.082
  612    HH2  TRP  76           HH2      TRP  76  -1.637 -12.992   1.803
  613    H    GLY  77           HN       GLY  77  -7.270 -10.021  -1.572
  614    HA2  GLY  77           HA2      GLY  77  -8.638  -7.738  -2.496
  615    HA3  GLY  77           HA1      GLY  77  -9.590  -9.208  -2.707
  616    H    LEU  78           HN       LEU  78 -11.036  -8.484  -1.258
  617    HA   LEU  78           HA       LEU  78 -10.094  -8.247   1.511
  618    HB2  LEU  78           HB2      LEU  78 -12.581  -7.080   0.269
  619    HB3  LEU  78           HB1      LEU  78 -12.159  -6.976   1.964
  620    HG   LEU  78           HG       LEU  78 -10.640  -5.713  -0.319
  621   HD11  LEU  78          HD11      LEU  78 -12.765  -4.621   0.120
  622   HD12  LEU  78          HD12      LEU  78 -11.418  -3.605   0.637
  623   HD13  LEU  78          HD13      LEU  78 -12.361  -4.494   1.832
  624   HD21  LEU  78          HD21      LEU  78  -9.338  -4.600   1.449
  625   HD22  LEU  78          HD22      LEU  78  -9.122  -6.345   1.479
  626   HD23  LEU  78          HD23      LEU  78 -10.172  -5.567   2.666
  627    H    ARG  79           HN       ARG  79 -10.925  -9.509   3.000
  628    HA   ARG  79           HA       ARG  79 -12.302 -11.849   2.234
  629    HB2  ARG  79           HB2      ARG  79 -10.709 -11.875   4.049
  630    HB3  ARG  79           HB1      ARG  79 -11.607 -10.639   4.904
  631    HG2  ARG  79           HG2      ARG  79 -13.435 -12.192   5.247
  632    HG3  ARG  79           HG1      ARG  79 -12.543 -13.440   4.373
  633    HD2  ARG  79           HD2      ARG  79 -10.831 -13.445   5.961
  634    HD3  ARG  79           HD1      ARG  79 -11.458 -12.040   6.793
  635    HE   ARG  79           HE       ARG  79 -13.125 -14.449   6.603
  636   HH11  ARG  79          HH11      ARG  79 -11.280 -12.243   8.690
  637   HH12  ARG  79          HH12      ARG  79 -11.680 -13.061  10.124
  638   HH21  ARG  79          HH21      ARG  79 -13.688 -15.533   8.577
  639   HH22  ARG  79          HH22      ARG  79 -13.081 -14.971  10.065
  640    H    SER  80           HN       SER  80 -13.283  -8.731   3.198
  641    HA   SER  80           HA       SER  80 -15.691  -9.131   4.456
  642    HB2  SER  80           HB2      SER  80 -14.993  -6.887   2.574
  643    HB3  SER  80           HB1      SER  80 -16.045  -6.828   3.994
  644    HG   SER  80           HG       SER  80 -13.901  -6.012   4.350
  645    H    TRP  81           HN       TRP  81 -14.926  -9.762   1.127
  646    HA   TRP  81           HA       TRP  81 -17.671  -9.417   0.180
  647    HB2  TRP  81           HB2      TRP  81 -15.365 -10.658  -1.300
  648    HB3  TRP  81           HB1      TRP  81 -16.883 -10.102  -1.967
  649    HD1  TRP  81           HD1      TRP  81 -16.899  -7.126  -0.820
  650    HE1  TRP  81           HE1      TRP  81 -15.186  -5.444  -1.759
  651    HE3  TRP  81           HE3      TRP  81 -13.429 -10.443  -2.628
  652    HZ2  TRP  81           HZ2      TRP  81 -12.703  -5.513  -3.116
  653    HZ3  TRP  81           HZ3      TRP  81 -11.436  -9.547  -3.751
  654    HH2  TRP  81           HH2      TRP  81 -11.076  -7.141  -3.987
  655    H    TYR  82           HN       TYR  82 -15.557 -11.997   1.312
  656    HA   TYR  82           HA       TYR  82 -17.435 -14.000   0.220
  657    HB2  TYR  82           HB2      TYR  82 -14.452 -14.343   0.346
  658    HB3  TYR  82           HB1      TYR  82 -15.616 -15.386  -0.441
  659    HD1  TYR  82           HD1      TYR  82 -17.064 -13.802  -2.348
  660    HD2  TYR  82           HD2      TYR  82 -13.057 -13.321  -1.053
  661    HE1  TYR  82           HE1      TYR  82 -16.501 -12.755  -4.475
  662    HE2  TYR  82           HE2      TYR  82 -12.491 -12.266  -3.145
  663    HH   TYR  82           HH       TYR  82 -13.303 -12.232  -5.451
  Start of MODEL   16
    1    H1   GLY   2           HT1      GLY   2 -13.133   5.997  -2.874
    2    H2   GLY   2           HT2      GLY   2 -12.137   7.068  -2.016
    3    H3   GLY   2           HT3      GLY   2 -11.958   5.412  -1.778
    4    HA2  GLY   2           HA1      GLY   2 -11.209   5.255  -4.122
    5    HA3  GLY   2           HA2      GLY   2 -11.428   6.999  -4.200
    6    H    ILE   3           HN       ILE   3  -9.117   5.042  -4.296
    7    HA   ILE   3           HA       ILE   3  -7.598   6.183  -2.089
    8    HB   ILE   3           HB       ILE   3  -7.446   3.721  -2.411
    9   HG12  ILE   3          HG12      ILE   3  -4.976   3.525  -2.315
   10   HG13  ILE   3          HG11      ILE   3  -4.840   5.184  -2.885
   11   HG21  ILE   3          HG21      ILE   3  -6.181   2.788  -4.290
   12   HG22  ILE   3          HG22      ILE   3  -6.104   4.391  -5.020
   13   HG23  ILE   3          HG23      ILE   3  -7.662   3.591  -4.815
   14   HD11  ILE   3          HD11      ILE   3  -5.956   5.977  -0.862
   15   HD12  ILE   3          HD12      ILE   3  -4.527   5.030  -0.468
   16   HD13  ILE   3          HD13      ILE   3  -6.129   4.315  -0.301
   17    H    LYS   4           HN       LYS   4  -8.061   6.348  -5.469
   18    HA   LYS   4           HA       LYS   4  -5.609   7.599  -6.199
   19    HB2  LYS   4           HB2      LYS   4  -6.697   8.089  -8.332
   20    HB3  LYS   4           HB1      LYS   4  -7.018   6.432  -7.837
   21    HG2  LYS   4           HG2      LYS   4  -9.205   7.127  -6.991
   22    HG3  LYS   4           HG1      LYS   4  -8.898   8.763  -7.560
   23    HD2  LYS   4           HD2      LYS   4 -10.314   7.572  -9.138
   24    HD3  LYS   4           HD1      LYS   4  -8.745   7.907  -9.866
   25    HE2  LYS   4           HE2      LYS   4  -8.040   5.678  -9.620
   26    HE3  LYS   4           HE1      LYS   4  -9.363   5.291  -8.519
   27    HZ1  LYS   4           HZ1      LYS   4 -10.892   5.510 -10.303
   28    HZ2  LYS   4           HZ2      LYS   4  -9.684   4.420 -10.768
   29    HZ3  LYS   4           HZ3      LYS   4  -9.717   5.982 -11.403
   30    H    GLN   5           HN       GLN   5  -7.950   8.710  -4.284
   31    HA   GLN   5           HA       GLN   5  -8.210  11.451  -5.198
   32    HB2  GLN   5           HB2      GLN   5  -8.900  10.346  -2.485
   33    HB3  GLN   5           HB1      GLN   5  -9.574  11.763  -3.284
   34    HG2  GLN   5           HG2      GLN   5  -9.821   8.964  -4.129
   35    HG3  GLN   5           HG1      GLN   5 -11.105   9.861  -3.301
   36   HE21  GLN   5          HE21      GLN   5 -11.010   8.593  -5.924
   37   HE22  GLN   5          HE22      GLN   5 -11.373   9.833  -7.079
   38    H    TYR   6           HN       TYR   6  -6.183   9.530  -3.270
   39    HA   TYR   6           HA       TYR   6  -5.339  11.813  -1.775
   40    HB2  TYR   6           HB2      TYR   6  -4.650   8.903  -1.312
   41    HB3  TYR   6           HB1      TYR   6  -4.165  10.245  -0.309
   42    HD1  TYR   6           HD2      TYR   6  -5.775  11.512   1.016
   43    HD2  TYR   6           HD1      TYR   6  -7.016   8.069  -1.179
   44    HE1  TYR   6           HE2      TYR   6  -7.803  11.386   2.359
   45    HE2  TYR   6           HE1      TYR   6  -9.037   7.932   0.181
   46    HH   TYR   6           HH       TYR   6  -9.870   8.694   2.366
   47    H    SER   7           HN       SER   7  -2.849  11.862  -1.321
   48    HA   SER   7           HA       SER   7  -1.379  11.195  -3.772
   49    HB2  SER   7           HB2      SER   7  -1.048  13.618  -1.999
   50    HB3  SER   7           HB1      SER   7  -0.109  13.256  -3.445
   51    HG   SER   7           HG       SER   7  -2.820  13.949  -3.196
   52    H    GLN   8           HN       GLN   8   1.188  11.638  -3.093
   53    HA   GLN   8           HA       GLN   8   1.855   9.299  -1.686
   54    HB2  GLN   8           HB2      GLN   8   4.216  10.099  -1.781
   55    HB3  GLN   8           HB1      GLN   8   3.397  10.075  -3.333
   56    HG2  GLN   8           HG2      GLN   8   3.113  12.391  -3.318
   57    HG3  GLN   8           HG1      GLN   8   3.648  12.528  -1.644
   58   HE21  GLN   8          HE21      GLN   8   4.673  13.858  -3.972
   59   HE22  GLN   8          HE22      GLN   8   6.336  13.450  -4.093
   60    H    GLU   9           HN       GLU   9   1.934  12.663  -0.598
   61    HA   GLU   9           HA       GLU   9   3.213  12.343   1.836
   62    HB2  GLU   9           HB2      GLU   9   1.879  14.420   2.512
   63    HB3  GLU   9           HB1      GLU   9   2.888  14.544   1.083
   64    HG2  GLU   9           HG2      GLU   9   0.022  13.842   0.703
   65    HG3  GLU   9           HG1      GLU   9   0.420  15.497   1.143
   66    H    GLU  10           HN       GLU  10  -0.103  11.882   0.987
   67    HA   GLU  10           HA       GLU  10  -1.108  11.406   3.596
   68    HB2  GLU  10           HB2      GLU  10  -2.510  12.107   1.758
   69    HB3  GLU  10           HB1      GLU  10  -2.044  10.672   0.840
   70    HG2  GLU  10           HG2      GLU  10  -4.317  10.488   1.823
   71    HG3  GLU  10           HG1      GLU  10  -3.207   9.263   2.420
   72    H    LEU  11           HN       LEU  11  -0.354   9.373   0.852
   73    HA   LEU  11           HA       LEU  11  -0.870   6.892   1.954
   74    HB2  LEU  11           HB2      LEU  11   1.067   7.590  -0.223
   75    HB3  LEU  11           HB1      LEU  11   0.398   5.998   0.080
   76    HG   LEU  11           HG       LEU  11  -1.203   8.427  -0.709
   77   HD11  LEU  11          HD11      LEU  11   0.193   7.715  -2.493
   78   HD12  LEU  11          HD12      LEU  11  -1.487   7.314  -2.837
   79   HD13  LEU  11          HD13      LEU  11  -0.361   6.047  -2.328
   80   HD21  LEU  11          HD21      LEU  11  -2.017   5.546  -0.390
   81   HD22  LEU  11          HD22      LEU  11  -3.025   6.823  -1.065
   82   HD23  LEU  11          HD23      LEU  11  -2.528   6.897   0.624
   83    H    LYS  12           HN       LYS  12   2.179   8.723   2.086
   84    HA   LYS  12           HA       LYS  12   3.669   6.536   3.127
   85    HB2  LYS  12           HB2      LYS  12   5.377   8.208   3.781
   86    HB3  LYS  12           HB1      LYS  12   4.871   8.352   2.104
   87    HG2  LYS  12           HG2      LYS  12   3.653  10.309   2.543
   88    HG3  LYS  12           HG1      LYS  12   3.739  10.062   4.286
   89    HD2  LYS  12           HD2      LYS  12   5.281  11.824   3.518
   90    HD3  LYS  12           HD1      LYS  12   6.133  10.474   4.255
   91    HE2  LYS  12           HE2      LYS  12   6.632   9.603   2.000
   92    HE3  LYS  12           HE1      LYS  12   5.818  11.008   1.307
   93    HZ1  LYS  12           HZ1      LYS  12   8.257  11.215   1.443
   94    HZ2  LYS  12           HZ2      LYS  12   8.139  11.193   3.141
   95    HZ3  LYS  12           HZ3      LYS  12   7.427  12.438   2.251
   96    H    GLU  13           HN       GLU  13   1.546   8.821   4.583
   97    HA   GLU  13           HA       GLU  13   2.478   8.217   7.252
   98    HB2  GLU  13           HB2      GLU  13   1.814  10.504   6.591
   99    HB3  GLU  13           HB1      GLU  13   0.201   9.956   6.250
  100    HG2  GLU  13           HG2      GLU  13   0.280  11.107   8.343
  101    HG3  GLU  13           HG1      GLU  13  -0.085   9.406   8.640
  102    H    MET  14           HN       MET  14   0.139   7.212   4.950
  103    HA   MET  14           HA       MET  14  -1.706   5.955   6.754
  104    HB2  MET  14           HB2      MET  14  -1.231   5.667   3.794
  105    HB3  MET  14           HB1      MET  14  -2.334   4.620   4.653
  106    HG2  MET  14           HG2      MET  14  -3.625   6.635   5.311
  107    HG3  MET  14           HG1      MET  14  -2.549   7.591   4.289
  108    HE1  MET  14           HE1      MET  14  -4.971   8.375   3.160
  109    HE2  MET  14           HE2      MET  14  -5.873   7.163   4.069
  110    HE3  MET  14           HE3      MET  14  -6.024   7.242   2.314
  111    H    ALA  15           HN       ALA  15  -1.933   3.723   7.077
  112    HA   ALA  15           HA       ALA  15   0.482   2.212   7.105
  113    HB1  ALA  15           HB1      ALA  15  -2.424   1.463   7.518
  114    HB2  ALA  15           HB2      ALA  15  -1.249   1.808   8.785
  115    HB3  ALA  15           HB3      ALA  15  -1.083   0.357   7.799
  116    H    LEU  16           HN       LEU  16   1.170   0.895   5.494
  117    HA   LEU  16           HA       LEU  16   0.161   1.398   2.961
  118    HB2  LEU  16           HB2      LEU  16   1.771  -0.285   2.039
  119    HB3  LEU  16           HB1      LEU  16   2.474   0.995   2.993
  120    HG   LEU  16           HG       LEU  16   2.050  -1.814   4.081
  121   HD11  LEU  16          HD11      LEU  16   4.512  -0.609   2.815
  122   HD12  LEU  16          HD12      LEU  16   3.495  -1.835   2.073
  123   HD13  LEU  16          HD13      LEU  16   4.393  -2.210   3.546
  124   HD21  LEU  16          HD21      LEU  16   2.448  -0.087   5.802
  125   HD22  LEU  16          HD22      LEU  16   3.862   0.461   4.911
  126   HD23  LEU  16          HD23      LEU  16   3.844  -1.145   5.626
  127    H    VAL  17           HN       VAL  17  -0.545  -1.310   5.001
  128    HA   VAL  17           HA       VAL  17  -1.874  -2.808   3.005
  129    HB   VAL  17           HB       VAL  17  -1.131  -3.718   5.209
  130   HG11  VAL  17          HG11      VAL  17  -1.831  -1.956   6.693
  131   HG12  VAL  17          HG12      VAL  17  -2.560  -3.486   7.182
  132   HG13  VAL  17          HG13      VAL  17  -3.522  -2.283   6.324
  133   HG21  VAL  17          HG21      VAL  17  -4.034  -4.148   4.558
  134   HG22  VAL  17          HG22      VAL  17  -3.037  -5.222   5.537
  135   HG23  VAL  17          HG23      VAL  17  -2.665  -4.986   3.831
  136    H    GLU  18           HN       GLU  18  -2.822  -0.014   4.850
  137    HA   GLU  18           HA       GLU  18  -5.635  -0.382   4.493
  138    HB2  GLU  18           HB2      GLU  18  -4.060   2.035   5.362
  139    HB3  GLU  18           HB1      GLU  18  -5.813   1.998   5.270
  140    HG2  GLU  18           HG2      GLU  18  -4.046   0.345   7.053
  141    HG3  GLU  18           HG1      GLU  18  -5.166   1.624   7.535
  142    H    ILE  19           HN       ILE  19  -3.115   1.380   2.903
  143    HA   ILE  19           HA       ILE  19  -4.515   2.892   1.015
  144    HB   ILE  19           HB       ILE  19  -1.948   1.315   0.626
  145   HG12  ILE  19          HG12      ILE  19  -2.304   4.190   1.508
  146   HG13  ILE  19          HG11      ILE  19  -1.848   2.852   2.554
  147   HG21  ILE  19          HG21      ILE  19  -2.829   2.005  -1.514
  148   HG22  ILE  19          HG22      ILE  19  -1.389   2.950  -1.129
  149   HG23  ILE  19          HG23      ILE  19  -2.987   3.668  -0.950
  150   HD11  ILE  19          HD11      ILE  19   0.217   2.560   1.262
  151   HD12  ILE  19          HD12      ILE  19   0.085   4.184   1.944
  152   HD13  ILE  19          HD13      ILE  19  -0.254   3.912   0.235
  153    H    ALA  20           HN       ALA  20  -3.390  -0.425   0.913
  154    HA   ALA  20           HA       ALA  20  -4.480  -1.020  -1.611
  155    HB1  ALA  20           HB1      ALA  20  -2.569  -2.159  -0.632
  156    HB2  ALA  20           HB2      ALA  20  -3.824  -3.273  -1.177
  157    HB3  ALA  20           HB3      ALA  20  -3.640  -2.915   0.547
  158    H    HIS  21           HN       HIS  21  -5.769  -1.312   1.671
  159    HA   HIS  21           HA       HIS  21  -8.008  -2.939   1.030
  160    HB2  HIS  21           HB2      HIS  21  -7.862  -0.755   3.145
  161    HB3  HIS  21           HB1      HIS  21  -9.211  -1.871   2.897
  162    HD1  HIS  21           HD1      HIS  21  -7.113  -1.463   5.441
  163    HD2  HIS  21           HD2      HIS  21  -7.514  -4.664   2.813
  164    HE1  HIS  21           HE1      HIS  21  -6.167  -3.416   6.616
  165    HE2  HIS  21           HE2      HIS  21  -6.411  -5.345   5.098
  166    H    GLU  22           HN       GLU  22  -7.584   0.554   1.113
  167    HA   GLU  22           HA       GLU  22 -10.127   1.328   0.274
  168    HB2  GLU  22           HB2      GLU  22  -7.487   2.643  -0.287
  169    HB3  GLU  22           HB1      GLU  22  -9.046   3.441  -0.384
  170    HG2  GLU  22           HG2      GLU  22  -7.636   2.427   2.083
  171    HG3  GLU  22           HG1      GLU  22  -8.010   4.097   1.670
  172    H    LEU  23           HN       LEU  23  -7.214   0.580  -1.489
  173    HA   LEU  23           HA       LEU  23  -7.891   1.153  -4.113
  174    HB2  LEU  23           HB2      LEU  23  -5.674   0.540  -3.271
  175    HB3  LEU  23           HB1      LEU  23  -6.229  -1.087  -2.987
  176    HG   LEU  23           HG       LEU  23  -6.337  -1.491  -5.439
  177   HD11  LEU  23          HD11      LEU  23  -5.311   1.336  -5.624
  178   HD12  LEU  23          HD12      LEU  23  -6.942   0.827  -6.065
  179   HD13  LEU  23          HD13      LEU  23  -5.550   0.205  -6.954
  180   HD21  LEU  23          HD21      LEU  23  -3.831  -0.196  -4.471
  181   HD22  LEU  23          HD22      LEU  23  -3.963  -1.305  -5.841
  182   HD23  LEU  23          HD23      LEU  23  -4.298  -1.871  -4.193
  183    H    PHE  24           HN       PHE  24  -8.413  -1.822  -2.274
  184    HA   PHE  24           HA       PHE  24  -9.678  -3.019  -4.504
  185    HB2  PHE  24           HB2      PHE  24  -9.191  -4.033  -1.752
  186    HB3  PHE  24           HB1      PHE  24 -10.213  -4.912  -2.897
  187    HD1  PHE  24           HD1      PHE  24  -9.274  -5.210  -5.238
  188    HD2  PHE  24           HD2      PHE  24  -6.940  -4.366  -1.825
  189    HE1  PHE  24           HE1      PHE  24  -7.319  -6.051  -6.395
  190    HE2  PHE  24           HE2      PHE  24  -4.959  -5.213  -2.949
  191    HZ   PHE  24           HZ       PHE  24  -5.141  -6.066  -5.277
  192    H    GLU  25           HN       GLU  25 -10.942  -1.545  -1.571
  193    HA   GLU  25           HA       GLU  25 -13.545  -2.403  -2.351
  194    HB2  GLU  25           HB2      GLU  25 -12.763  -1.638   0.038
  195    HB3  GLU  25           HB1      GLU  25 -13.206  -0.037  -0.547
  196    HG2  GLU  25           HG2      GLU  25 -15.449  -0.861  -1.102
  197    HG3  GLU  25           HG1      GLU  25 -14.997  -2.442  -0.488
  198    H    GLU  26           HN       GLU  26 -11.525   0.201  -3.241
  199    HA   GLU  26           HA       GLU  26 -13.384   1.971  -4.391
  200    HB2  GLU  26           HB2      GLU  26 -11.033   2.593  -4.089
  201    HB3  GLU  26           HB1      GLU  26 -10.531   1.328  -5.197
  202    HG2  GLU  26           HG2      GLU  26 -11.739   2.507  -7.016
  203    HG3  GLU  26           HG1      GLU  26 -12.101   3.807  -5.884
  204    H    HIS  27           HN       HIS  27 -11.576  -0.738  -5.751
  205    HA   HIS  27           HA       HIS  27 -12.957  -0.453  -8.274
  206    HB2  HIS  27           HB2      HIS  27 -10.913  -2.484  -7.388
  207    HB3  HIS  27           HB1      HIS  27 -11.616  -2.427  -9.001
  208    HD1  HIS  27           HD1      HIS  27  -8.799  -1.206  -7.111
  209    HD2  HIS  27           HD2      HIS  27 -11.070   0.220 -10.285
  210    HE1  HIS  27           HE1      HIS  27  -7.390   0.509  -8.230
  211    HE2  HIS  27           HE2      HIS  27  -8.891   1.564  -9.908
  212    H    LYS  28           HN       LYS  28 -13.042  -2.655  -5.539
  213    HA   LYS  28           HA       LYS  28 -14.397  -4.300  -4.885
  214    HB2  LYS  28           HB2      LYS  28 -16.357  -3.266  -6.976
  215    HB3  LYS  28           HB1      LYS  28 -16.754  -4.275  -5.587
  216    HG2  LYS  28           HG2      LYS  28 -16.011  -2.448  -4.098
  217    HG3  LYS  28           HG1      LYS  28 -15.728  -1.450  -5.514
  218    HD2  LYS  28           HD2      LYS  28 -18.121  -1.663  -6.096
  219    HD3  LYS  28           HD1      LYS  28 -18.374  -2.565  -4.600
  220    HE2  LYS  28           HE2      LYS  28 -17.404   0.286  -4.854
  221    HE3  LYS  28           HE1      LYS  28 -18.975  -0.235  -4.261
  222    HZ1  LYS  28           HZ1      LYS  28 -17.815  -1.338  -2.392
  223    HZ2  LYS  28           HZ2      LYS  28 -17.533   0.317  -2.421
  224    HZ3  LYS  28           HZ3      LYS  28 -16.348  -0.734  -2.972
  225    H    LYS  29           HN       LYS  29 -12.416  -4.829  -6.682
  226    HA   LYS  29           HA       LYS  29 -13.369  -7.065  -8.225
  227    HB2  LYS  29           HB2      LYS  29 -11.667  -4.821  -9.381
  228    HB3  LYS  29           HB1      LYS  29 -12.074  -6.318 -10.195
  229    HG2  LYS  29           HG2      LYS  29 -14.099  -4.255  -9.346
  230    HG3  LYS  29           HG1      LYS  29 -13.375  -4.323 -10.948
  231    HD2  LYS  29           HD2      LYS  29 -14.717  -6.753  -9.843
  232    HD3  LYS  29           HD1      LYS  29 -15.709  -5.441 -10.453
  233    HE2  LYS  29           HE2      LYS  29 -15.336  -7.110 -12.187
  234    HE3  LYS  29           HE1      LYS  29 -14.567  -5.594 -12.623
  235    HZ1  LYS  29           HZ1      LYS  29 -12.439  -6.541 -11.960
  236    HZ2  LYS  29           HZ2      LYS  29 -13.201  -7.466 -13.127
  237    HZ3  LYS  29           HZ3      LYS  29 -13.200  -7.996 -11.536
  238    HA   PRO  30           HA       PRO  30  -9.440  -8.254  -6.337
  239    HB2  PRO  30           HB2      PRO  30  -9.396 -10.643  -7.973
  240    HB3  PRO  30           HB1      PRO  30  -9.713 -10.491  -6.250
  241    HG2  PRO  30           HG2      PRO  30 -11.616 -11.212  -8.069
  242    HG3  PRO  30           HG1      PRO  30 -11.977 -10.416  -6.531
  243    HD2  PRO  30           HD2      PRO  30 -11.817  -9.258  -9.275
  244    HD3  PRO  30           HD1      PRO  30 -12.953  -8.912  -7.945
  245    H    VAL  31           HN       VAL  31  -7.459  -7.701  -6.897
  246    HA   VAL  31           HA       VAL  31  -6.729  -7.735  -9.732
  247    HB   VAL  31           HB       VAL  31  -5.926  -5.590  -7.705
  248   HG11  VAL  31          HG11      VAL  31  -5.387  -5.730 -10.655
  249   HG12  VAL  31          HG12      VAL  31  -4.212  -5.938  -9.356
  250   HG13  VAL  31          HG13      VAL  31  -4.997  -4.376  -9.594
  251   HG21  VAL  31          HG21      VAL  31  -7.328  -4.041  -8.993
  252   HG22  VAL  31          HG22      VAL  31  -8.288  -5.355  -8.311
  253   HG23  VAL  31          HG23      VAL  31  -7.855  -5.375 -10.018
  254    HA   PRO  32           HA       PRO  32  -3.319 -10.345  -8.358
  255    HB2  PRO  32           HB2      PRO  32  -1.931  -8.825 -10.528
  256    HB3  PRO  32           HB1      PRO  32  -1.980 -10.569 -10.235
  257    HG2  PRO  32           HG2      PRO  32  -3.442  -9.515 -12.158
  258    HG3  PRO  32           HG1      PRO  32  -4.108 -10.797 -11.130
  259    HD2  PRO  32           HD2      PRO  32  -4.652  -7.867 -11.112
  260    HD3  PRO  32           HD1      PRO  32  -5.747  -9.230 -10.791
  261    H    PHE  33           HN       PHE  33  -1.653 -10.085  -6.995
  262    HA   PHE  33           HA       PHE  33  -1.263  -7.851  -5.497
  263    HB2  PHE  33           HB2      PHE  33  -0.574  -9.914  -4.661
  264    HB3  PHE  33           HB1      PHE  33   0.576 -10.214  -5.992
  265    HD1  PHE  33           HD1      PHE  33  -0.235  -8.346  -2.951
  266    HD2  PHE  33           HD2      PHE  33   2.807  -9.427  -5.705
  267    HE1  PHE  33           HE1      PHE  33   1.456  -7.523  -1.391
  268    HE2  PHE  33           HE2      PHE  33   4.512  -8.591  -4.151
  269    HZ   PHE  33           HZ       PHE  33   3.813  -7.628  -1.966
  270    H    GLN  34           HN       GLN  34   0.615  -8.786  -8.301
  271    HA   GLN  34           HA       GLN  34   2.519  -6.715  -8.097
  272    HB2  GLN  34           HB2      GLN  34   1.618  -8.332 -10.458
  273    HB3  GLN  34           HB1      GLN  34   3.025  -7.288 -10.466
  274    HG2  GLN  34           HG2      GLN  34   2.599  -9.669  -8.674
  275    HG3  GLN  34           HG1      GLN  34   3.612  -9.633 -10.116
  276   HE21  GLN  34          HE21      GLN  34   4.736  -7.028  -9.613
  277   HE22  GLN  34          HE22      GLN  34   5.809  -7.205  -8.276
  278    H    GLU  35           HN       GLU  35  -0.688  -6.800  -9.527
  279    HA   GLU  35           HA       GLU  35  -0.152  -4.550 -11.230
  280    HB2  GLU  35           HB2      GLU  35  -2.619  -6.214 -10.785
  281    HB3  GLU  35           HB1      GLU  35  -2.515  -4.880 -11.934
  282    HG2  GLU  35           HG2      GLU  35  -0.758  -7.323 -11.980
  283    HG3  GLU  35           HG1      GLU  35  -2.198  -7.097 -12.972
  284    H    LEU  36           HN       LEU  36  -1.785  -5.275  -8.255
  285    HA   LEU  36           HA       LEU  36  -3.122  -2.808  -8.004
  286    HB2  LEU  36           HB2      LEU  36  -3.535  -3.432  -5.705
  287    HB3  LEU  36           HB1      LEU  36  -3.650  -4.876  -6.674
  288    HG   LEU  36           HG       LEU  36  -1.141  -5.197  -5.864
  289   HD11  LEU  36          HD11      LEU  36  -2.315  -3.542  -3.647
  290   HD12  LEU  36          HD12      LEU  36  -0.976  -3.090  -4.704
  291   HD13  LEU  36          HD13      LEU  36  -0.798  -4.440  -3.588
  292   HD21  LEU  36          HD21      LEU  36  -2.981  -6.753  -5.433
  293   HD22  LEU  36          HD22      LEU  36  -3.493  -5.743  -4.077
  294   HD23  LEU  36          HD23      LEU  36  -1.939  -6.558  -4.020
  295    H    LEU  37           HN       LEU  37   0.057  -3.943  -7.155
  296    HA   LEU  37           HA       LEU  37   0.942  -1.655  -5.766
  297    HB2  LEU  37           HB2      LEU  37   2.365  -3.892  -7.157
  298    HB3  LEU  37           HB1      LEU  37   3.199  -2.633  -6.267
  299    HG   LEU  37           HG       LEU  37   1.089  -4.333  -4.974
  300   HD11  LEU  37          HD11      LEU  37   2.692  -5.871  -5.805
  301   HD12  LEU  37          HD12      LEU  37   3.018  -5.653  -4.079
  302   HD13  LEU  37          HD13      LEU  37   4.020  -4.849  -5.296
  303   HD21  LEU  37          HD21      LEU  37   3.401  -2.709  -3.919
  304   HD22  LEU  37          HD22      LEU  37   2.293  -3.670  -2.943
  305   HD23  LEU  37          HD23      LEU  37   1.696  -2.269  -3.830
  306    H    ASN  38           HN       ASN  38   0.898  -2.578  -9.123
  307    HA   ASN  38           HA       ASN  38   2.685  -0.586  -9.968
  308    HB2  ASN  38           HB2      ASN  38   0.677  -2.238 -11.489
  309    HB3  ASN  38           HB1      ASN  38   1.592  -0.959 -12.291
  310   HD21  ASN  38          HD21      ASN  38   1.758  -3.942 -12.666
  311   HD22  ASN  38          HD22      ASN  38   3.395  -4.300 -12.350
  312    H    GLU  39           HN       GLU  39  -0.844  -0.565  -9.744
  313    HA   GLU  39           HA       GLU  39  -0.887   2.112 -10.695
  314    HB2  GLU  39           HB2      GLU  39  -3.232   2.216  -9.989
  315    HB3  GLU  39           HB1      GLU  39  -2.896   0.813 -10.992
  316    HG2  GLU  39           HG2      GLU  39  -2.884  -0.555  -8.941
  317    HG3  GLU  39           HG1      GLU  39  -3.323   0.890  -8.021
  318    H    ILE  40           HN       ILE  40  -0.638   0.657  -7.540
  319    HA   ILE  40           HA       ILE  40  -0.943   2.990  -6.043
  320    HB   ILE  40           HB       ILE  40   0.755   0.545  -5.452
  321   HG12  ILE  40          HG12      ILE  40  -1.869   1.508  -4.299
  322   HG13  ILE  40          HG11      ILE  40  -1.680   0.219  -5.483
  323   HG21  ILE  40          HG21      ILE  40   1.746   2.446  -4.271
  324   HG22  ILE  40          HG22      ILE  40   0.954   1.357  -3.133
  325   HG23  ILE  40          HG23      ILE  40   0.170   2.866  -3.598
  326   HD11  ILE  40          HD11      ILE  40  -0.429  -1.083  -3.851
  327   HD12  ILE  40          HD12      ILE  40  -2.043  -0.672  -3.273
  328   HD13  ILE  40          HD13      ILE  40  -0.634   0.204  -2.659
  329    H    ALA  41           HN       ALA  41   2.026   1.617  -7.462
  330    HA   ALA  41           HA       ALA  41   3.742   3.629  -6.534
  331    HB1  ALA  41           HB1      ALA  41   5.327   2.925  -8.168
  332    HB2  ALA  41           HB2      ALA  41   4.078   2.051  -9.074
  333    HB3  ALA  41           HB3      ALA  41   4.546   1.523  -7.449
  334    H    SER  42           HN       SER  42   1.689   3.590  -9.330
  335    HA   SER  42           HA       SER  42   2.735   6.108 -10.245
  336    HB2  SER  42           HB2      SER  42   1.639   4.500 -11.816
  337    HB3  SER  42           HB1      SER  42   0.111   4.769 -10.988
  338    HG   SER  42           HG       SER  42   0.611   7.108 -11.569
  339    H    LEU  43           HN       LEU  43  -0.113   5.261  -8.353
  340    HA   LEU  43           HA       LEU  43  -1.022   7.942  -8.224
  341    HB2  LEU  43           HB2      LEU  43  -2.398   5.847  -7.959
  342    HB3  LEU  43           HB1      LEU  43  -1.673   5.627  -6.389
  343    HG   LEU  43           HG       LEU  43  -4.017   6.558  -6.475
  344   HD11  LEU  43          HD11      LEU  43  -1.932   8.159  -5.007
  345   HD12  LEU  43          HD12      LEU  43  -2.713   6.677  -4.446
  346   HD13  LEU  43          HD13      LEU  43  -3.659   8.153  -4.646
  347   HD21  LEU  43          HD21      LEU  43  -3.727   8.119  -8.310
  348   HD22  LEU  43          HD22      LEU  43  -2.562   9.047  -7.365
  349   HD23  LEU  43          HD23      LEU  43  -4.243   8.981  -6.862
  350    H    LEU  44           HN       LEU  44   0.841   5.906  -6.108
  351    HA   LEU  44           HA       LEU  44   1.365   7.892  -4.087
  352    HB2  LEU  44           HB2      LEU  44   1.366   5.233  -4.041
  353    HB3  LEU  44           HB1      LEU  44   2.960   5.409  -4.706
  354    HG   LEU  44           HG       LEU  44   1.995   6.189  -1.965
  355   HD11  LEU  44          HD11      LEU  44   3.720   4.561  -1.267
  356   HD12  LEU  44          HD12      LEU  44   3.982   4.185  -2.981
  357   HD13  LEU  44          HD13      LEU  44   2.424   3.865  -2.243
  358   HD21  LEU  44          HD21      LEU  44   4.255   6.939  -1.459
  359   HD22  LEU  44          HD22      LEU  44   3.582   7.905  -2.779
  360   HD23  LEU  44          HD23      LEU  44   4.740   6.619  -3.122
  361    H    GLY  45           HN       GLY  45   2.541   9.509  -4.775
  362    HA2  GLY  45           HA2      GLY  45   4.103   9.745  -7.090
  363    HA3  GLY  45           HA1      GLY  45   4.238  10.812  -5.716
  364    H    VAL  46           HN       VAL  46   5.241   7.516  -6.568
  365    HA   VAL  46           HA       VAL  46   8.025   8.150  -5.974
  366    HB   VAL  46           HB       VAL  46   8.321   5.933  -4.851
  367   HG11  VAL  46          HG11      VAL  46   8.160   7.862  -3.450
  368   HG12  VAL  46          HG12      VAL  46   7.323   6.515  -2.675
  369   HG13  VAL  46          HG13      VAL  46   6.403   7.790  -3.479
  370   HG21  VAL  46          HG21      VAL  46   5.300   5.827  -4.931
  371   HG22  VAL  46          HG22      VAL  46   6.314   4.737  -3.979
  372   HG23  VAL  46          HG23      VAL  46   6.417   4.736  -5.742
  373    H    LYS  47           HN       LYS  47   9.105   5.702  -6.488
  374    HA   LYS  47           HA       LYS  47   7.936   4.958  -9.037
  375    HB2  LYS  47           HB2      LYS  47  10.254   4.382  -9.857
  376    HB3  LYS  47           HB1      LYS  47   9.885   6.084  -9.679
  377    HG2  LYS  47           HG2      LYS  47  11.147   6.133  -7.590
  378    HG3  LYS  47           HG1      LYS  47  11.534   4.423  -7.797
  379    HD2  LYS  47           HD2      LYS  47  12.725   4.871  -9.827
  380    HD3  LYS  47           HD1      LYS  47  12.215   6.559  -9.812
  381    HE2  LYS  47           HE2      LYS  47  14.545   6.323  -9.081
  382    HE3  LYS  47           HE1      LYS  47  13.533   6.936  -7.782
  383    HZ1  LYS  47           HZ1      LYS  47  15.114   5.219  -7.099
  384    HZ2  LYS  47           HZ2      LYS  47  14.329   4.101  -8.093
  385    HZ3  LYS  47           HZ3      LYS  47  13.502   4.842  -6.764
  386    H    LYS  48           HN       LYS  48   8.352   2.888  -9.799
  387    HA   LYS  48           HA       LYS  48   7.349   0.899  -8.244
  388    HB2  LYS  48           HB2      LYS  48   7.299   0.883 -10.622
  389    HB3  LYS  48           HB1      LYS  48   9.043   0.783 -10.712
  390    HG2  LYS  48           HG2      LYS  48   8.177  -1.353 -11.263
  391    HG3  LYS  48           HG1      LYS  48   8.902  -1.405  -9.652
  392    HD2  LYS  48           HD2      LYS  48   6.811  -1.563  -8.575
  393    HD3  LYS  48           HD1      LYS  48   5.932  -1.023 -10.007
  394    HE2  LYS  48           HE2      LYS  48   6.301  -3.033 -11.134
  395    HE3  LYS  48           HE1      LYS  48   7.507  -3.607  -9.954
  396    HZ1  LYS  48           HZ1      LYS  48   4.595  -3.267  -9.728
  397    HZ2  LYS  48           HZ2      LYS  48   5.600  -3.680  -8.388
  398    HZ3  LYS  48           HZ3      LYS  48   5.474  -4.715  -9.721
  399    H    GLU  49           HN       GLU  49  10.775   1.625  -8.654
  400    HA   GLU  49           HA       GLU  49  11.898  -0.826  -7.786
  401    HB2  GLU  49           HB2      GLU  49  13.080   1.902  -7.410
  402    HB3  GLU  49           HB1      GLU  49  13.937   0.374  -7.529
  403    HG2  GLU  49           HG2      GLU  49  13.246   0.139  -9.822
  404    HG3  GLU  49           HG1      GLU  49  12.326   1.642  -9.711
  405    H    GLU  50           HN       GLU  50  11.448   2.192  -6.033
  406    HA   GLU  50           HA       GLU  50  12.321   1.125  -3.545
  407    HB2  GLU  50           HB2      GLU  50  11.442   3.318  -2.666
  408    HB3  GLU  50           HB1      GLU  50  12.684   3.414  -3.908
  409    HG2  GLU  50           HG2      GLU  50  10.522   3.508  -5.474
  410    HG3  GLU  50           HG1      GLU  50   9.845   4.199  -3.999
  411    H    LEU  51           HN       LEU  51   9.251   1.518  -5.125
  412    HA   LEU  51           HA       LEU  51   7.771   0.739  -2.859
  413    HB2  LEU  51           HB2      LEU  51   6.670   1.822  -4.789
  414    HB3  LEU  51           HB1      LEU  51   7.031   0.412  -5.774
  415    HG   LEU  51           HG       LEU  51   5.676  -0.954  -4.154
  416   HD11  LEU  51          HD11      LEU  51   4.815   1.734  -3.141
  417   HD12  LEU  51          HD12      LEU  51   5.687   0.482  -2.252
  418   HD13  LEU  51          HD13      LEU  51   4.028   0.200  -2.775
  419   HD21  LEU  51          HD21      LEU  51   4.801  -0.257  -6.320
  420   HD22  LEU  51          HD22      LEU  51   4.169   1.222  -5.558
  421   HD23  LEU  51          HD23      LEU  51   3.549  -0.354  -5.085
  422    H    GLY  52           HN       GLY  52   9.733  -0.907  -5.175
  423    HA2  GLY  52           HA2      GLY  52   8.722  -3.531  -4.951
  424    HA3  GLY  52           HA1      GLY  52  10.351  -3.090  -5.445
  425    H    ASP  53           HN       ASP  53  11.289  -1.858  -3.236
  426    HA   ASP  53           HA       ASP  53  12.022  -3.905  -1.423
  427    HB2  ASP  53           HB2      ASP  53  11.798  -0.945  -0.751
  428    HB3  ASP  53           HB1      ASP  53  12.779  -2.130   0.093
  429    H    ARG  54           HN       ARG  54   9.651  -1.418  -1.339
  430    HA   ARG  54           HA       ARG  54   8.475  -2.032   1.143
  431    HB2  ARG  54           HB2      ARG  54   8.496   0.139  -0.196
  432    HB3  ARG  54           HB1      ARG  54   7.205  -0.569  -1.140
  433    HG2  ARG  54           HG2      ARG  54   5.762  -0.631   0.773
  434    HG3  ARG  54           HG1      ARG  54   7.082  -0.105   1.830
  435    HD2  ARG  54           HD2      ARG  54   7.296   1.919   0.381
  436    HD3  ARG  54           HD1      ARG  54   5.792   1.447  -0.403
  437    HE   ARG  54           HE       ARG  54   5.137   1.537   2.204
  438   HH11  ARG  54          HH11      ARG  54   6.744   3.805   0.005
  439   HH12  ARG  54          HH12      ARG  54   6.278   5.200   0.855
  440   HH21  ARG  54          HH21      ARG  54   4.468   3.518   3.395
  441   HH22  ARG  54          HH22      ARG  54   5.042   5.012   2.832
  442    H    ILE  55           HN       ILE  55   8.172  -3.472  -1.965
  443    HA   ILE  55           HA       ILE  55   5.522  -4.612  -1.762
  444    HB   ILE  55           HB       ILE  55   7.909  -5.265  -3.518
  445   HG12  ILE  55          HG12      ILE  55   5.239  -3.984  -4.104
  446   HG13  ILE  55          HG11      ILE  55   6.800  -3.210  -4.094
  447   HG21  ILE  55          HG21      ILE  55   6.754  -7.354  -3.161
  448   HG22  ILE  55          HG22      ILE  55   6.499  -6.793  -4.815
  449   HG23  ILE  55          HG23      ILE  55   5.221  -6.607  -3.612
  450   HD11  ILE  55          HD11      ILE  55   7.494  -4.543  -6.055
  451   HD12  ILE  55          HD12      ILE  55   6.058  -3.578  -6.373
  452   HD13  ILE  55          HD13      ILE  55   5.907  -5.304  -6.068
  453    H    ALA  56           HN       ALA  56   8.759  -5.703  -1.090
  454    HA   ALA  56           HA       ALA  56   7.920  -8.271  -0.230
  455    HB1  ALA  56           HB1      ALA  56  10.085  -8.452   0.863
  456    HB2  ALA  56           HB2      ALA  56  10.344  -6.718   0.656
  457    HB3  ALA  56           HB3      ALA  56  10.254  -7.776  -0.759
  458    H    GLN  57           HN       GLN  57   8.462  -5.229   1.490
  459    HA   GLN  57           HA       GLN  57   7.786  -6.216   4.045
  460    HB2  GLN  57           HB2      GLN  57   8.774  -3.865   3.124
  461    HB3  GLN  57           HB1      GLN  57   7.109  -3.393   3.418
  462    HG2  GLN  57           HG2      GLN  57   9.039  -4.532   5.433
  463    HG3  GLN  57           HG1      GLN  57   8.484  -2.867   5.332
  464   HE21  GLN  57          HE21      GLN  57   7.683  -6.109   6.256
  465   HE22  GLN  57          HE22      GLN  57   6.247  -5.707   7.131
  466    H    PHE  58           HN       PHE  58   5.858  -4.634   1.561
  467    HA   PHE  58           HA       PHE  58   3.358  -4.511   2.789
  468    HB2  PHE  58           HB2      PHE  58   3.989  -3.312   0.735
  469    HB3  PHE  58           HB1      PHE  58   4.112  -4.834  -0.109
  470    HD1  PHE  58           HD1      PHE  58   1.659  -2.665   1.659
  471    HD2  PHE  58           HD2      PHE  58   2.354  -5.641  -1.281
  472    HE1  PHE  58           HE1      PHE  58  -0.649  -2.422   0.869
  473    HE2  PHE  58           HE2      PHE  58   0.056  -5.421  -2.066
  474    HZ   PHE  58           HZ       PHE  58  -1.454  -3.812  -1.005
  475    H    TYR  59           HN       TYR  59   5.001  -7.080   1.145
  476    HA   TYR  59           HA       TYR  59   2.908  -8.880   0.683
  477    HB2  TYR  59           HB2      TYR  59   5.506  -8.858   0.096
  478    HB3  TYR  59           HB1      TYR  59   5.609  -9.813   1.561
  479    HD1  TYR  59           HD2      TYR  59   4.182 -11.985   1.639
  480    HD2  TYR  59           HD1      TYR  59   5.005  -9.778  -1.882
  481    HE1  TYR  59           HE2      TYR  59   3.658 -13.968   0.278
  482    HE2  TYR  59           HE1      TYR  59   4.514 -11.666  -3.247
  483    HH   TYR  59           HH       TYR  59   4.480 -14.140  -2.990
  484    H    THR  60           HN       THR  60   5.276  -8.658   3.352
  485    HA   THR  60           HA       THR  60   4.203 -10.540   5.103
  486    HB   THR  60           HB       THR  60   5.617  -7.949   5.736
  487    HG1  THR  60           HG1      THR  60   7.366  -8.808   5.123
  488   HG21  THR  60          HG21      THR  60   5.540 -10.585   7.225
  489   HG22  THR  60          HG22      THR  60   4.735  -9.094   7.712
  490   HG23  THR  60          HG23      THR  60   6.497  -9.174   7.682
  491    H    ASP  61           HN       ASP  61   3.663  -7.121   4.695
  492    HA   ASP  61           HA       ASP  61   2.058  -6.591   6.910
  493    HB2  ASP  61           HB2      ASP  61   3.318  -4.985   5.394
  494    HB3  ASP  61           HB1      ASP  61   1.957  -5.128   4.292
  495    H    LEU  62           HN       LEU  62   1.214  -7.701   3.687
  496    HA   LEU  62           HA       LEU  62  -1.625  -7.513   4.053
  497    HB2  LEU  62           HB2      LEU  62  -0.111  -9.343   2.201
  498    HB3  LEU  62           HB1      LEU  62  -1.823  -9.022   2.142
  499    HG   LEU  62           HG       LEU  62   0.416  -7.139   1.442
  500   HD11  LEU  62          HD11      LEU  62  -1.824  -8.360  -0.109
  501   HD12  LEU  62          HD12      LEU  62  -0.113  -8.813  -0.226
  502   HD13  LEU  62          HD13      LEU  62  -0.658  -7.199  -0.730
  503   HD21  LEU  62          HD21      LEU  62  -1.277  -5.627   0.764
  504   HD22  LEU  62          HD22      LEU  62  -1.319  -5.879   2.523
  505   HD23  LEU  62          HD23      LEU  62  -2.534  -6.653   1.455
  506    H    ASN  63           HN       ASN  63   0.796  -9.962   4.594
  507    HA   ASN  63           HA       ASN  63  -0.939 -12.169   4.944
  508    HB2  ASN  63           HB2      ASN  63   1.867 -11.805   6.071
  509    HB3  ASN  63           HB1      ASN  63   0.966 -13.310   5.994
  510   HD21  ASN  63          HD21      ASN  63  -0.074 -12.941   3.341
  511   HD22  ASN  63          HD22      ASN  63   1.273 -13.103   2.266
  512    H    ILE  64           HN       ILE  64   0.318  -9.778   7.155
  513    HA   ILE  64           HA       ILE  64  -0.821 -11.119   9.463
  514    HB   ILE  64           HB       ILE  64   0.107  -9.252  10.792
  515   HG12  ILE  64          HG12      ILE  64   1.150  -8.244   8.131
  516   HG13  ILE  64          HG11      ILE  64  -0.103  -7.476   9.097
  517   HG21  ILE  64          HG21      ILE  64   1.452 -11.211  10.411
  518   HG22  ILE  64          HG22      ILE  64   2.482  -9.779  10.404
  519   HG23  ILE  64          HG23      ILE  64   2.039 -10.557   8.883
  520   HD11  ILE  64          HD11      ILE  64   2.015  -6.332   9.353
  521   HD12  ILE  64          HD12      ILE  64   2.786  -7.829   9.874
  522   HD13  ILE  64          HD13      ILE  64   1.545  -7.080  10.878
  523    H    ASP  65           HN       ASP  65  -2.301  -9.462   7.178
  524    HA   ASP  65           HA       ASP  65  -3.997  -7.925   9.018
  525    HB2  ASP  65           HB2      ASP  65  -3.055  -6.526   7.284
  526    HB3  ASP  65           HB1      ASP  65  -3.589  -7.643   6.035
  527    H    GLY  66           HN       GLY  66  -6.105  -8.449   9.241
  528    HA2  GLY  66           HA2      GLY  66  -6.926 -10.940   7.951
  529    HA3  GLY  66           HA1      GLY  66  -7.681 -10.187   9.373
  530    H    ARG  67           HN       ARG  67  -7.270  -7.749   7.263
  531    HA   ARG  67           HA       ARG  67 -10.058  -7.897   6.427
  532    HB2  ARG  67           HB2      ARG  67  -8.007  -5.686   6.084
  533    HB3  ARG  67           HB1      ARG  67  -9.716  -5.561   5.712
  534    HG2  ARG  67           HG2      ARG  67  -8.719  -6.173   8.478
  535    HG3  ARG  67           HG1      ARG  67  -8.921  -4.527   7.885
  536    HD2  ARG  67           HD2      ARG  67 -11.121  -6.591   7.913
  537    HD3  ARG  67           HD1      ARG  67 -10.852  -5.426   9.209
  538    HE   ARG  67           HE       ARG  67 -10.987  -3.911   6.961
  539   HH11  ARG  67          HH11      ARG  67 -13.231  -6.288   8.391
  540   HH12  ARG  67          HH12      ARG  67 -14.618  -5.445   7.924
  541   HH21  ARG  67          HH21      ARG  67 -12.898  -2.772   6.318
  542   HH22  ARG  67          HH22      ARG  67 -14.434  -3.370   6.719
  543    H    PHE  68           HN       PHE  68  -6.879  -8.252   5.207
  544    HA   PHE  68           HA       PHE  68  -7.668  -8.314   2.425
  545    HB2  PHE  68           HB2      PHE  68  -5.169  -8.162   3.876
  546    HB3  PHE  68           HB1      PHE  68  -5.124  -9.333   2.555
  547    HD1  PHE  68           HD2      PHE  68  -6.132  -8.562   0.347
  548    HD2  PHE  68           HD1      PHE  68  -4.833  -5.956   3.405
  549    HE1  PHE  68           HE2      PHE  68  -5.992  -6.761  -1.279
  550    HE2  PHE  68           HE1      PHE  68  -4.697  -4.129   1.788
  551    HZ   PHE  68           HZ       PHE  68  -5.296  -4.542  -0.573
  552    H    LEU  69           HN       LEU  69  -7.505 -10.061   1.100
  553    HA   LEU  69           HA       LEU  69  -6.830 -12.613   2.227
  554    HB2  LEU  69           HB2      LEU  69  -9.252 -12.463   2.567
  555    HB3  LEU  69           HB1      LEU  69  -9.471 -12.106   0.865
  556    HG   LEU  69           HG       LEU  69  -8.489 -14.340   0.334
  557   HD11  LEU  69          HD11      LEU  69  -8.433 -16.033   2.112
  558   HD12  LEU  69          HD12      LEU  69  -8.701 -14.762   3.305
  559   HD13  LEU  69          HD13      LEU  69  -7.231 -14.764   2.329
  560   HD21  LEU  69          HD21      LEU  69 -10.882 -13.992   0.327
  561   HD22  LEU  69          HD22      LEU  69 -10.956 -14.340   2.053
  562   HD23  LEU  69          HD23      LEU  69 -10.488 -15.604   0.918
  563    H    ALA  70           HN       ALA  70  -5.563 -13.576   0.766
  564    HA   ALA  70           HA       ALA  70  -5.540 -12.622  -1.961
  565    HB1  ALA  70           HB1      ALA  70  -3.387 -13.319  -1.002
  566    HB2  ALA  70           HB2      ALA  70  -3.847 -14.376  -2.348
  567    HB3  ALA  70           HB3      ALA  70  -4.046 -14.932  -0.695
  568    H    LEU  71           HN       LEU  71  -6.892 -13.388  -3.402
  569    HA   LEU  71           HA       LEU  71  -8.284 -15.834  -2.977
  570    HB2  LEU  71           HB2      LEU  71  -7.829 -14.400  -5.612
  571    HB3  LEU  71           HB1      LEU  71  -9.128 -15.516  -5.225
  572    HG   LEU  71           HG       LEU  71  -8.759 -12.696  -4.236
  573   HD11  LEU  71          HD11      LEU  71  -9.516 -12.886  -6.504
  574   HD12  LEU  71          HD12      LEU  71 -10.760 -12.246  -5.435
  575   HD13  LEU  71          HD13      LEU  71 -10.854 -13.921  -5.985
  576   HD21  LEU  71          HD21      LEU  71 -10.980 -14.626  -3.566
  577   HD22  LEU  71          HD22      LEU  71 -10.915 -12.899  -3.194
  578   HD23  LEU  71          HD23      LEU  71  -9.756 -13.996  -2.438
  579    H    SER  72           HN       SER  72  -7.914 -17.614  -4.780
  580    HA   SER  72           HA       SER  72  -5.473 -18.745  -4.088
  581    HB2  SER  72           HB2      SER  72  -7.478 -20.041  -4.639
  582    HB3  SER  72           HB1      SER  72  -7.326 -19.578  -6.328
  583    HG   SER  72           HG       SER  72  -5.716 -20.904  -6.579
  584    H    ASP  73           HN       ASP  73  -5.899 -16.461  -6.571
  585    HA   ASP  73           HA       ASP  73  -3.547 -17.517  -7.957
  586    HB2  ASP  73           HB2      ASP  73  -5.552 -15.517  -9.002
  587    HB3  ASP  73           HB1      ASP  73  -4.149 -16.104  -9.880
  588    H    GLN  74           HN       GLN  74  -3.645 -15.803  -5.493
  589    HA   GLN  74           HA       GLN  74  -2.442 -14.129  -4.564
  590    HB2  GLN  74           HB2      GLN  74  -0.827 -14.624  -7.035
  591    HB3  GLN  74           HB1      GLN  74  -0.500 -13.147  -6.143
  592    HG2  GLN  74           HG2      GLN  74   1.025 -14.975  -5.519
  593    HG3  GLN  74           HG1      GLN  74   0.066 -14.408  -4.162
  594   HE21  GLN  74          HE21      GLN  74  -1.061 -16.584  -6.680
  595   HE22  GLN  74          HE22      GLN  74  -1.313 -17.927  -5.626
  596    H    THR  75           HN       THR  75  -4.614 -13.848  -6.384
  597    HA   THR  75           HA       THR  75  -4.595 -11.061  -7.061
  598    HB   THR  75           HB       THR  75  -7.106 -11.800  -7.442
  599    HG1  THR  75           HG1      THR  75  -7.331 -14.001  -7.722
  600   HG21  THR  75          HG21      THR  75  -5.536 -11.244  -9.261
  601   HG22  THR  75          HG22      THR  75  -6.526 -12.641  -9.686
  602   HG23  THR  75          HG23      THR  75  -4.854 -12.868  -9.165
  603    H    TRP  76           HN       TRP  76  -4.855  -9.706  -5.376
  604    HA   TRP  76           HA       TRP  76  -5.947 -10.897  -2.972
  605    HB2  TRP  76           HB2      TRP  76  -4.286  -8.413  -3.390
  606    HB3  TRP  76           HB1      TRP  76  -5.057  -8.801  -1.860
  607    HD1  TRP  76           HD1      TRP  76  -2.423 -10.264  -4.256
  608    HE1  TRP  76           HE1      TRP  76  -0.718 -11.625  -2.876
  609    HE3  TRP  76           HE3      TRP  76  -4.664  -9.926   0.305
  610    HZ2  TRP  76           HZ2      TRP  76  -0.385 -12.453  -0.125
  611    HZ3  TRP  76           HZ3      TRP  76  -3.613 -11.014   2.233
  612    HH2  TRP  76           HH2      TRP  76  -1.525 -12.248   2.014
  613    H    GLY  77           HN       GLY  77  -7.477  -9.936  -1.805
  614    HA2  GLY  77           HA2      GLY  77  -8.708  -7.560  -2.730
  615    HA3  GLY  77           HA1      GLY  77  -9.682  -9.013  -2.946
  616    H    LEU  78           HN       LEU  78 -11.147  -8.331  -1.478
  617    HA   LEU  78           HA       LEU  78 -10.107  -7.876   1.198
  618    HB2  LEU  78           HB2      LEU  78 -12.770  -7.091   0.068
  619    HB3  LEU  78           HB1      LEU  78 -12.227  -6.768   1.700
  620    HG   LEU  78           HG       LEU  78 -11.096  -5.626  -0.843
  621   HD11  LEU  78          HD11      LEU  78 -13.161  -4.613  -0.190
  622   HD12  LEU  78          HD12      LEU  78 -11.821  -3.502   0.099
  623   HD13  LEU  78          HD13      LEU  78 -12.557  -4.374   1.448
  624   HD21  LEU  78          HD21      LEU  78  -9.249  -6.000   0.661
  625   HD22  LEU  78          HD22      LEU  78 -10.144  -5.299   2.000
  626   HD23  LEU  78          HD23      LEU  78  -9.634  -4.275   0.654
  627    H    ARG  79           HN       ARG  79 -10.715  -8.921   2.833
  628    HA   ARG  79           HA       ARG  79 -11.470 -11.619   2.554
  629    HB2  ARG  79           HB2      ARG  79  -9.934 -10.705   4.236
  630    HB3  ARG  79           HB1      ARG  79 -11.254  -9.811   4.957
  631    HG2  ARG  79           HG2      ARG  79 -10.999 -11.589   6.359
  632    HG3  ARG  79           HG1      ARG  79 -12.321 -12.107   5.320
  633    HD2  ARG  79           HD2      ARG  79 -10.779 -13.908   5.671
  634    HD3  ARG  79           HD1      ARG  79 -10.711 -13.403   3.983
  635    HE   ARG  79           HE       ARG  79  -8.642 -12.181   4.558
  636   HH11  ARG  79          HH11      ARG  79  -9.632 -14.636   6.947
  637   HH12  ARG  79          HH12      ARG  79  -8.028 -15.002   7.376
  638   HH21  ARG  79          HH21      ARG  79  -6.501 -12.676   5.198
  639   HH22  ARG  79          HH22      ARG  79  -6.212 -13.885   6.365
  640    H    SER  80           HN       SER  80 -13.174  -8.676   3.564
  641    HA   SER  80           HA       SER  80 -15.494 -10.179   4.356
  642    HB2  SER  80           HB2      SER  80 -14.967  -7.206   4.366
  643    HB3  SER  80           HB1      SER  80 -16.326  -8.025   5.137
  644    HG   SER  80           HG       SER  80 -15.052  -8.134   6.773
  645    H    TRP  81           HN       TRP  81 -14.510  -9.665   1.399
  646    HA   TRP  81           HA       TRP  81 -16.743  -8.362   0.118
  647    HB2  TRP  81           HB2      TRP  81 -14.548 -10.153  -0.818
  648    HB3  TRP  81           HB1      TRP  81 -15.918  -9.854  -1.861
  649    HD1  TRP  81           HD1      TRP  81 -15.734  -6.607  -0.593
  650    HE1  TRP  81           HE1      TRP  81 -14.161  -5.116  -1.961
  651    HE3  TRP  81           HE3      TRP  81 -13.055 -10.267  -2.940
  652    HZ2  TRP  81           HZ2      TRP  81 -12.054  -5.449  -3.814
  653    HZ3  TRP  81           HZ3      TRP  81 -11.283  -9.589  -4.512
  654    HH2  TRP  81           HH2      TRP  81 -10.796  -7.226  -4.928
  655    H    TYR  82           HN       TYR  82 -15.742 -11.651   0.518
  656    HA   TYR  82           HA       TYR  82 -18.293 -12.657  -0.482
  657    HB2  TYR  82           HB2      TYR  82 -15.746 -14.184   0.084
  658    HB3  TYR  82           HB1      TYR  82 -17.092 -14.684  -0.917
  659    HD1  TYR  82           HD1      TYR  82 -17.353 -13.708  -3.204
  660    HD2  TYR  82           HD2      TYR  82 -13.997 -12.827  -0.753
  661    HE1  TYR  82           HE1      TYR  82 -16.093 -12.955  -5.185
  662    HE2  TYR  82           HE2      TYR  82 -12.739 -12.109  -2.645
  663    HH   TYR  82           HH       TYR  82 -12.723 -12.407  -5.068
  Start of MODEL   17
    1    H1   GLY   2           HT1      GLY   2 -11.218   5.785   0.771
    2    H2   GLY   2           HT2      GLY   2 -12.204   7.166   0.907
    3    H3   GLY   2           HT3      GLY   2 -10.576   7.222   1.348
    4    HA2  GLY   2           HA1      GLY   2 -11.565   6.873  -1.449
    5    HA3  GLY   2           HA2      GLY   2 -10.819   8.280  -0.748
    6    H    ILE   3           HN       ILE   3  -9.732   7.000  -2.990
    7    HA   ILE   3           HA       ILE   3  -7.253   6.248  -1.703
    8    HB   ILE   3           HB       ILE   3  -8.368   4.125  -2.300
    9   HG12  ILE   3          HG12      ILE   3  -6.479   3.013  -3.297
   10   HG13  ILE   3          HG11      ILE   3  -5.824   4.511  -3.915
   11   HG21  ILE   3          HG21      ILE   3  -9.572   4.761  -4.278
   12   HG22  ILE   3          HG22      ILE   3  -8.543   3.370  -4.615
   13   HG23  ILE   3          HG23      ILE   3  -8.061   4.977  -5.159
   14   HD11  ILE   3          HD11      ILE   3  -6.153   3.810  -1.007
   15   HD12  ILE   3          HD12      ILE   3  -5.430   5.290  -1.649
   16   HD13  ILE   3          HD13      ILE   3  -4.665   3.733  -1.941
   17    H    LYS   4           HN       LYS   4  -8.496   7.035  -5.017
   18    HA   LYS   4           HA       LYS   4  -5.878   7.736  -5.905
   19    HB2  LYS   4           HB2      LYS   4  -8.583   8.235  -7.142
   20    HB3  LYS   4           HB1      LYS   4  -7.082   8.762  -7.861
   21    HG2  LYS   4           HG2      LYS   4  -6.321   6.507  -8.132
   22    HG3  LYS   4           HG1      LYS   4  -7.705   5.885  -7.230
   23    HD2  LYS   4           HD2      LYS   4  -9.225   6.555  -8.936
   24    HD3  LYS   4           HD1      LYS   4  -7.987   7.500  -9.756
   25    HE2  LYS   4           HE2      LYS   4  -8.478   5.370 -10.900
   26    HE3  LYS   4           HE1      LYS   4  -6.804   5.491 -10.376
   27    HZ1  LYS   4           HZ1      LYS   4  -7.323   4.069  -8.510
   28    HZ2  LYS   4           HZ2      LYS   4  -7.700   3.328  -9.953
   29    HZ3  LYS   4           HZ3      LYS   4  -8.939   3.914  -8.982
   30    H    GLN   5           HN       GLN   5  -8.232   9.465  -4.180
   31    HA   GLN   5           HA       GLN   5  -7.232  12.011  -5.097
   32    HB2  GLN   5           HB2      GLN   5  -8.967  13.093  -3.830
   33    HB3  GLN   5           HB1      GLN   5  -9.653  11.736  -4.687
   34    HG2  GLN   5           HG2      GLN   5  -9.247  12.079  -1.722
   35    HG3  GLN   5           HG1      GLN   5 -10.716  11.739  -2.619
   36   HE21  GLN   5          HE21      GLN   5  -7.973  10.514  -1.066
   37   HE22  GLN   5          HE22      GLN   5  -8.333   8.831  -1.218
   38    H    TYR   6           HN       TYR   6  -5.908   9.914  -3.118
   39    HA   TYR   6           HA       TYR   6  -5.015  11.741  -1.051
   40    HB2  TYR   6           HB2      TYR   6  -3.986   9.022  -1.868
   41    HB3  TYR   6           HB1      TYR   6  -3.296   9.987  -0.586
   42    HD1  TYR   6           HD1      TYR   6  -5.755  10.875   0.853
   43    HD2  TYR   6           HD2      TYR   6  -4.746   7.135  -0.856
   44    HE1  TYR   6           HE1      TYR   6  -7.128   9.727   2.536
   45    HE2  TYR   6           HE2      TYR   6  -6.114   5.985   0.794
   46    HH   TYR   6           HH       TYR   6  -8.344   7.471   2.681
   47    H    SER   7           HN       SER   7  -2.791  12.410  -0.824
   48    HA   SER   7           HA       SER   7  -1.229  12.648  -3.348
   49    HB2  SER   7           HB2      SER   7  -0.921  14.234  -0.780
   50    HB3  SER   7           HB1      SER   7  -0.271  14.598  -2.377
   51    HG   SER   7           HG       SER   7  -3.039  14.411  -2.127
   52    H    GLN   8           HN       GLN   8   1.252  12.947  -2.558
   53    HA   GLN   8           HA       GLN   8   1.869  10.218  -2.236
   54    HB2  GLN   8           HB2      GLN   8   3.261  11.660  -3.540
   55    HB3  GLN   8           HB1      GLN   8   3.681  12.608  -2.108
   56    HG2  GLN   8           HG2      GLN   8   4.535  10.506  -1.106
   57    HG3  GLN   8           HG1      GLN   8   4.288   9.760  -2.678
   58   HE21  GLN   8          HE21      GLN   8   5.150  12.322  -4.029
   59   HE22  GLN   8          HE22      GLN   8   6.856  12.363  -3.815
   60    H    GLU   9           HN       GLU   9   2.408  13.005  -0.118
   61    HA   GLU   9           HA       GLU   9   3.810  11.498   1.812
   62    HB2  GLU   9           HB2      GLU   9   3.697  13.438   3.283
   63    HB3  GLU   9           HB1      GLU   9   4.034  13.976   1.654
   64    HG2  GLU   9           HG2      GLU   9   1.364  14.124   3.047
   65    HG3  GLU   9           HG1      GLU   9   2.496  15.456   2.852
   66    H    GLU  10           HN       GLU  10   0.532  12.395   1.414
   67    HA   GLU  10           HA       GLU  10  -0.796  11.587   3.679
   68    HB2  GLU  10           HB2      GLU  10  -1.656  12.617   1.580
   69    HB3  GLU  10           HB1      GLU  10  -1.589  11.035   0.828
   70    HG2  GLU  10           HG2      GLU  10  -3.791  11.152   1.466
   71    HG3  GLU  10           HG1      GLU  10  -3.090  10.372   2.884
   72    H    LEU  11           HN       LEU  11  -0.062   9.663   0.804
   73    HA   LEU  11           HA       LEU  11  -1.084   7.152   1.702
   74    HB2  LEU  11           HB2      LEU  11   0.762   7.974  -0.504
   75    HB3  LEU  11           HB1      LEU  11   0.178   6.337  -0.301
   76    HG   LEU  11           HG       LEU  11  -1.777   8.587  -0.583
   77   HD11  LEU  11          HD11      LEU  11  -0.185   8.821  -2.428
   78   HD12  LEU  11          HD12      LEU  11  -1.754   8.239  -2.982
   79   HD13  LEU  11          HD13      LEU  11  -0.404   7.117  -2.823
   80   HD21  LEU  11          HD21      LEU  11  -3.015   6.750  -1.715
   81   HD22  LEU  11          HD22      LEU  11  -2.720   6.534   0.002
   82   HD23  LEU  11          HD23      LEU  11  -1.740   5.646  -1.181
   83    H    LYS  12           HN       LYS  12   1.986   8.679   1.603
   84    HA   LYS  12           HA       LYS  12   3.735   6.514   1.800
   85    HB2  LYS  12           HB2      LYS  12   3.900   9.084   1.212
   86    HB3  LYS  12           HB1      LYS  12   4.396   9.181   2.887
   87    HG2  LYS  12           HG2      LYS  12   6.247   7.659   2.419
   88    HG3  LYS  12           HG1      LYS  12   5.681   7.534   0.750
   89    HD2  LYS  12           HD2      LYS  12   5.981   9.907   0.421
   90    HD3  LYS  12           HD1      LYS  12   6.481  10.097   2.098
   91    HE2  LYS  12           HE2      LYS  12   8.430   8.716   1.678
   92    HE3  LYS  12           HE1      LYS  12   7.916   8.480   0.005
   93    HZ1  LYS  12           HZ1      LYS  12   9.573  10.198   0.164
   94    HZ2  LYS  12           HZ2      LYS  12   8.623  11.075   1.258
   95    HZ3  LYS  12           HZ3      LYS  12   8.110  10.872  -0.338
   96    H    GLU  13           HN       GLU  13   1.941   8.264   4.243
   97    HA   GLU  13           HA       GLU  13   3.567   7.016   6.329
   98    HB2  GLU  13           HB2      GLU  13   2.588   8.733   7.836
   99    HB3  GLU  13           HB1      GLU  13   3.611   9.354   6.549
  100    HG2  GLU  13           HG2      GLU  13   1.573   9.915   5.270
  101    HG3  GLU  13           HG1      GLU  13   0.612   9.389   6.653
  102    H    MET  14           HN       MET  14   0.886   6.228   4.781
  103    HA   MET  14           HA       MET  14  -0.508   5.391   7.230
  104    HB2  MET  14           HB2      MET  14  -1.508   5.590   4.388
  105    HB3  MET  14           HB1      MET  14  -2.435   4.861   5.691
  106    HG2  MET  14           HG2      MET  14  -2.397   7.019   6.879
  107    HG3  MET  14           HG1      MET  14  -1.529   7.727   5.520
  108    HE1  MET  14           HE1      MET  14  -2.983   6.360   3.004
  109    HE2  MET  14           HE2      MET  14  -2.578   8.070   3.126
  110    HE3  MET  14           HE3      MET  14  -4.212   7.581   2.673
  111    H    ALA  15           HN       ALA  15  -1.437   3.161   7.171
  112    HA   ALA  15           HA       ALA  15   0.600   1.303   6.557
  113    HB1  ALA  15           HB1      ALA  15  -2.324   0.793   7.145
  114    HB2  ALA  15           HB2      ALA  15  -1.045   0.932   8.352
  115    HB3  ALA  15           HB3      ALA  15  -1.034  -0.409   7.206
  116    H    LEU  16           HN       LEU  16   0.945   0.117   4.799
  117    HA   LEU  16           HA       LEU  16  -0.417   1.001   2.506
  118    HB2  LEU  16           HB2      LEU  16   1.098  -0.501   1.140
  119    HB3  LEU  16           HB1      LEU  16   1.826   0.827   2.002
  120    HG   LEU  16           HG       LEU  16   1.965  -2.056   2.952
  121   HD11  LEU  16          HD11      LEU  16   3.939  -0.423   1.350
  122   HD12  LEU  16          HD12      LEU  16   2.992  -1.776   0.734
  123   HD13  LEU  16          HD13      LEU  16   4.210  -2.046   1.981
  124   HD21  LEU  16          HD21      LEU  16   3.552   0.424   3.648
  125   HD22  LEU  16          HD22      LEU  16   3.949  -1.206   4.159
  126   HD23  LEU  16          HD23      LEU  16   2.472  -0.459   4.737
  127    H    VAL  17           HN       VAL  17  -0.753  -1.860   4.364
  128    HA   VAL  17           HA       VAL  17  -2.358  -3.267   2.610
  129    HB   VAL  17           HB       VAL  17  -1.611  -4.175   4.776
  130   HG11  VAL  17          HG11      VAL  17  -3.591  -2.294   6.030
  131   HG12  VAL  17          HG12      VAL  17  -1.834  -2.241   6.177
  132   HG13  VAL  17          HG13      VAL  17  -2.735  -3.588   6.872
  133   HG21  VAL  17          HG21      VAL  17  -3.492  -5.273   3.703
  134   HG22  VAL  17          HG22      VAL  17  -4.616  -4.171   4.497
  135   HG23  VAL  17          HG23      VAL  17  -3.686  -5.322   5.455
  136    H    GLU  18           HN       GLU  18  -3.187  -0.439   4.595
  137    HA   GLU  18           HA       GLU  18  -5.946  -0.583   3.921
  138    HB2  GLU  18           HB2      GLU  18  -4.306   1.359   5.421
  139    HB3  GLU  18           HB1      GLU  18  -5.770   1.986   4.673
  140    HG2  GLU  18           HG2      GLU  18  -5.577  -0.295   6.617
  141    HG3  GLU  18           HG1      GLU  18  -6.248   1.313   6.923
  142    H    ILE  19           HN       ILE  19  -3.198   1.009   2.618
  143    HA   ILE  19           HA       ILE  19  -4.438   2.717   0.756
  144    HB   ILE  19           HB       ILE  19  -1.899   1.101   0.332
  145   HG12  ILE  19          HG12      ILE  19  -1.771   2.359   2.432
  146   HG13  ILE  19          HG11      ILE  19  -0.663   3.040   1.238
  147   HG21  ILE  19          HG21      ILE  19  -1.225   2.913  -1.185
  148   HG22  ILE  19          HG22      ILE  19  -2.791   3.684  -0.923
  149   HG23  ILE  19          HG23      ILE  19  -2.710   2.114  -1.719
  150   HD11  ILE  19          HD11      ILE  19  -2.327   4.796   0.829
  151   HD12  ILE  19          HD12      ILE  19  -1.715   4.762   2.480
  152   HD13  ILE  19          HD13      ILE  19  -3.326   4.122   2.122
  153    H    ALA  20           HN       ALA  20  -3.364  -0.589   0.525
  154    HA   ALA  20           HA       ALA  20  -4.460  -1.155  -1.988
  155    HB1  ALA  20           HB1      ALA  20  -2.680  -2.498  -0.961
  156    HB2  ALA  20           HB2      ALA  20  -4.049  -3.493  -1.456
  157    HB3  ALA  20           HB3      ALA  20  -3.827  -3.082   0.244
  158    H    HIS  21           HN       HIS  21  -5.785  -1.638   1.317
  159    HA   HIS  21           HA       HIS  21  -8.155  -2.865   0.663
  160    HB2  HIS  21           HB2      HIS  21  -7.626  -2.598   2.988
  161    HB3  HIS  21           HB1      HIS  21  -7.525  -0.844   2.786
  162    HD1  HIS  21           HD1      HIS  21  -9.325   0.075   4.229
  163    HD2  HIS  21           HD2      HIS  21 -10.630  -3.229   2.094
  164    HE1  HIS  21           HE1      HIS  21 -11.807   0.003   4.544
  165    HE2  HIS  21           HE2      HIS  21 -12.552  -1.716   2.910
  166    H    GLU  22           HN       GLU  22  -7.668   0.663   0.851
  167    HA   GLU  22           HA       GLU  22 -10.241   1.351  -0.034
  168    HB2  GLU  22           HB2      GLU  22  -7.627   2.787  -0.159
  169    HB3  GLU  22           HB1      GLU  22  -9.149   3.540  -0.626
  170    HG2  GLU  22           HG2      GLU  22  -8.539   2.418   2.105
  171    HG3  GLU  22           HG1      GLU  22  -8.507   4.129   1.672
  172    H    LEU  23           HN       LEU  23  -7.311   0.678  -1.751
  173    HA   LEU  23           HA       LEU  23  -7.949   1.379  -4.372
  174    HB2  LEU  23           HB2      LEU  23  -5.749   0.738  -3.494
  175    HB3  LEU  23           HB1      LEU  23  -6.325  -0.879  -3.234
  176    HG   LEU  23           HG       LEU  23  -6.258  -1.333  -5.662
  177   HD11  LEU  23          HD11      LEU  23  -7.021   0.956  -6.331
  178   HD12  LEU  23          HD12      LEU  23  -5.605   0.376  -7.197
  179   HD13  LEU  23          HD13      LEU  23  -5.420   1.558  -5.898
  180   HD21  LEU  23          HD21      LEU  23  -3.898   0.196  -4.658
  181   HD22  LEU  23          HD22      LEU  23  -3.896  -1.033  -5.943
  182   HD23  LEU  23          HD23      LEU  23  -4.266  -1.479  -4.269
  183    H    PHE  24           HN       PHE  24  -8.416  -1.632  -2.613
  184    HA   PHE  24           HA       PHE  24  -9.809  -2.861  -4.766
  185    HB2  PHE  24           HB2      PHE  24  -9.202  -3.720  -1.972
  186    HB3  PHE  24           HB1      PHE  24 -10.273  -4.665  -3.005
  187    HD1  PHE  24           HD1      PHE  24  -6.859  -3.348  -2.672
  188    HD2  PHE  24           HD2      PHE  24  -9.447  -5.960  -4.733
  189    HE1  PHE  24           HE1      PHE  24  -4.919  -4.392  -3.755
  190    HE2  PHE  24           HE2      PHE  24  -7.546  -7.014  -5.809
  191    HZ   PHE  24           HZ       PHE  24  -5.268  -6.240  -5.330
  192    H    GLU  25           HN       GLU  25 -10.793  -1.006  -2.061
  193    HA   GLU  25           HA       GLU  25 -13.530  -1.706  -2.104
  194    HB2  GLU  25           HB2      GLU  25 -12.180   0.865  -1.311
  195    HB3  GLU  25           HB1      GLU  25 -13.901   0.568  -1.106
  196    HG2  GLU  25           HG2      GLU  25 -11.752  -1.142   0.090
  197    HG3  GLU  25           HG1      GLU  25 -12.499   0.216   0.919
  198    H    GLU  26           HN       GLU  26 -11.682   0.708  -3.826
  199    HA   GLU  26           HA       GLU  26 -13.844   1.850  -5.259
  200    HB2  GLU  26           HB2      GLU  26 -11.658   2.955  -5.041
  201    HB3  GLU  26           HB1      GLU  26 -10.918   1.666  -5.983
  202    HG2  GLU  26           HG2      GLU  26 -12.491   2.300  -7.846
  203    HG3  GLU  26           HG1      GLU  26 -12.878   3.733  -6.899
  204    H    HIS  27           HN       HIS  27 -11.404  -0.547  -6.095
  205    HA   HIS  27           HA       HIS  27 -12.405  -0.999  -8.692
  206    HB2  HIS  27           HB2      HIS  27 -10.397  -2.497  -7.031
  207    HB3  HIS  27           HB1      HIS  27 -10.924  -3.133  -8.575
  208    HD1  HIS  27           HD1      HIS  27 -10.047  -1.948 -10.703
  209    HD2  HIS  27           HD2      HIS  27  -8.720  -0.202  -7.179
  210    HE1  HIS  27           HE1      HIS  27  -8.116  -0.497 -11.360
  211    HE2  HIS  27           HE2      HIS  27  -7.147   0.279  -9.223
  212    H    LYS  28           HN       LYS  28 -12.917  -2.867  -5.662
  213    HA   LYS  28           HA       LYS  28 -14.252  -4.597  -5.137
  214    HB2  LYS  28           HB2      LYS  28 -15.980  -3.349  -7.293
  215    HB3  LYS  28           HB1      LYS  28 -16.536  -4.625  -6.222
  216    HG2  LYS  28           HG2      LYS  28 -16.233  -3.236  -4.288
  217    HG3  LYS  28           HG1      LYS  28 -15.496  -1.972  -5.262
  218    HD2  LYS  28           HD2      LYS  28 -18.315  -2.911  -5.739
  219    HD3  LYS  28           HD1      LYS  28 -17.933  -1.697  -4.530
  220    HE2  LYS  28           HE2      LYS  28 -18.632  -0.602  -6.588
  221    HE3  LYS  28           HE1      LYS  28 -16.937  -0.273  -6.278
  222    HZ1  LYS  28           HZ1      LYS  28 -16.323  -1.835  -7.998
  223    HZ2  LYS  28           HZ2      LYS  28 -17.471  -0.773  -8.619
  224    HZ3  LYS  28           HZ3      LYS  28 -17.924  -2.326  -8.178
  225    H    LYS  29           HN       LYS  29 -12.232  -5.026  -6.808
  226    HA   LYS  29           HA       LYS  29 -12.984  -7.334  -8.400
  227    HB2  LYS  29           HB2      LYS  29 -12.900  -5.741 -10.081
  228    HB3  LYS  29           HB1      LYS  29 -11.738  -4.760  -9.235
  229    HG2  LYS  29           HG2      LYS  29 -10.721  -5.589 -11.211
  230    HG3  LYS  29           HG1      LYS  29  -9.990  -6.421  -9.850
  231    HD2  LYS  29           HD2      LYS  29 -11.294  -8.386 -10.303
  232    HD3  LYS  29           HD1      LYS  29 -12.176  -7.554 -11.589
  233    HE2  LYS  29           HE2      LYS  29  -9.210  -8.114 -11.535
  234    HE3  LYS  29           HE1      LYS  29 -10.404  -8.973 -12.504
  235    HZ1  LYS  29           HZ1      LYS  29  -9.203  -7.259 -13.782
  236    HZ2  LYS  29           HZ2      LYS  29  -9.831  -6.049 -12.790
  237    HZ3  LYS  29           HZ3      LYS  29 -10.851  -6.970 -13.728
  238    HA   PRO  30           HA       PRO  30  -9.260  -8.529  -6.067
  239    HB2  PRO  30           HB2      PRO  30  -9.062 -11.042  -7.162
  240    HB3  PRO  30           HB1      PRO  30 -10.116 -10.638  -5.800
  241    HG2  PRO  30           HG2      PRO  30 -10.810 -10.931  -8.693
  242    HG3  PRO  30           HG1      PRO  30 -11.708 -11.475  -7.266
  243    HD2  PRO  30           HD2      PRO  30 -12.368  -9.238  -8.627
  244    HD3  PRO  30           HD1      PRO  30 -12.602  -9.389  -6.877
  245    H    VAL  31           HN       VAL  31  -7.174  -8.348  -6.694
  246    HA   VAL  31           HA       VAL  31  -6.712  -8.066  -9.566
  247    HB   VAL  31           HB       VAL  31  -5.808  -6.168  -7.359
  248   HG11  VAL  31          HG11      VAL  31  -5.220  -6.021 -10.302
  249   HG12  VAL  31          HG12      VAL  31  -4.063  -6.405  -9.027
  250   HG13  VAL  31          HG13      VAL  31  -4.798  -4.803  -9.097
  251   HG21  VAL  31          HG21      VAL  31  -7.116  -4.476  -8.544
  252   HG22  VAL  31          HG22      VAL  31  -8.128  -5.814  -7.997
  253   HG23  VAL  31          HG23      VAL  31  -7.657  -5.699  -9.694
  254    HA   PRO  32           HA       PRO  32  -3.141 -10.700  -8.779
  255    HB2  PRO  32           HB2      PRO  32  -2.042  -9.042 -11.015
  256    HB3  PRO  32           HB1      PRO  32  -2.060 -10.802 -10.837
  257    HG2  PRO  32           HG2      PRO  32  -3.748  -9.655 -12.505
  258    HG3  PRO  32           HG1      PRO  32  -4.303 -10.969 -11.450
  259    HD2  PRO  32           HD2      PRO  32  -4.705  -8.022 -11.174
  260    HD3  PRO  32           HD1      PRO  32  -5.851  -9.352 -10.890
  261    H    PHE  33           HN       PHE  33  -1.127 -10.421  -7.865
  262    HA   PHE  33           HA       PHE  33  -0.909  -8.283  -6.106
  263    HB2  PHE  33           HB2      PHE  33  -0.048 -10.568  -5.725
  264    HB3  PHE  33           HB1      PHE  33   1.214 -10.267  -6.922
  265    HD1  PHE  33           HD2      PHE  33  -0.061  -9.305  -3.592
  266    HD2  PHE  33           HD1      PHE  33   3.187  -9.128  -6.323
  267    HE1  PHE  33           HE2      PHE  33   1.389  -8.445  -1.805
  268    HE2  PHE  33           HE1      PHE  33   4.644  -8.279  -4.549
  269    HZ   PHE  33           HZ       PHE  33   3.748  -7.933  -2.277
  270    H    GLN  34           HN       GLN  34   0.597  -8.833  -9.200
  271    HA   GLN  34           HA       GLN  34   2.572  -6.815  -8.962
  272    HB2  GLN  34           HB2      GLN  34   2.280  -8.886 -10.598
  273    HB3  GLN  34           HB1      GLN  34   1.515  -7.689 -11.619
  274    HG2  GLN  34           HG2      GLN  34   4.346  -7.555 -10.571
  275    HG3  GLN  34           HG1      GLN  34   3.876  -8.065 -12.183
  276   HE21  GLN  34          HE21      GLN  34   4.410  -5.403 -10.064
  277   HE22  GLN  34          HE22      GLN  34   4.176  -4.166 -11.229
  278    H    GLU  35           HN       GLU  35  -0.868  -6.711 -10.066
  279    HA   GLU  35           HA       GLU  35  -0.455  -4.211 -11.414
  280    HB2  GLU  35           HB2      GLU  35  -2.971  -5.748 -10.786
  281    HB3  GLU  35           HB1      GLU  35  -2.939  -4.212 -11.636
  282    HG2  GLU  35           HG2      GLU  35  -1.617  -5.260 -13.415
  283    HG3  GLU  35           HG1      GLU  35  -1.734  -6.805 -12.565
  284    H    LEU  36           HN       LEU  36  -1.726  -5.405  -8.401
  285    HA   LEU  36           HA       LEU  36  -2.805  -2.949  -7.597
  286    HB2  LEU  36           HB2      LEU  36  -2.962  -3.925  -5.319
  287    HB3  LEU  36           HB1      LEU  36  -3.635  -4.943  -6.559
  288    HG   LEU  36           HG       LEU  36  -1.392  -6.217  -6.446
  289   HD11  LEU  36          HD11      LEU  36  -1.287  -4.871  -3.767
  290   HD12  LEU  36          HD12      LEU  36  -0.191  -4.585  -5.119
  291   HD13  LEU  36          HD13      LEU  36  -0.243  -6.174  -4.353
  292   HD21  LEU  36          HD21      LEU  36  -3.461  -7.199  -5.723
  293   HD22  LEU  36          HD22      LEU  36  -3.377  -6.327  -4.190
  294   HD23  LEU  36          HD23      LEU  36  -2.198  -7.584  -4.554
  295    H    LEU  37           HN       LEU  37   0.432  -4.237  -7.347
  296    HA   LEU  37           HA       LEU  37   1.451  -2.270  -5.583
  297    HB2  LEU  37           HB2      LEU  37   2.695  -3.990  -7.679
  298    HB3  LEU  37           HB1      LEU  37   3.652  -2.956  -6.618
  299    HG   LEU  37           HG       LEU  37   1.904  -5.270  -5.792
  300   HD11  LEU  37          HD11      LEU  37   4.887  -5.008  -6.033
  301   HD12  LEU  37          HD12      LEU  37   3.832  -5.988  -7.052
  302   HD13  LEU  37          HD13      LEU  37   4.025  -6.383  -5.346
  303   HD21  LEU  37          HD21      LEU  37   3.788  -3.511  -4.217
  304   HD22  LEU  37          HD22      LEU  37   3.065  -5.002  -3.626
  305   HD23  LEU  37          HD23      LEU  37   2.038  -3.629  -4.021
  306    H    ASN  38           HN       ASN  38   1.313  -2.597  -9.076
  307    HA   ASN  38           HA       ASN  38   2.532  -0.192  -9.786
  308    HB2  ASN  38           HB2      ASN  38   0.520  -1.938 -11.150
  309    HB3  ASN  38           HB1      ASN  38   1.036  -0.431 -11.890
  310   HD21  ASN  38          HD21      ASN  38   1.964  -1.529 -13.590
  311   HD22  ASN  38          HD22      ASN  38   3.437  -2.426 -13.413
  312    H    GLU  39           HN       GLU  39  -0.843  -0.911  -9.120
  313    HA   GLU  39           HA       GLU  39  -2.030   1.577  -9.520
  314    HB2  GLU  39           HB2      GLU  39  -2.513  -0.495  -7.390
  315    HB3  GLU  39           HB1      GLU  39  -3.566   0.881  -7.652
  316    HG2  GLU  39           HG2      GLU  39  -2.999  -1.179  -9.766
  317    HG3  GLU  39           HG1      GLU  39  -4.303  -1.347  -8.596
  318    H    ILE  40           HN       ILE  40  -0.654   0.231  -6.538
  319    HA   ILE  40           HA       ILE  40  -0.886   2.458  -4.882
  320    HB   ILE  40           HB       ILE  40   1.182   0.234  -4.780
  321   HG12  ILE  40          HG12      ILE  40  -1.389   0.560  -3.213
  322   HG13  ILE  40          HG11      ILE  40  -1.207  -0.474  -4.624
  323   HG21  ILE  40          HG21      ILE  40   1.493   0.824  -2.416
  324   HG22  ILE  40          HG22      ILE  40   0.410   2.202  -2.622
  325   HG23  ILE  40          HG23      ILE  40   1.947   2.153  -3.485
  326   HD11  ILE  40          HD11      ILE  40   0.267  -0.774  -2.010
  327   HD12  ILE  40          HD12      ILE  40   0.452  -1.809  -3.427
  328   HD13  ILE  40          HD13      ILE  40  -1.085  -1.763  -2.567
  329    H    ALA  41           HN       ALA  41   1.895   1.431  -6.812
  330    HA   ALA  41           HA       ALA  41   3.583   3.530  -6.052
  331    HB1  ALA  41           HB1      ALA  41   4.326   1.444  -7.099
  332    HB2  ALA  41           HB2      ALA  41   5.001   2.893  -7.840
  333    HB3  ALA  41           HB3      ALA  41   3.684   2.017  -8.644
  334    H    SER  42           HN       SER  42   1.156   3.377  -8.551
  335    HA   SER  42           HA       SER  42   1.858   5.938  -9.672
  336    HB2  SER  42           HB2      SER  42   0.661   4.142 -10.972
  337    HB3  SER  42           HB1      SER  42  -0.723   4.356  -9.911
  338    HG   SER  42           HG       SER  42  -0.526   6.696 -10.709
  339    H    LEU  43           HN       LEU  43  -0.384   4.857  -7.216
  340    HA   LEU  43           HA       LEU  43  -1.734   7.276  -6.826
  341    HB2  LEU  43           HB2      LEU  43  -0.975   5.164  -4.810
  342    HB3  LEU  43           HB1      LEU  43  -2.134   6.442  -4.521
  343    HG   LEU  43           HG       LEU  43  -2.451   4.286  -6.607
  344   HD11  LEU  43          HD11      LEU  43  -3.710   4.585  -3.894
  345   HD12  LEU  43          HD12      LEU  43  -2.523   3.369  -4.342
  346   HD13  LEU  43          HD13      LEU  43  -4.122   3.361  -5.091
  347   HD21  LEU  43          HD21      LEU  43  -4.774   5.090  -6.680
  348   HD22  LEU  43          HD22      LEU  43  -3.629   6.333  -7.174
  349   HD23  LEU  43          HD23      LEU  43  -4.343   6.382  -5.560
  350    H    LEU  44           HN       LEU  44   1.164   6.001  -5.288
  351    HA   LEU  44           HA       LEU  44   1.727   8.512  -3.989
  352    HB2  LEU  44           HB2      LEU  44   3.429   6.041  -4.370
  353    HB3  LEU  44           HB1      LEU  44   3.992   7.469  -3.544
  354    HG   LEU  44           HG       LEU  44   2.144   7.025  -1.842
  355   HD11  LEU  44          HD11      LEU  44   2.122   4.358  -3.223
  356   HD12  LEU  44          HD12      LEU  44   0.789   5.497  -3.188
  357   HD13  LEU  44          HD13      LEU  44   1.332   4.727  -1.690
  358   HD21  LEU  44          HD21      LEU  44   3.475   5.318  -0.696
  359   HD22  LEU  44          HD22      LEU  44   4.482   6.586  -1.403
  360   HD23  LEU  44          HD23      LEU  44   4.349   5.016  -2.199
  361    H    GLY  45           HN       GLY  45   2.908  10.089  -4.840
  362    HA2  GLY  45           HA2      GLY  45   3.879   9.980  -7.553
  363    HA3  GLY  45           HA1      GLY  45   4.157  11.306  -6.431
  364    H    VAL  46           HN       VAL  46   5.131   7.887  -6.665
  365    HA   VAL  46           HA       VAL  46   7.910   8.663  -6.047
  366    HB   VAL  46           HB       VAL  46   8.178   6.625  -4.742
  367   HG11  VAL  46          HG11      VAL  46   5.853   8.283  -3.815
  368   HG12  VAL  46          HG12      VAL  46   7.561   8.577  -3.501
  369   HG13  VAL  46          HG13      VAL  46   6.764   7.168  -2.797
  370   HG21  VAL  46          HG21      VAL  46   6.603   5.153  -5.830
  371   HG22  VAL  46          HG22      VAL  46   5.253   6.145  -5.301
  372   HG23  VAL  46          HG23      VAL  46   6.197   5.240  -4.112
  373    H    LYS  47           HN       LYS  47   9.356   6.576  -6.470
  374    HA   LYS  47           HA       LYS  47   8.763   5.703  -9.214
  375    HB2  LYS  47           HB2      LYS  47  11.301   5.193  -7.667
  376    HB3  LYS  47           HB1      LYS  47  11.065   5.140  -9.404
  377    HG2  LYS  47           HG2      LYS  47  10.673   7.627  -9.320
  378    HG3  LYS  47           HG1      LYS  47  11.176   7.563  -7.631
  379    HD2  LYS  47           HD2      LYS  47  13.160   8.117  -8.770
  380    HD3  LYS  47           HD1      LYS  47  13.265   6.371  -8.514
  381    HE2  LYS  47           HE2      LYS  47  13.941   6.937 -10.779
  382    HE3  LYS  47           HE1      LYS  47  12.474   5.964 -10.780
  383    HZ1  LYS  47           HZ1      LYS  47  11.166   7.943 -11.207
  384    HZ2  LYS  47           HZ2      LYS  47  12.403   7.859 -12.345
  385    HZ3  LYS  47           HZ3      LYS  47  12.533   8.918 -11.048
  386    H    LYS  48           HN       LYS  48   9.266   3.395  -9.723
  387    HA   LYS  48           HA       LYS  48   7.896   1.675  -7.949
  388    HB2  LYS  48           HB2      LYS  48   7.969   1.258 -10.390
  389    HB3  LYS  48           HB1      LYS  48   9.692   0.917 -10.272
  390    HG2  LYS  48           HG2      LYS  48   8.734  -1.219 -10.297
  391    HG3  LYS  48           HG1      LYS  48   9.029  -0.871  -8.589
  392    HD2  LYS  48           HD2      LYS  48   6.854  -1.601  -8.352
  393    HD3  LYS  48           HD1      LYS  48   6.485   0.054  -8.808
  394    HE2  LYS  48           HE2      LYS  48   6.605  -2.331 -10.648
  395    HE3  LYS  48           HE1      LYS  48   5.155  -1.521 -10.076
  396    HZ1  LYS  48           HZ1      LYS  48   7.230  -0.304 -11.810
  397    HZ2  LYS  48           HZ2      LYS  48   5.798   0.448 -11.337
  398    HZ3  LYS  48           HZ3      LYS  48   5.766  -0.912 -12.326
  399    H    GLU  49           HN       GLU  49  11.225   2.533  -8.275
  400    HA   GLU  49           HA       GLU  49  12.588   0.336  -7.212
  401    HB2  GLU  49           HB2      GLU  49  13.234   3.236  -6.746
  402    HB3  GLU  49           HB1      GLU  49  14.351   1.883  -6.665
  403    HG2  GLU  49           HG2      GLU  49  14.011   1.503  -9.075
  404    HG3  GLU  49           HG1      GLU  49  12.935   2.895  -9.105
  405    H    GLU  50           HN       GLU  50  11.601   3.251  -5.475
  406    HA   GLU  50           HA       GLU  50  12.265   2.305  -2.895
  407    HB2  GLU  50           HB2      GLU  50  11.113   4.358  -2.157
  408    HB3  GLU  50           HB1      GLU  50  12.265   4.659  -3.450
  409    HG2  GLU  50           HG2      GLU  50  10.314   4.535  -5.051
  410    HG3  GLU  50           HG1      GLU  50   9.283   4.531  -3.634
  411    H    LEU  51           HN       LEU  51   9.386   2.263  -4.841
  412    HA   LEU  51           HA       LEU  51   7.684   1.434  -2.724
  413    HB2  LEU  51           HB2      LEU  51   7.063   2.628  -4.954
  414    HB3  LEU  51           HB1      LEU  51   7.252   1.025  -5.636
  415    HG   LEU  51           HG       LEU  51   4.866   1.821  -5.213
  416   HD11  LEU  51          HD11      LEU  51   4.028  -0.332  -4.446
  417   HD12  LEU  51          HD12      LEU  51   5.660  -0.792  -3.960
  418   HD13  LEU  51          HD13      LEU  51   5.292  -0.514  -5.662
  419   HD21  LEU  51          HD21      LEU  51   5.204   2.838  -3.044
  420   HD22  LEU  51          HD22      LEU  51   5.607   1.265  -2.348
  421   HD23  LEU  51          HD23      LEU  51   3.982   1.571  -2.953
  422    H    GLY  52           HN       GLY  52   9.972  -0.019  -4.824
  423    HA2  GLY  52           HA2      GLY  52   9.142  -2.715  -4.780
  424    HA3  GLY  52           HA1      GLY  52  10.784  -2.138  -5.058
  425    H    ASP  53           HN       ASP  53  11.313  -0.819  -2.798
  426    HA   ASP  53           HA       ASP  53  11.929  -2.739  -0.838
  427    HB2  ASP  53           HB2      ASP  53  13.037  -0.576  -0.801
  428    HB3  ASP  53           HB1      ASP  53  11.499   0.245  -0.547
  429    H    ARG  54           HN       ARG  54   9.273  -0.521  -1.142
  430    HA   ARG  54           HA       ARG  54   7.866  -1.399   1.127
  431    HB2  ARG  54           HB2      ARG  54   7.308   0.426  -1.082
  432    HB3  ARG  54           HB1      ARG  54   5.881  -0.367  -0.429
  433    HG2  ARG  54           HG2      ARG  54   6.306   1.775   0.642
  434    HG3  ARG  54           HG1      ARG  54   6.412   0.440   1.782
  435    HD2  ARG  54           HD2      ARG  54   8.948   0.532   1.304
  436    HD3  ARG  54           HD1      ARG  54   8.592   2.091   0.591
  437    HE   ARG  54           HE       ARG  54   7.572   2.792   2.663
  438   HH11  ARG  54          HH11      ARG  54  10.187   0.310   2.915
  439   HH12  ARG  54          HH12      ARG  54  10.274   0.430   4.601
  440   HH21  ARG  54          HH21      ARG  54   7.809   2.930   4.988
  441   HH22  ARG  54          HH22      ARG  54   8.936   1.935   5.804
  442    H    ILE  55           HN       ILE  55   8.135  -2.840  -1.979
  443    HA   ILE  55           HA       ILE  55   5.732  -4.366  -1.903
  444    HB   ILE  55           HB       ILE  55   8.371  -4.983  -3.292
  445   HG12  ILE  55          HG12      ILE  55   5.788  -3.899  -4.427
  446   HG13  ILE  55          HG11      ILE  55   7.219  -2.937  -4.098
  447   HG21  ILE  55          HG21      ILE  55   5.692  -6.324  -3.660
  448   HG22  ILE  55          HG22      ILE  55   7.137  -7.048  -2.954
  449   HG23  ILE  55          HG23      ILE  55   7.117  -6.603  -4.662
  450   HD11  ILE  55          HD11      ILE  55   7.060  -3.455  -6.464
  451   HD12  ILE  55          HD12      ILE  55   6.983  -5.180  -6.102
  452   HD13  ILE  55          HD13      ILE  55   8.459  -4.288  -5.778
  453    H    ALA  56           HN       ALA  56   9.024  -4.863  -0.823
  454    HA   ALA  56           HA       ALA  56   8.686  -7.482   0.170
  455    HB1  ALA  56           HB1      ALA  56  10.889  -6.435  -0.171
  456    HB2  ALA  56           HB2      ALA  56  10.711  -7.087   1.455
  457    HB3  ALA  56           HB3      ALA  56  10.569  -5.346   1.182
  458    H    GLN  57           HN       GLN  57   8.508  -4.346   1.789
  459    HA   GLN  57           HA       GLN  57   7.712  -5.267   4.344
  460    HB2  GLN  57           HB2      GLN  57   8.490  -2.884   3.426
  461    HB3  GLN  57           HB1      GLN  57   6.766  -2.627   3.279
  462    HG2  GLN  57           HG2      GLN  57   8.245  -3.266   5.841
  463    HG3  GLN  57           HG1      GLN  57   7.703  -1.679   5.342
  464   HE21  GLN  57          HE21      GLN  57   6.830  -4.676   6.786
  465   HE22  GLN  57          HE22      GLN  57   5.225  -4.233   7.234
  466    H    PHE  58           HN       PHE  58   5.969  -4.581   1.390
  467    HA   PHE  58           HA       PHE  58   3.363  -4.600   2.445
  468    HB2  PHE  58           HB2      PHE  58   4.014  -3.667   0.210
  469    HB3  PHE  58           HB1      PHE  58   4.203  -5.315  -0.359
  470    HD1  PHE  58           HD2      PHE  58   1.582  -3.477   1.574
  471    HD2  PHE  58           HD1      PHE  58   2.531  -5.937  -1.745
  472    HE1  PHE  58           HE2      PHE  58  -0.785  -3.489   0.924
  473    HE2  PHE  58           HE1      PHE  58   0.196  -5.955  -2.415
  474    HZ   PHE  58           HZ       PHE  58  -1.491  -4.732  -1.080
  475    H    TYR  59           HN       TYR  59   5.494  -7.163   1.229
  476    HA   TYR  59           HA       TYR  59   3.580  -9.210   1.339
  477    HB2  TYR  59           HB2      TYR  59   6.563  -9.284   1.757
  478    HB3  TYR  59           HB1      TYR  59   5.577 -10.717   1.985
  479    HD1  TYR  59           HD1      TYR  59   4.035 -11.343  -0.040
  480    HD2  TYR  59           HD2      TYR  59   7.478  -8.876  -0.311
  481    HE1  TYR  59           HE1      TYR  59   4.235 -11.897  -2.427
  482    HE2  TYR  59           HE2      TYR  59   7.683  -9.406  -2.699
  483    HH   TYR  59           HH       TYR  59   7.039 -11.114  -4.202
  484    H    THR  60           HN       THR  60   5.730  -7.913   3.839
  485    HA   THR  60           HA       THR  60   4.897  -9.585   5.933
  486    HB   THR  60           HB       THR  60   5.598  -6.670   6.272
  487    HG1  THR  60           HG1      THR  60   7.206  -8.867   5.513
  488   HG21  THR  60          HG21      THR  60   6.722  -7.500   8.299
  489   HG22  THR  60          HG22      THR  60   6.231  -9.144   7.897
  490   HG23  THR  60          HG23      THR  60   5.012  -7.934   8.298
  491    H    ASP  61           HN       ASP  61   3.846  -6.332   5.049
  492    HA   ASP  61           HA       ASP  61   1.988  -5.885   7.097
  493    HB2  ASP  61           HB2      ASP  61   3.180  -4.186   5.664
  494    HB3  ASP  61           HB1      ASP  61   2.070  -4.587   4.369
  495    H    LEU  62           HN       LEU  62   1.543  -7.011   3.805
  496    HA   LEU  62           HA       LEU  62  -1.310  -7.027   3.880
  497    HB2  LEU  62           HB2      LEU  62   0.021  -6.698   1.852
  498    HB3  LEU  62           HB1      LEU  62   0.618  -8.332   1.987
  499    HG   LEU  62           HG       LEU  62  -1.695  -9.149   1.655
  500   HD11  LEU  62          HD11      LEU  62  -2.887  -7.170   2.418
  501   HD12  LEU  62          HD12      LEU  62  -3.336  -7.563   0.760
  502   HD13  LEU  62          HD13      LEU  62  -2.219  -6.237   1.082
  503   HD21  LEU  62          HD21      LEU  62  -0.575  -7.361  -0.496
  504   HD22  LEU  62          HD22      LEU  62  -1.735  -8.670  -0.736
  505   HD23  LEU  62          HD23      LEU  62  -0.103  -9.030  -0.175
  506    H    ASN  63           HN       ASN  63   1.187  -9.569   4.151
  507    HA   ASN  63           HA       ASN  63  -0.596 -11.751   3.902
  508    HB2  ASN  63           HB2      ASN  63   1.791 -11.993   3.461
  509    HB3  ASN  63           HB1      ASN  63   2.148 -11.705   5.158
  510   HD21  ASN  63          HD21      ASN  63   0.979 -13.955   2.828
  511   HD22  ASN  63          HD22      ASN  63   0.935 -15.346   3.841
  512    H    ILE  64           HN       ILE  64   0.517 -10.000   6.718
  513    HA   ILE  64           HA       ILE  64  -0.482 -11.987   8.550
  514    HB   ILE  64           HB       ILE  64   0.212 -10.459  10.334
  515   HG12  ILE  64          HG12      ILE  64   0.965  -8.553   8.090
  516   HG13  ILE  64          HG11      ILE  64  -0.364  -8.323   9.218
  517   HG21  ILE  64          HG21      ILE  64   1.865 -11.970   9.382
  518   HG22  ILE  64          HG22      ILE  64   2.625 -10.450   9.853
  519   HG23  ILE  64          HG23      ILE  64   2.278 -10.773   8.156
  520   HD11  ILE  64          HD11      ILE  64   1.553  -6.955   9.806
  521   HD12  ILE  64          HD12      ILE  64   2.565  -8.395   9.917
  522   HD13  ILE  64          HD13      ILE  64   1.241  -8.159  11.059
  523    H    ASP  65           HN       ASP  65  -2.199 -10.077   6.674
  524    HA   ASP  65           HA       ASP  65  -3.985  -9.185   8.801
  525    HB2  ASP  65           HB2      ASP  65  -3.237  -7.272   7.587
  526    HB3  ASP  65           HB1      ASP  65  -3.551  -8.054   6.038
  527    H    GLY  66           HN       GLY  66  -6.125  -9.548   8.674
  528    HA2  GLY  66           HA2      GLY  66  -6.967 -11.604   6.757
  529    HA3  GLY  66           HA1      GLY  66  -7.566 -11.460   8.426
  530    H    ARG  67           HN       ARG  67  -7.208  -8.424   6.796
  531    HA   ARG  67           HA       ARG  67 -10.080  -8.303   6.422
  532    HB2  ARG  67           HB2      ARG  67  -8.767  -6.383   7.479
  533    HB3  ARG  67           HB1      ARG  67  -7.934  -6.194   5.950
  534    HG2  ARG  67           HG2      ARG  67  -9.550  -4.513   5.928
  535    HG3  ARG  67           HG1      ARG  67 -10.254  -5.786   4.939
  536    HD2  ARG  67           HD2      ARG  67 -10.901  -5.299   7.859
  537    HD3  ARG  67           HD1      ARG  67 -11.867  -4.729   6.508
  538    HE   ARG  67           HE       ARG  67 -11.567  -7.503   6.316
  539   HH11  ARG  67          HH11      ARG  67 -13.311  -5.066   8.295
  540   HH12  ARG  67          HH12      ARG  67 -14.519  -6.142   8.776
  541   HH21  ARG  67          HH21      ARG  67 -13.369  -8.997   7.044
  542   HH22  ARG  67          HH22      ARG  67 -14.522  -8.352   8.085
  543    H    PHE  68           HN       PHE  68  -6.991  -8.209   4.863
  544    HA   PHE  68           HA       PHE  68  -8.027  -8.390   2.184
  545    HB2  PHE  68           HB2      PHE  68  -5.501  -7.880   3.446
  546    HB3  PHE  68           HB1      PHE  68  -5.339  -9.145   2.227
  547    HD1  PHE  68           HD2      PHE  68  -5.830  -8.717  -0.076
  548    HD2  PHE  68           HD1      PHE  68  -6.062  -5.650   2.849
  549    HE1  PHE  68           HE2      PHE  68  -5.825  -7.039  -1.853
  550    HE2  PHE  68           HE1      PHE  68  -6.061  -3.963   1.075
  551    HZ   PHE  68           HZ       PHE  68  -5.939  -4.669  -1.284
  552    H    LEU  69           HN       LEU  69  -6.932 -10.238   0.831
  553    HA   LEU  69           HA       LEU  69  -6.629 -12.754   2.131
  554    HB2  LEU  69           HB2      LEU  69  -8.948 -12.585   2.454
  555    HB3  LEU  69           HB1      LEU  69  -9.223 -12.027   0.819
  556    HG   LEU  69           HG       LEU  69  -8.660 -14.264  -0.020
  557   HD11  LEU  69          HD11      LEU  69  -8.448 -15.004   2.890
  558   HD12  LEU  69          HD12      LEU  69  -7.118 -14.929   1.731
  559   HD13  LEU  69          HD13      LEU  69  -8.401 -16.118   1.513
  560   HD21  LEU  69          HD21      LEU  69 -10.758 -14.185   2.132
  561   HD22  LEU  69          HD22      LEU  69 -10.653 -15.391   0.857
  562   HD23  LEU  69          HD23      LEU  69 -10.965 -13.700   0.452
  563    H    ALA  70           HN       ALA  70  -5.330 -13.923   0.787
  564    HA   ALA  70           HA       ALA  70  -5.461 -13.454  -2.082
  565    HB1  ALA  70           HB1      ALA  70  -3.830 -15.278  -2.289
  566    HB2  ALA  70           HB2      ALA  70  -3.815 -15.498  -0.546
  567    HB3  ALA  70           HB3      ALA  70  -3.194 -13.991  -1.262
  568    H    LEU  71           HN       LEU  71  -7.356 -14.049  -2.588
  569    HA   LEU  71           HA       LEU  71  -8.587 -16.379  -1.638
  570    HB2  LEU  71           HB2      LEU  71 -10.257 -15.873  -3.577
  571    HB3  LEU  71           HB1      LEU  71 -10.121 -14.754  -2.240
  572    HG   LEU  71           HG       LEU  71  -8.476 -13.515  -3.853
  573   HD11  LEU  71          HD11      LEU  71 -10.092 -15.088  -5.806
  574   HD12  LEU  71          HD12      LEU  71  -8.350 -15.201  -5.528
  575   HD13  LEU  71          HD13      LEU  71  -9.049 -13.711  -6.163
  576   HD21  LEU  71          HD21      LEU  71 -10.541 -12.584  -3.027
  577   HD22  LEU  71          HD22      LEU  71 -11.463 -13.501  -4.213
  578   HD23  LEU  71          HD23      LEU  71 -10.356 -12.241  -4.743
  579    H    SER  72           HN       SER  72  -9.585 -17.889  -3.545
  580    HA   SER  72           HA       SER  72  -7.796 -19.862  -3.768
  581    HB2  SER  72           HB2      SER  72 -10.153 -19.419  -5.561
  582    HB3  SER  72           HB1      SER  72  -9.327 -20.956  -5.293
  583    HG   SER  72           HG       SER  72 -10.862 -19.413  -3.494
  584    H    ASP  73           HN       ASP  73  -7.352 -17.217  -5.800
  585    HA   ASP  73           HA       ASP  73  -5.598 -18.899  -7.418
  586    HB2  ASP  73           HB2      ASP  73  -7.271 -16.624  -8.456
  587    HB3  ASP  73           HB1      ASP  73  -5.805 -17.119  -9.292
  588    H    GLN  74           HN       GLN  74  -5.259 -17.198  -5.001
  589    HA   GLN  74           HA       GLN  74  -3.564 -16.161  -4.031
  590    HB2  GLN  74           HB2      GLN  74  -2.097 -17.243  -6.410
  591    HB3  GLN  74           HB1      GLN  74  -1.268 -16.080  -5.388
  592    HG2  GLN  74           HG2      GLN  74  -0.717 -18.367  -4.740
  593    HG3  GLN  74           HG1      GLN  74  -1.574 -17.536  -3.451
  594   HE21  GLN  74          HE21      GLN  74  -2.988 -18.979  -6.320
  595   HE22  GLN  74          HE22      GLN  74  -3.940 -20.149  -5.504
  596    H    THR  75           HN       THR  75  -5.124 -15.026  -6.351
  597    HA   THR  75           HA       THR  75  -3.877 -12.439  -6.660
  598    HB   THR  75           HB       THR  75  -6.205 -11.893  -7.630
  599    HG1  THR  75           HG1      THR  75  -7.034 -13.798  -6.426
  600   HG21  THR  75          HG21      THR  75  -5.783 -13.127  -9.717
  601   HG22  THR  75          HG22      THR  75  -4.661 -14.188  -8.868
  602   HG23  THR  75          HG23      THR  75  -4.276 -12.480  -9.070
  603    H    TRP  76           HN       TRP  76  -4.619 -10.555  -5.520
  604    HA   TRP  76           HA       TRP  76  -5.727 -11.385  -2.991
  605    HB2  TRP  76           HB2      TRP  76  -4.124  -8.949  -3.764
  606    HB3  TRP  76           HB1      TRP  76  -4.813  -9.213  -2.164
  607    HD1  TRP  76           HD1      TRP  76  -2.129 -10.660  -4.523
  608    HE1  TRP  76           HE1      TRP  76  -0.446 -12.000  -3.123
  609    HE3  TRP  76           HE3      TRP  76  -4.485 -10.418   0.010
  610    HZ2  TRP  76           HZ2      TRP  76  -0.147 -12.841  -0.425
  611    HZ3  TRP  76           HZ3      TRP  76  -3.435 -11.511   1.946
  612    HH2  TRP  76           HH2      TRP  76  -1.311 -12.696   1.731
  613    H    GLY  77           HN       GLY  77  -7.400 -10.497  -2.099
  614    HA2  GLY  77           HA2      GLY  77  -8.764  -8.276  -3.326
  615    HA3  GLY  77           HA1      GLY  77  -9.631  -9.818  -3.280
  616    H    LEU  78           HN       LEU  78 -10.998  -8.316  -1.908
  617    HA   LEU  78           HA       LEU  78  -9.968  -8.150   0.815
  618    HB2  LEU  78           HB2      LEU  78 -12.412  -6.936  -0.451
  619    HB3  LEU  78           HB1      LEU  78 -12.006  -6.800   1.247
  620    HG   LEU  78           HG       LEU  78 -10.352  -5.722  -1.027
  621   HD11  LEU  78          HD11      LEU  78 -11.096  -3.536  -0.211
  622   HD12  LEU  78          HD12      LEU  78 -12.158  -4.338   0.951
  623   HD13  LEU  78          HD13      LEU  78 -12.443  -4.521  -0.778
  624   HD21  LEU  78          HD21      LEU  78 -10.067  -5.449   1.965
  625   HD22  LEU  78          HD22      LEU  78  -9.124  -4.576   0.759
  626   HD23  LEU  78          HD23      LEU  78  -8.977  -6.323   0.883
  627    H    ARG  79           HN       ARG  79 -10.660  -9.409   2.334
  628    HA   ARG  79           HA       ARG  79 -12.342 -11.635   1.796
  629    HB2  ARG  79           HB2      ARG  79 -10.574 -11.833   3.416
  630    HB3  ARG  79           HB1      ARG  79 -11.169 -10.449   4.314
  631    HG2  ARG  79           HG2      ARG  79 -13.183 -11.763   4.901
  632    HG3  ARG  79           HG1      ARG  79 -12.455 -13.142   4.068
  633    HD2  ARG  79           HD2      ARG  79 -10.761 -13.362   5.622
  634    HD3  ARG  79           HD1      ARG  79 -10.956 -11.716   6.221
  635    HE   ARG  79           HE       ARG  79 -12.944 -13.843   6.688
  636   HH11  ARG  79          HH11      ARG  79 -10.904 -11.209   7.919
  637   HH12  ARG  79          HH12      ARG  79 -11.693 -11.070   9.409
  638   HH21  ARG  79          HH21      ARG  79 -14.020 -13.728   8.752
  639   HH22  ARG  79          HH22      ARG  79 -13.487 -12.620   9.918
  640    H    SER  80           HN       SER  80 -12.761  -8.418   3.000
  641    HA   SER  80           HA       SER  80 -15.137  -8.751   4.436
  642    HB2  SER  80           HB2      SER  80 -14.985  -6.171   4.158
  643    HB3  SER  80           HB1      SER  80 -13.822  -7.048   5.161
  644    HG   SER  80           HG       SER  80 -13.367  -5.540   3.073
  645    H    TRP  81           HN       TRP  81 -14.711  -8.739   1.059
  646    HA   TRP  81           HA       TRP  81 -17.154  -7.340   0.388
  647    HB2  TRP  81           HB2      TRP  81 -15.565  -9.376  -1.185
  648    HB3  TRP  81           HB1      TRP  81 -16.983  -8.549  -1.799
  649    HD1  TRP  81           HD1      TRP  81 -16.193  -5.581  -0.894
  650    HE1  TRP  81           HE1      TRP  81 -14.317  -4.389  -2.162
  651    HE3  TRP  81           HE3      TRP  81 -13.794  -9.697  -2.837
  652    HZ2  TRP  81           HZ2      TRP  81 -12.131  -5.093  -3.805
  653    HZ3  TRP  81           HZ3      TRP  81 -11.839  -9.320  -4.260
  654    HH2  TRP  81           HH2      TRP  81 -11.026  -7.068  -4.728
  655    H    TYR  82           HN       TYR  82 -16.313 -10.334   1.628
  656    HA   TYR  82           HA       TYR  82 -18.920 -11.555   1.014
  657    HB2  TYR  82           HB2      TYR  82 -16.390 -13.102   1.470
  658    HB3  TYR  82           HB1      TYR  82 -17.816 -13.567   0.570
  659    HD1  TYR  82           HD1      TYR  82 -14.698 -11.615   0.457
  660    HD2  TYR  82           HD2      TYR  82 -17.911 -13.179  -1.844
  661    HE1  TYR  82           HE1      TYR  82 -13.420 -11.227  -1.572
  662    HE2  TYR  82           HE2      TYR  82 -16.636 -12.779  -3.886
  663    HH   TYR  82           HH       TYR  82 -13.275 -11.924  -3.757
  Start of MODEL   18
    1    H1   GLY   2           HT1      GLY   2 -11.832   6.767  -5.760
    2    H2   GLY   2           HT2      GLY   2 -11.233   8.216  -6.279
    3    H3   GLY   2           HT3      GLY   2 -12.785   8.175  -5.626
    4    HA2  GLY   2           HA1      GLY   2 -11.138   9.061  -4.034
    5    HA3  GLY   2           HA2      GLY   2 -11.662   7.466  -3.488
    6    H    ILE   3           HN       ILE   3  -9.478   7.870  -2.430
    7    HA   ILE   3           HA       ILE   3  -7.397   7.387  -2.060
    8    HB   ILE   3           HB       ILE   3  -8.304   5.085  -2.359
    9   HG12  ILE   3          HG12      ILE   3  -6.095   3.913  -2.498
   10   HG13  ILE   3          HG11      ILE   3  -5.384   5.436  -3.003
   11   HG21  ILE   3          HG21      ILE   3  -6.980   5.141  -5.065
   12   HG22  ILE   3          HG22      ILE   3  -8.711   5.038  -4.747
   13   HG23  ILE   3          HG23      ILE   3  -7.647   3.712  -4.273
   14   HD11  ILE   3          HD11      ILE   3  -6.765   4.965  -0.384
   15   HD12  ILE   3          HD12      ILE   3  -5.941   6.444  -0.884
   16   HD13  ILE   3          HD13      ILE   3  -5.025   4.963  -0.636
   17    H    LYS   4           HN       LYS   4  -7.762   7.891  -5.482
   18    HA   LYS   4           HA       LYS   4  -4.964   8.080  -6.039
   19    HB2  LYS   4           HB2      LYS   4  -6.632   7.561  -7.777
   20    HB3  LYS   4           HB1      LYS   4  -7.333   9.156  -7.598
   21    HG2  LYS   4           HG2      LYS   4  -5.948   9.036  -9.592
   22    HG3  LYS   4           HG1      LYS   4  -5.244  10.155  -8.424
   23    HD2  LYS   4           HD2      LYS   4  -3.644   8.472  -7.728
   24    HD3  LYS   4           HD1      LYS   4  -4.387   7.281  -8.801
   25    HE2  LYS   4           HE2      LYS   4  -2.359   8.174  -9.796
   26    HE3  LYS   4           HE1      LYS   4  -3.769   8.665 -10.725
   27    HZ1  LYS   4           HZ1      LYS   4  -2.319  10.380  -8.768
   28    HZ2  LYS   4           HZ2      LYS   4  -3.637  10.866  -9.685
   29    HZ3  LYS   4           HZ3      LYS   4  -2.196  10.466 -10.428
   30    H    GLN   5           HN       GLN   5  -7.239  10.180  -4.677
   31    HA   GLN   5           HA       GLN   5  -5.896  12.660  -5.264
   32    HB2  GLN   5           HB2      GLN   5  -7.584  13.652  -3.745
   33    HB3  GLN   5           HB1      GLN   5  -8.287  12.687  -5.033
   34    HG2  GLN   5           HG2      GLN   5  -8.518  10.808  -3.417
   35    HG3  GLN   5           HG1      GLN   5  -7.945  11.891  -2.153
   36   HE21  GLN   5          HE21      GLN   5 -10.516  11.191  -4.349
   37   HE22  GLN   5          HE22      GLN   5 -11.729  12.123  -3.546
   38    H    TYR   6           HN       TYR   6  -4.877  10.299  -3.361
   39    HA   TYR   6           HA       TYR   6  -4.139  11.874  -1.014
   40    HB2  TYR   6           HB2      TYR   6  -3.495   9.010  -1.771
   41    HB3  TYR   6           HB1      TYR   6  -2.988   9.783  -0.291
   42    HD1  TYR   6           HD1      TYR   6  -6.339  10.265  -1.703
   43    HD2  TYR   6           HD2      TYR   6  -4.017   8.157   1.142
   44    HE1  TYR   6           HE1      TYR   6  -8.367   9.464  -0.665
   45    HE2  TYR   6           HE2      TYR   6  -6.076   7.342   2.218
   46    HH   TYR   6           HH       TYR   6  -9.128   7.748   0.666
   47    H    SER   7           HN       SER   7  -2.277  12.999  -0.995
   48    HA   SER   7           HA       SER   7  -0.368  12.824  -3.071
   49    HB2  SER   7           HB2      SER   7  -0.075  14.004  -0.296
   50    HB3  SER   7           HB1      SER   7   0.869  14.430  -1.721
   51    HG   SER   7           HG       SER   7  -1.204  15.655  -0.948
   52    H    GLN   8           HN       GLN   8   1.990  12.164  -2.645
   53    HA   GLN   8           HA       GLN   8   1.950   9.487  -1.784
   54    HB2  GLN   8           HB2      GLN   8   4.344   9.369  -2.104
   55    HB3  GLN   8           HB1      GLN   8   3.596  10.206  -3.454
   56    HG2  GLN   8           HG2      GLN   8   4.578  12.138  -2.980
   57    HG3  GLN   8           HG1      GLN   8   4.599  11.872  -1.238
   58   HE21  GLN   8          HE21      GLN   8   6.337  11.316  -4.229
   59   HE22  GLN   8          HE22      GLN   8   7.756  10.701  -3.460
   60    H    GLU   9           HN       GLU   9   2.885  12.375  -0.099
   61    HA   GLU   9           HA       GLU   9   4.260  11.359   2.063
   62    HB2  GLU   9           HB2      GLU   9   2.206  13.557   2.335
   63    HB3  GLU   9           HB1      GLU   9   3.653  13.321   3.293
   64    HG2  GLU   9           HG2      GLU   9   4.243  15.083   1.947
   65    HG3  GLU   9           HG1      GLU   9   4.894  13.715   1.048
   66    H    GLU  10           HN       GLU  10   0.790  11.669   1.610
   67    HA   GLU  10           HA       GLU  10  -0.237  10.780   4.057
   68    HB2  GLU  10           HB2      GLU  10  -1.547  11.800   2.217
   69    HB3  GLU  10           HB1      GLU  10  -1.253  10.387   1.226
   70    HG2  GLU  10           HG2      GLU  10  -3.466  10.222   2.039
   71    HG3  GLU  10           HG1      GLU  10  -2.510   9.053   2.945
   72    H    LEU  11           HN       LEU  11   0.362   9.134   1.090
   73    HA   LEU  11           HA       LEU  11  -0.314   6.514   1.808
   74    HB2  LEU  11           HB2      LEU  11   1.425   7.571  -0.391
   75    HB3  LEU  11           HB1      LEU  11   0.651   5.990  -0.360
   76    HG   LEU  11           HG       LEU  11  -0.930   8.560  -0.274
   77   HD11  LEU  11          HD11      LEU  11   0.332   8.576  -2.331
   78   HD12  LEU  11          HD12      LEU  11  -1.368   8.257  -2.644
   79   HD13  LEU  11          HD13      LEU  11  -0.201   6.937  -2.691
   80   HD21  LEU  11          HD21      LEU  11  -2.090   6.612   0.504
   81   HD22  LEU  11          HD22      LEU  11  -1.654   5.725  -0.958
   82   HD23  LEU  11          HD23      LEU  11  -2.742   7.112  -1.057
   83    H    LYS  12           HN       LYS  12   2.654   8.309   2.020
   84    HA   LYS  12           HA       LYS  12   4.466   6.154   2.433
   85    HB2  LYS  12           HB2      LYS  12   4.575   9.098   2.984
   86    HB3  LYS  12           HB1      LYS  12   5.894   8.058   3.466
   87    HG2  LYS  12           HG2      LYS  12   4.904   8.252   0.634
   88    HG3  LYS  12           HG1      LYS  12   6.152   9.306   1.292
   89    HD2  LYS  12           HD2      LYS  12   7.527   7.330   1.807
   90    HD3  LYS  12           HD1      LYS  12   6.275   6.293   1.118
   91    HE2  LYS  12           HE2      LYS  12   6.583   7.214  -1.044
   92    HE3  LYS  12           HE1      LYS  12   7.612   8.503  -0.431
   93    HZ1  LYS  12           HZ1      LYS  12   8.856   6.702  -1.534
   94    HZ2  LYS  12           HZ2      LYS  12   8.366   5.614  -0.320
   95    HZ3  LYS  12           HZ3      LYS  12   9.307   6.948   0.053
   96    H    GLU  13           HN       GLU  13   2.551   8.188   4.617
   97    HA   GLU  13           HA       GLU  13   3.857   7.109   6.947
   98    HB2  GLU  13           HB2      GLU  13   1.410   8.843   6.695
   99    HB3  GLU  13           HB1      GLU  13   2.133   8.359   8.220
  100    HG2  GLU  13           HG2      GLU  13   3.345  10.085   6.089
  101    HG3  GLU  13           HG1      GLU  13   2.838  10.563   7.708
  102    H    MET  14           HN       MET  14   0.800   6.721   5.327
  103    HA   MET  14           HA       MET  14  -0.118   4.933   7.370
  104    HB2  MET  14           HB2      MET  14  -1.384   5.753   4.758
  105    HB3  MET  14           HB1      MET  14  -2.161   4.744   5.977
  106    HG2  MET  14           HG2      MET  14  -1.228   7.581   6.344
  107    HG3  MET  14           HG1      MET  14  -2.900   7.041   6.183
  108    HE1  MET  14           HE1      MET  14  -3.372   8.440   8.599
  109    HE2  MET  14           HE2      MET  14  -1.663   8.859   8.513
  110    HE3  MET  14           HE3      MET  14  -2.326   8.185   9.997
  111    H    ALA  15           HN       ALA  15  -0.521   2.796   7.167
  112    HA   ALA  15           HA       ALA  15   1.417   1.311   5.827
  113    HB1  ALA  15           HB1      ALA  15   0.285   0.555   7.862
  114    HB2  ALA  15           HB2      ALA  15   0.183  -0.650   6.577
  115    HB3  ALA  15           HB3      ALA  15  -1.212   0.361   6.953
  116    H    LEU  16           HN       LEU  16   1.421   0.242   3.913
  117    HA   LEU  16           HA       LEU  16  -0.483   1.249   2.099
  118    HB2  LEU  16           HB2      LEU  16   0.681   0.261   0.242
  119    HB3  LEU  16           HB1      LEU  16   1.796   1.085   1.299
  120    HG   LEU  16           HG       LEU  16   1.462  -1.905   1.055
  121   HD11  LEU  16          HD11      LEU  16   2.391  -0.943  -0.945
  122   HD12  LEU  16          HD12      LEU  16   3.663  -1.787  -0.060
  123   HD13  LEU  16          HD13      LEU  16   3.565  -0.032  -0.000
  124   HD21  LEU  16          HD21      LEU  16   2.257  -1.294   3.276
  125   HD22  LEU  16          HD22      LEU  16   3.508  -0.273   2.567
  126   HD23  LEU  16          HD23      LEU  16   3.563  -2.022   2.341
  127    H    VAL  17           HN       VAL  17  -0.521  -1.603   3.942
  128    HA   VAL  17           HA       VAL  17  -2.336  -3.018   2.321
  129    HB   VAL  17           HB       VAL  17  -1.243  -4.013   4.342
  130   HG11  VAL  17          HG11      VAL  17  -3.174  -2.330   5.923
  131   HG12  VAL  17          HG12      VAL  17  -1.418  -2.178   5.896
  132   HG13  VAL  17          HG13      VAL  17  -2.168  -3.624   6.576
  133   HG21  VAL  17          HG21      VAL  17  -4.254  -4.143   4.391
  134   HG22  VAL  17          HG22      VAL  17  -3.165  -5.316   5.131
  135   HG23  VAL  17          HG23      VAL  17  -3.184  -5.109   3.379
  136    H    GLU  18           HN       GLU  18  -2.802  -0.250   4.407
  137    HA   GLU  18           HA       GLU  18  -5.668  -0.337   4.441
  138    HB2  GLU  18           HB2      GLU  18  -3.906   2.113   4.705
  139    HB3  GLU  18           HB1      GLU  18  -5.554   1.936   5.275
  140    HG2  GLU  18           HG2      GLU  18  -3.122   0.546   6.354
  141    HG3  GLU  18           HG1      GLU  18  -3.991   1.874   7.117
  142    H    ILE  19           HN       ILE  19  -3.190   1.091   2.523
  143    HA   ILE  19           HA       ILE  19  -4.762   2.714   0.820
  144    HB   ILE  19           HB       ILE  19  -2.081   1.423   0.242
  145   HG12  ILE  19          HG12      ILE  19  -1.862   2.610   2.323
  146   HG13  ILE  19          HG11      ILE  19  -1.098   3.592   1.077
  147   HG21  ILE  19          HG21      ILE  19  -1.693   3.286  -1.277
  148   HG22  ILE  19          HG22      ILE  19  -3.297   3.917  -0.928
  149   HG23  ILE  19          HG23      ILE  19  -3.122   2.366  -1.749
  150   HD11  ILE  19          HD11      ILE  19  -3.774   4.010   2.375
  151   HD12  ILE  19          HD12      ILE  19  -3.157   4.976   1.039
  152   HD13  ILE  19          HD13      ILE  19  -2.310   4.972   2.597
  153    H    ALA  20           HN       ALA  20  -3.359  -0.492   0.466
  154    HA   ALA  20           HA       ALA  20  -4.397  -1.240  -1.992
  155    HB1  ALA  20           HB1      ALA  20  -2.666  -2.499  -0.769
  156    HB2  ALA  20           HB2      ALA  20  -3.987  -3.529  -1.305
  157    HB3  ALA  20           HB3      ALA  20  -3.892  -3.029   0.383
  158    H    HIS  21           HN       HIS  21  -5.795  -1.511   1.243
  159    HA   HIS  21           HA       HIS  21  -8.148  -2.839   0.716
  160    HB2  HIS  21           HB2      HIS  21  -7.460  -2.231   2.989
  161    HB3  HIS  21           HB1      HIS  21  -7.682  -0.519   2.615
  162    HD1  HIS  21           HD1      HIS  21 -10.152   0.385   2.619
  163    HD2  HIS  21           HD2      HIS  21  -9.769  -3.636   3.624
  164    HE1  HIS  21           HE1      HIS  21 -12.378  -0.305   3.479
  165    HE2  HIS  21           HE2      HIS  21 -11.966  -2.565   4.449
  166    H    GLU  22           HN       GLU  22  -7.446   0.626   0.333
  167    HA   GLU  22           HA       GLU  22 -10.077   1.284  -0.419
  168    HB2  GLU  22           HB2      GLU  22  -7.562   2.829  -1.031
  169    HB3  GLU  22           HB1      GLU  22  -9.207   3.443  -1.143
  170    HG2  GLU  22           HG2      GLU  22  -7.698   2.653   1.334
  171    HG3  GLU  22           HG1      GLU  22  -8.281   4.253   0.888
  172    H    LEU  23           HN       LEU  23  -7.278   0.303  -2.373
  173    HA   LEU  23           HA       LEU  23  -8.405   0.827  -4.922
  174    HB2  LEU  23           HB2      LEU  23  -6.555  -1.430  -4.111
  175    HB3  LEU  23           HB1      LEU  23  -7.184  -1.311  -5.731
  176    HG   LEU  23           HG       LEU  23  -5.018  -0.513  -5.840
  177   HD11  LEU  23          HD11      LEU  23  -6.555   0.905  -7.047
  178   HD12  LEU  23          HD12      LEU  23  -5.195   1.842  -6.435
  179   HD13  LEU  23          HD13      LEU  23  -6.759   1.940  -5.631
  180   HD21  LEU  23          HD21      LEU  23  -5.575   1.144  -3.386
  181   HD22  LEU  23          HD22      LEU  23  -4.118   1.252  -4.380
  182   HD23  LEU  23          HD23      LEU  23  -4.493  -0.246  -3.550
  183    H    PHE  24           HN       PHE  24  -8.694  -1.972  -2.861
  184    HA   PHE  24           HA       PHE  24 -10.408  -3.302  -4.707
  185    HB2  PHE  24           HB2      PHE  24  -9.639  -4.020  -1.891
  186    HB3  PHE  24           HB1      PHE  24 -10.611  -5.042  -2.953
  187    HD1  PHE  24           HD1      PHE  24  -9.626  -5.628  -5.205
  188    HD2  PHE  24           HD2      PHE  24  -7.337  -4.148  -1.983
  189    HE1  PHE  24           HE1      PHE  24  -7.609  -6.504  -6.255
  190    HE2  PHE  24           HE2      PHE  24  -5.288  -5.026  -3.024
  191    HZ   PHE  24           HZ       PHE  24  -5.435  -6.207  -5.180
  192    H    GLU  25           HN       GLU  25 -10.954  -1.202  -2.065
  193    HA   GLU  25           HA       GLU  25 -13.707  -1.868  -1.778
  194    HB2  GLU  25           HB2      GLU  25 -12.473  -0.674  -0.001
  195    HB3  GLU  25           HB1      GLU  25 -12.273   0.706  -1.067
  196    HG2  GLU  25           HG2      GLU  25 -14.052   1.042   0.600
  197    HG3  GLU  25           HG1      GLU  25 -14.651   1.121  -1.056
  198    H    GLU  26           HN       GLU  26 -11.967   0.618  -3.601
  199    HA   GLU  26           HA       GLU  26 -14.308   1.768  -4.740
  200    HB2  GLU  26           HB2      GLU  26 -12.228   3.037  -4.550
  201    HB3  GLU  26           HB1      GLU  26 -11.423   1.910  -5.632
  202    HG2  GLU  26           HG2      GLU  26 -12.984   2.571  -7.427
  203    HG3  GLU  26           HG1      GLU  26 -13.692   3.757  -6.338
  204    H    HIS  27           HN       HIS  27 -11.854  -0.454  -6.002
  205    HA   HIS  27           HA       HIS  27 -13.214  -0.618  -8.547
  206    HB2  HIS  27           HB2      HIS  27 -10.714  -2.052  -7.589
  207    HB3  HIS  27           HB1      HIS  27 -11.345  -2.125  -9.229
  208    HD1  HIS  27           HD1      HIS  27  -8.441  -0.901  -8.465
  209    HD2  HIS  27           HD2      HIS  27 -11.936   1.245  -9.220
  210    HE1  HIS  27           HE1      HIS  27  -7.717   1.409  -8.976
  211    HE2  HIS  27           HE2      HIS  27  -9.899   2.698  -8.928
  212    H    LYS  28           HN       LYS  28 -12.811  -2.658  -5.725
  213    HA   LYS  28           HA       LYS  28 -13.556  -4.696  -5.115
  214    HB2  LYS  28           HB2      LYS  28 -15.903  -4.289  -6.966
  215    HB3  LYS  28           HB1      LYS  28 -15.856  -5.180  -5.467
  216    HG2  LYS  28           HG2      LYS  28 -15.536  -3.068  -4.245
  217    HG3  LYS  28           HG1      LYS  28 -15.707  -2.198  -5.771
  218    HD2  LYS  28           HD2      LYS  28 -17.922  -3.417  -6.029
  219    HD3  LYS  28           HD1      LYS  28 -17.743  -3.856  -4.329
  220    HE2  LYS  28           HE2      LYS  28 -17.841  -1.081  -5.478
  221    HE3  LYS  28           HE1      LYS  28 -19.113  -1.866  -4.562
  222    HZ1  LYS  28           HZ1      LYS  28 -16.418  -1.190  -3.517
  223    HZ2  LYS  28           HZ2      LYS  28 -17.691  -1.794  -2.592
  224    HZ3  LYS  28           HZ3      LYS  28 -17.786  -0.259  -3.350
  225    H    LYS  29           HN       LYS  29 -11.751  -4.718  -7.106
  226    HA   LYS  29           HA       LYS  29 -12.617  -6.745  -9.026
  227    HB2  LYS  29           HB2      LYS  29 -10.447  -4.655  -9.126
  228    HB3  LYS  29           HB1      LYS  29 -10.581  -5.945 -10.299
  229    HG2  LYS  29           HG2      LYS  29 -12.719  -3.876  -9.786
  230    HG3  LYS  29           HG1      LYS  29 -11.488  -3.738 -11.040
  231    HD2  LYS  29           HD2      LYS  29 -13.507  -5.970 -10.819
  232    HD3  LYS  29           HD1      LYS  29 -13.649  -4.585 -11.902
  233    HE2  LYS  29           HE2      LYS  29 -11.525  -5.260 -12.978
  234    HE3  LYS  29           HE1      LYS  29 -11.471  -6.661 -11.913
  235    HZ1  LYS  29           HZ1      LYS  29 -13.580  -6.089 -13.900
  236    HZ2  LYS  29           HZ2      LYS  29 -13.549  -7.426 -12.892
  237    HZ3  LYS  29           HZ3      LYS  29 -12.351  -7.222 -14.066
  238    HA   PRO  30           HA       PRO  30  -9.531  -9.112  -6.768
  239    HB2  PRO  30           HB2      PRO  30  -9.665 -11.128  -8.834
  240    HB3  PRO  30           HB1      PRO  30 -10.236 -11.207  -7.187
  241    HG2  PRO  30           HG2      PRO  30 -11.917 -11.148  -9.362
  242    HG3  PRO  30           HG1      PRO  30 -12.370 -10.695  -7.714
  243    HD2  PRO  30           HD2      PRO  30 -11.715  -8.974 -10.040
  244    HD3  PRO  30           HD1      PRO  30 -12.846  -8.702  -8.696
  245    H    VAL  31           HN       VAL  31  -7.565  -8.235  -7.070
  246    HA   VAL  31           HA       VAL  31  -6.552  -8.072  -9.817
  247    HB   VAL  31           HB       VAL  31  -5.948  -6.176  -7.520
  248   HG11  VAL  31          HG11      VAL  31  -5.167  -6.011 -10.421
  249   HG12  VAL  31          HG12      VAL  31  -4.092  -6.325  -9.059
  250   HG13  VAL  31          HG13      VAL  31  -4.892  -4.760  -9.210
  251   HG21  VAL  31          HG21      VAL  31  -7.243  -4.512  -8.765
  252   HG22  VAL  31          HG22      VAL  31  -8.238  -5.888  -8.282
  253   HG23  VAL  31          HG23      VAL  31  -7.683  -5.744  -9.946
  254    HA   PRO  32           HA       PRO  32  -3.147 -10.676  -8.456
  255    HB2  PRO  32           HB2      PRO  32  -1.768  -9.119 -10.593
  256    HB3  PRO  32           HB1      PRO  32  -1.840 -10.870 -10.361
  257    HG2  PRO  32           HG2      PRO  32  -3.276  -9.735 -12.266
  258    HG3  PRO  32           HG1      PRO  32  -3.961 -11.034 -11.271
  259    HD2  PRO  32           HD2      PRO  32  -4.432  -8.091 -11.120
  260    HD3  PRO  32           HD1      PRO  32  -5.577  -9.442 -10.929
  261    H    PHE  33           HN       PHE  33  -1.313 -10.377  -7.287
  262    HA   PHE  33           HA       PHE  33  -1.004  -8.198  -5.655
  263    HB2  PHE  33           HB2      PHE  33  -0.134 -10.443  -5.202
  264    HB3  PHE  33           HB1      PHE  33   1.056 -10.247  -6.492
  265    HD1  PHE  33           HD1      PHE  33  -0.012  -8.901  -3.212
  266    HD2  PHE  33           HD2      PHE  33   3.137  -9.344  -6.030
  267    HE1  PHE  33           HE1      PHE  33   1.581  -8.025  -1.562
  268    HE2  PHE  33           HE2      PHE  33   4.730  -8.463  -4.402
  269    HZ   PHE  33           HZ       PHE  33   3.958  -7.802  -2.151
  270    H    GLN  34           HN       GLN  34   0.769  -8.993  -8.564
  271    HA   GLN  34           HA       GLN  34   2.631  -6.924  -8.640
  272    HB2  GLN  34           HB2      GLN  34   1.244  -8.368 -10.881
  273    HB3  GLN  34           HB1      GLN  34   2.646  -7.350 -11.119
  274    HG2  GLN  34           HG2      GLN  34   2.539  -9.840  -9.415
  275    HG3  GLN  34           HG1      GLN  34   3.212  -9.746 -11.043
  276   HE21  GLN  34          HE21      GLN  34   4.432  -7.081 -10.469
  277   HE22  GLN  34          HE22      GLN  34   5.775  -7.446  -9.474
  278    H    GLU  35           HN       GLU  35  -0.700  -6.959  -9.934
  279    HA   GLU  35           HA       GLU  35  -0.271  -4.454 -11.234
  280    HB2  GLU  35           HB2      GLU  35  -2.627  -6.317 -11.165
  281    HB3  GLU  35           HB1      GLU  35  -2.607  -4.806 -12.061
  282    HG2  GLU  35           HG2      GLU  35  -0.633  -7.042 -12.478
  283    HG3  GLU  35           HG1      GLU  35  -2.095  -6.815 -13.435
  284    H    LEU  36           HN       LEU  36  -1.795  -5.642  -8.335
  285    HA   LEU  36           HA       LEU  36  -3.231  -3.249  -7.866
  286    HB2  LEU  36           HB2      LEU  36  -3.574  -4.035  -5.567
  287    HB3  LEU  36           HB1      LEU  36  -3.861  -5.325  -6.701
  288    HG   LEU  36           HG       LEU  36  -1.439  -6.079  -6.072
  289   HD11  LEU  36          HD11      LEU  36  -0.814  -4.109  -4.798
  290   HD12  LEU  36          HD12      LEU  36  -0.770  -5.567  -3.809
  291   HD13  LEU  36          HD13      LEU  36  -2.112  -4.432  -3.644
  292   HD21  LEU  36          HD21      LEU  36  -3.710  -6.352  -4.123
  293   HD22  LEU  36          HD22      LEU  36  -2.302  -7.401  -4.218
  294   HD23  LEU  36          HD23      LEU  36  -3.452  -7.347  -5.557
  295    H    LEU  37           HN       LEU  37   0.004  -4.321  -7.199
  296    HA   LEU  37           HA       LEU  37   0.787  -2.110  -5.629
  297    HB2  LEU  37           HB2      LEU  37   2.346  -4.041  -7.311
  298    HB3  LEU  37           HB1      LEU  37   3.093  -2.819  -6.300
  299    HG   LEU  37           HG       LEU  37   1.265  -4.959  -5.229
  300   HD11  LEU  37          HD11      LEU  37   3.235  -5.956  -6.250
  301   HD12  LEU  37          HD12      LEU  37   3.296  -6.064  -4.491
  302   HD13  LEU  37          HD13      LEU  37   4.256  -4.848  -5.336
  303   HD21  LEU  37          HD21      LEU  37   1.454  -2.966  -3.832
  304   HD22  LEU  37          HD22      LEU  37   3.208  -3.064  -3.911
  305   HD23  LEU  37          HD23      LEU  37   2.292  -4.329  -3.094
  306    H    ASN  38           HN       ASN  38   0.549  -2.701  -9.023
  307    HA   ASN  38           HA       ASN  38   1.914  -0.312  -9.716
  308    HB2  ASN  38           HB2      ASN  38   0.247  -2.215 -11.334
  309    HB3  ASN  38           HB1      ASN  38   0.828  -0.694 -12.021
  310   HD21  ASN  38          HD21      ASN  38   1.580  -3.586 -12.528
  311   HD22  ASN  38          HD22      ASN  38   3.281  -3.572 -12.361
  312    H    GLU  39           HN       GLU  39  -1.481  -1.091  -9.164
  313    HA   GLU  39           HA       GLU  39  -2.401   1.493  -9.872
  314    HB2  GLU  39           HB2      GLU  39  -3.615  -0.371  -7.791
  315    HB3  GLU  39           HB1      GLU  39  -4.409   1.021  -8.501
  316    HG2  GLU  39           HG2      GLU  39  -4.171  -0.166 -10.732
  317    HG3  GLU  39           HG1      GLU  39  -3.718  -1.593  -9.807
  318    H    ILE  40           HN       ILE  40  -1.309   0.046  -6.850
  319    HA   ILE  40           HA       ILE  40  -1.519   2.276  -5.201
  320    HB   ILE  40           HB       ILE  40   0.456  -0.033  -5.074
  321   HG12  ILE  40          HG12      ILE  40  -2.063   0.521  -3.491
  322   HG13  ILE  40          HG11      ILE  40  -1.924  -0.629  -4.814
  323   HG21  ILE  40          HG21      ILE  40   1.422   1.829  -3.856
  324   HG22  ILE  40          HG22      ILE  40   0.873   0.587  -2.730
  325   HG23  ILE  40          HG23      ILE  40  -0.080   2.052  -2.959
  326   HD11  ILE  40          HD11      ILE  40  -1.881  -1.731  -2.649
  327   HD12  ILE  40          HD12      ILE  40  -0.467  -0.784  -2.180
  328   HD13  ILE  40          HD13      ILE  40  -0.354  -1.949  -3.499
  329    H    ALA  41           HN       ALA  41   1.187   1.280  -7.254
  330    HA   ALA  41           HA       ALA  41   2.916   3.364  -6.531
  331    HB1  ALA  41           HB1      ALA  41   3.661   1.346  -7.666
  332    HB2  ALA  41           HB2      ALA  41   4.199   2.811  -8.492
  333    HB3  ALA  41           HB3      ALA  41   2.848   1.873  -9.145
  334    H    SER  42           HN       SER  42   0.334   3.260  -8.869
  335    HA   SER  42           HA       SER  42   1.013   5.812  -9.957
  336    HB2  SER  42           HB2      SER  42  -0.322   4.132 -11.245
  337    HB3  SER  42           HB1      SER  42  -1.623   4.302 -10.073
  338    HG   SER  42           HG       SER  42  -0.630   6.228 -11.884
  339    H    LEU  43           HN       LEU  43  -0.958   4.720  -7.303
  340    HA   LEU  43           HA       LEU  43  -2.272   7.150  -6.721
  341    HB2  LEU  43           HB2      LEU  43  -1.309   5.051  -4.782
  342    HB3  LEU  43           HB1      LEU  43  -2.503   6.282  -4.448
  343    HG   LEU  43           HG       LEU  43  -2.830   4.000  -6.386
  344   HD11  LEU  43          HD11      LEU  43  -4.462   3.227  -4.705
  345   HD12  LEU  43          HD12      LEU  43  -3.857   4.488  -3.618
  346   HD13  LEU  43          HD13      LEU  43  -2.798   3.202  -4.131
  347   HD21  LEU  43          HD21      LEU  43  -4.111   5.981  -7.043
  348   HD22  LEU  43          HD22      LEU  43  -4.806   6.056  -5.421
  349   HD23  LEU  43          HD23      LEU  43  -5.163   4.687  -6.471
  350    H    LEU  44           HN       LEU  44   0.715   5.725  -5.528
  351    HA   LEU  44           HA       LEU  44   1.449   8.110  -4.116
  352    HB2  LEU  44           HB2      LEU  44   3.006   5.612  -4.765
  353    HB3  LEU  44           HB1      LEU  44   3.711   6.974  -3.942
  354    HG   LEU  44           HG       LEU  44   1.995   6.567  -2.111
  355   HD11  LEU  44          HD11      LEU  44   1.722   3.950  -3.544
  356   HD12  LEU  44          HD12      LEU  44   0.457   5.154  -3.367
  357   HD13  LEU  44          HD13      LEU  44   1.086   4.314  -1.941
  358   HD21  LEU  44          HD21      LEU  44   4.325   6.013  -1.856
  359   HD22  LEU  44          HD22      LEU  44   4.079   4.493  -2.710
  360   HD23  LEU  44          HD23      LEU  44   3.327   4.747  -1.132
  361    H    GLY  45           HN       GLY  45   2.157   9.837  -5.127
  362    HA2  GLY  45           HA2      GLY  45   3.362   9.891  -7.701
  363    HA3  GLY  45           HA1      GLY  45   3.407  11.192  -6.512
  364    H    VAL  46           HN       VAL  46   4.757   7.989  -6.977
  365    HA   VAL  46           HA       VAL  46   7.447   8.843  -6.097
  366    HB   VAL  46           HB       VAL  46   7.691   6.691  -4.948
  367   HG11  VAL  46          HG11      VAL  46   6.112   6.990  -3.075
  368   HG12  VAL  46          HG12      VAL  46   5.296   8.242  -4.029
  369   HG13  VAL  46          HG13      VAL  46   6.972   8.451  -3.546
  370   HG21  VAL  46          HG21      VAL  46   6.235   5.277  -6.260
  371   HG22  VAL  46          HG22      VAL  46   4.822   6.177  -5.748
  372   HG23  VAL  46          HG23      VAL  46   5.712   5.201  -4.573
  373    H    LYS  47           HN       LYS  47   8.765   6.505  -6.582
  374    HA   LYS  47           HA       LYS  47   7.901   5.701  -9.264
  375    HB2  LYS  47           HB2      LYS  47  10.227   5.106  -9.775
  376    HB3  LYS  47           HB1      LYS  47  10.079   6.782  -9.317
  377    HG2  LYS  47           HG2      LYS  47  11.044   6.369  -7.167
  378    HG3  LYS  47           HG1      LYS  47  11.025   4.623  -7.448
  379    HD2  LYS  47           HD2      LYS  47  12.572   4.874  -9.295
  380    HD3  LYS  47           HD1      LYS  47  12.550   6.623  -9.108
  381    HE2  LYS  47           HE2      LYS  47  13.614   6.435  -6.947
  382    HE3  LYS  47           HE1      LYS  47  13.529   4.674  -7.019
  383    HZ1  LYS  47           HZ1      LYS  47  15.739   5.452  -7.665
  384    HZ2  LYS  47           HZ2      LYS  47  15.049   6.406  -8.888
  385    HZ3  LYS  47           HZ3      LYS  47  14.941   4.736  -8.978
  386    H    LYS  48           HN       LYS  48   8.420   3.396  -9.825
  387    HA   LYS  48           HA       LYS  48   7.123   1.670  -8.035
  388    HB2  LYS  48           HB2      LYS  48   7.098   1.347 -10.433
  389    HB3  LYS  48           HB1      LYS  48   8.828   1.100 -10.460
  390    HG2  LYS  48           HG2      LYS  48   7.967  -1.057 -10.680
  391    HG3  LYS  48           HG1      LYS  48   8.386  -0.878  -8.974
  392    HD2  LYS  48           HD2      LYS  48   6.127  -0.775  -8.290
  393    HD3  LYS  48           HD1      LYS  48   5.551  -0.400  -9.913
  394    HE2  LYS  48           HE2      LYS  48   6.009  -2.602 -10.686
  395    HE3  LYS  48           HE1      LYS  48   6.842  -3.047  -9.178
  396    HZ1  LYS  48           HZ1      LYS  48   4.711  -3.971  -9.340
  397    HZ2  LYS  48           HZ2      LYS  48   3.998  -2.490  -9.698
  398    HZ3  LYS  48           HZ3      LYS  48   4.627  -2.796  -8.121
  399    H    GLU  49           HN       GLU  49  10.557   2.173  -8.692
  400    HA   GLU  49           HA       GLU  49  11.715  -0.021  -7.469
  401    HB2  GLU  49           HB2      GLU  49  12.717   2.798  -7.586
  402    HB3  GLU  49           HB1      GLU  49  13.685   1.469  -6.980
  403    HG2  GLU  49           HG2      GLU  49  13.499   0.380  -9.173
  404    HG3  GLU  49           HG1      GLU  49  12.579   1.766  -9.758
  405    H    GLU  50           HN       GLU  50  11.019   3.063  -5.885
  406    HA   GLU  50           HA       GLU  50  12.027   2.278  -3.350
  407    HB2  GLU  50           HB2      GLU  50  10.974   4.335  -2.531
  408    HB3  GLU  50           HB1      GLU  50  11.877   4.624  -4.012
  409    HG2  GLU  50           HG2      GLU  50   9.720   4.459  -5.262
  410    HG3  GLU  50           HG1      GLU  50   8.909   4.349  -3.716
  411    H    LEU  51           HN       LEU  51   8.886   2.179  -4.860
  412    HA   LEU  51           HA       LEU  51   7.530   1.381  -2.503
  413    HB2  LEU  51           HB2      LEU  51   6.363   2.443  -4.429
  414    HB3  LEU  51           HB1      LEU  51   6.699   1.009  -5.379
  415    HG   LEU  51           HG       LEU  51   5.359  -0.316  -3.739
  416   HD11  LEU  51          HD11      LEU  51   3.800   0.873  -2.282
  417   HD12  LEU  51          HD12      LEU  51   4.591   2.396  -2.690
  418   HD13  LEU  51          HD13      LEU  51   5.480   1.144  -1.826
  419   HD21  LEU  51          HD21      LEU  51   3.190   0.426  -4.592
  420   HD22  LEU  51          HD22      LEU  51   4.417   0.372  -5.856
  421   HD23  LEU  51          HD23      LEU  51   3.935   1.921  -5.161
  422    H    GLY  52           HN       GLY  52   9.508  -0.139  -4.845
  423    HA2  GLY  52           HA2      GLY  52   8.633  -2.812  -4.572
  424    HA3  GLY  52           HA1      GLY  52  10.211  -2.293  -5.165
  425    H    ASP  53           HN       ASP  53  11.083  -0.920  -2.983
  426    HA   ASP  53           HA       ASP  53  12.064  -2.867  -1.186
  427    HB2  ASP  53           HB2      ASP  53  11.603   0.080  -0.608
  428    HB3  ASP  53           HB1      ASP  53  12.653  -0.989   0.305
  429    H    ARG  54           HN       ARG  54   9.421  -0.616  -1.050
  430    HA   ARG  54           HA       ARG  54   8.489  -1.561   1.432
  431    HB2  ARG  54           HB2      ARG  54   8.094   0.777   0.437
  432    HB3  ARG  54           HB1      ARG  54   6.779   0.025  -0.460
  433    HG2  ARG  54           HG2      ARG  54   5.722  -0.678   1.606
  434    HG3  ARG  54           HG1      ARG  54   7.056  -0.006   2.537
  435    HD2  ARG  54           HD2      ARG  54   6.490   2.224   1.594
  436    HD3  ARG  54           HD1      ARG  54   5.066   1.495   0.849
  437    HE   ARG  54           HE       ARG  54   5.351   1.057   3.692
  438   HH11  ARG  54          HH11      ARG  54   3.915   3.136   1.243
  439   HH12  ARG  54          HH12      ARG  54   2.755   3.814   2.306
  440   HH21  ARG  54          HH21      ARG  54   3.727   1.934   5.126
  441   HH22  ARG  54          HH22      ARG  54   2.627   3.085   4.529
  442    H    ILE  55           HN       ILE  55   8.167  -2.844  -1.704
  443    HA   ILE  55           HA       ILE  55   5.681  -4.205  -1.389
  444    HB   ILE  55           HB       ILE  55   8.033  -4.761  -3.236
  445   HG12  ILE  55          HG12      ILE  55   5.262  -3.707  -3.811
  446   HG13  ILE  55          HG11      ILE  55   6.715  -2.729  -3.707
  447   HG21  ILE  55          HG21      ILE  55   6.950  -6.900  -2.823
  448   HG22  ILE  55          HG22      ILE  55   6.620  -6.357  -4.469
  449   HG23  ILE  55          HG23      ILE  55   5.381  -6.204  -3.227
  450   HD11  ILE  55          HD11      ILE  55   6.164  -4.878  -5.739
  451   HD12  ILE  55          HD12      ILE  55   7.624  -3.927  -5.685
  452   HD13  ILE  55          HD13      ILE  55   6.076  -3.147  -6.026
  453    H    ALA  56           HN       ALA  56   9.037  -5.040  -0.791
  454    HA   ALA  56           HA       ALA  56   8.529  -7.675   0.161
  455    HB1  ALA  56           HB1      ALA  56  10.802  -6.902  -0.374
  456    HB2  ALA  56           HB2      ALA  56  10.722  -7.481   1.290
  457    HB3  ALA  56           HB3      ALA  56  10.728  -5.751   0.958
  458    H    GLN  57           HN       GLN  57   8.727  -4.542   1.692
  459    HA   GLN  57           HA       GLN  57   8.138  -5.275   4.338
  460    HB2  GLN  57           HB2      GLN  57   8.948  -3.014   3.343
  461    HB3  GLN  57           HB1      GLN  57   7.262  -2.703   3.008
  462    HG2  GLN  57           HG2      GLN  57   8.419  -3.138   5.767
  463    HG3  GLN  57           HG1      GLN  57   8.125  -1.570   5.037
  464   HE21  GLN  57          HE21      GLN  57   6.782  -4.250   6.665
  465   HE22  GLN  57          HE22      GLN  57   5.178  -3.634   6.819
  466    H    PHE  58           HN       PHE  58   6.127  -4.583   1.561
  467    HA   PHE  58           HA       PHE  58   3.634  -4.638   2.819
  468    HB2  PHE  58           HB2      PHE  58   4.048  -3.605   0.622
  469    HB3  PHE  58           HB1      PHE  58   4.292  -5.200  -0.064
  470    HD1  PHE  58           HD1      PHE  58   1.671  -3.768   2.186
  471    HD2  PHE  58           HD2      PHE  58   2.574  -5.719  -1.471
  472    HE1  PHE  58           HE1      PHE  58  -0.714  -3.864   1.661
  473    HE2  PHE  58           HE2      PHE  58   0.183  -5.825  -2.007
  474    HZ   PHE  58           HZ       PHE  58  -1.471  -4.892  -0.445
  475    H    TYR  59           HN       TYR  59   5.662  -7.180   1.490
  476    HA   TYR  59           HA       TYR  59   3.685  -9.165   1.624
  477    HB2  TYR  59           HB2      TYR  59   6.618  -9.217   1.432
  478    HB3  TYR  59           HB1      TYR  59   5.941 -10.595   2.298
  479    HD1  TYR  59           HD2      TYR  59   3.982 -11.810   1.167
  480    HD2  TYR  59           HD1      TYR  59   6.665  -9.257  -0.923
  481    HE1  TYR  59           HE2      TYR  59   3.326 -12.876  -0.935
  482    HE2  TYR  59           HE1      TYR  59   6.008 -10.321  -3.049
  483    HH   TYR  59           HH       TYR  59   5.022 -12.398  -3.841
  484    H    THR  60           HN       THR  60   5.891  -7.932   4.048
  485    HA   THR  60           HA       THR  60   4.932  -9.575   6.139
  486    HB   THR  60           HB       THR  60   5.993  -6.757   6.371
  487    HG1  THR  60           HG1      THR  60   7.882  -7.452   5.849
  488   HG21  THR  60          HG21      THR  60   5.144  -7.777   8.440
  489   HG22  THR  60          HG22      THR  60   6.895  -7.571   8.493
  490   HG23  THR  60          HG23      THR  60   6.205  -9.165   8.189
  491    H    ASP  61           HN       ASP  61   4.178  -6.238   5.243
  492    HA   ASP  61           HA       ASP  61   2.329  -5.449   7.167
  493    HB2  ASP  61           HB2      ASP  61   3.597  -4.091   5.392
  494    HB3  ASP  61           HB1      ASP  61   2.344  -4.597   4.278
  495    H    LEU  62           HN       LEU  62   1.737  -6.890   4.020
  496    HA   LEU  62           HA       LEU  62  -1.105  -6.802   4.156
  497    HB2  LEU  62           HB2      LEU  62   0.120  -6.664   2.078
  498    HB3  LEU  62           HB1      LEU  62   0.757  -8.269   2.327
  499    HG   LEU  62           HG       LEU  62  -1.526  -9.181   2.091
  500   HD11  LEU  62          HD11      LEU  62  -2.218  -6.328   1.420
  501   HD12  LEU  62          HD12      LEU  62  -2.793  -7.246   2.817
  502   HD13  LEU  62          HD13      LEU  62  -3.271  -7.720   1.188
  503   HD21  LEU  62          HD21      LEU  62  -0.562  -7.442  -0.168
  504   HD22  LEU  62          HD22      LEU  62  -1.676  -8.802  -0.310
  505   HD23  LEU  62          HD23      LEU  62  -0.011  -9.077   0.199
  506    H    ASN  63           HN       ASN  63   1.287  -9.425   4.663
  507    HA   ASN  63           HA       ASN  63  -0.830 -11.371   4.693
  508    HB2  ASN  63           HB2      ASN  63   2.124 -11.705   5.122
  509    HB3  ASN  63           HB1      ASN  63   0.994 -13.028   5.387
  510   HD21  ASN  63          HD21      ASN  63   2.605 -11.104   3.085
  511   HD22  ASN  63          HD22      ASN  63   2.075 -11.934   1.658
  512    H    ILE  64           HN       ILE  64   0.029  -9.298   6.982
  513    HA   ILE  64           HA       ILE  64  -0.717 -11.149   9.127
  514    HB   ILE  64           HB       ILE  64  -0.013  -9.341  10.698
  515   HG12  ILE  64          HG12      ILE  64   0.928  -7.964   8.161
  516   HG13  ILE  64          HG11      ILE  64  -0.333  -7.398   9.244
  517   HG21  ILE  64          HG21      ILE  64   2.096 -10.250   8.746
  518   HG22  ILE  64          HG22      ILE  64   1.520 -11.137  10.156
  519   HG23  ILE  64          HG23      ILE  64   2.404  -9.626  10.366
  520   HD11  ILE  64          HD11      ILE  64   1.744  -6.159   9.523
  521   HD12  ILE  64          HD12      ILE  64   2.592  -7.650   9.928
  522   HD13  ILE  64          HD13      ILE  64   1.328  -7.035  10.994
  523    H    ASP  65           HN       ASP  65  -2.287  -9.394   6.986
  524    HA   ASP  65           HA       ASP  65  -4.086  -8.003   8.819
  525    HB2  ASP  65           HB2      ASP  65  -3.276  -6.878   6.717
  526    HB3  ASP  65           HB1      ASP  65  -4.168  -8.124   5.824
  527    H    GLY  66           HN       GLY  66  -6.377  -8.368   8.794
  528    HA2  GLY  66           HA2      GLY  66  -7.113 -11.067   7.874
  529    HA3  GLY  66           HA1      GLY  66  -7.697 -10.336   9.387
  530    H    ARG  67           HN       ARG  67  -7.567  -7.992   6.962
  531    HA   ARG  67           HA       ARG  67 -10.448  -8.250   6.474
  532    HB2  ARG  67           HB2      ARG  67  -8.481  -6.000   5.993
  533    HB3  ARG  67           HB1      ARG  67 -10.194  -5.930   5.613
  534    HG2  ARG  67           HG2      ARG  67 -10.804  -5.926   7.876
  535    HG3  ARG  67           HG1      ARG  67  -9.198  -6.458   8.384
  536    HD2  ARG  67           HD2      ARG  67  -9.815  -3.816   7.075
  537    HD3  ARG  67           HD1      ARG  67  -9.584  -4.056   8.811
  538    HE   ARG  67           HE       ARG  67  -7.346  -5.120   7.581
  539   HH11  ARG  67          HH11      ARG  67  -8.793  -1.881   7.720
  540   HH12  ARG  67          HH12      ARG  67  -7.261  -1.114   7.632
  541   HH21  ARG  67          HH21      ARG  67  -5.406  -4.089   7.523
  542   HH22  ARG  67          HH22      ARG  67  -5.275  -2.359   7.561
  543    H    PHE  68           HN       PHE  68  -7.295  -8.146   5.130
  544    HA   PHE  68           HA       PHE  68  -8.116  -8.372   2.440
  545    HB2  PHE  68           HB2      PHE  68  -5.620  -8.095   3.862
  546    HB3  PHE  68           HB1      PHE  68  -5.506  -9.231   2.514
  547    HD1  PHE  68           HD2      PHE  68  -6.351  -5.778   3.458
  548    HD2  PHE  68           HD1      PHE  68  -5.653  -8.532   0.305
  549    HE1  PHE  68           HE2      PHE  68  -6.282  -3.926   1.844
  550    HE2  PHE  68           HE1      PHE  68  -5.584  -6.697  -1.303
  551    HZ   PHE  68           HZ       PHE  68  -5.899  -4.407  -0.549
  552    H    LEU  69           HN       LEU  69  -7.605 -10.025   1.084
  553    HA   LEU  69           HA       LEU  69  -7.636 -12.718   2.182
  554    HB2  LEU  69           HB2      LEU  69  -9.864 -12.430   1.998
  555    HB3  LEU  69           HB1      LEU  69  -9.766 -11.262   0.717
  556    HG   LEU  69           HG       LEU  69  -9.209 -13.197  -0.832
  557   HD11  LEU  69          HD11      LEU  69  -9.856 -15.442  -0.116
  558   HD12  LEU  69          HD12      LEU  69 -10.061 -14.853   1.536
  559   HD13  LEU  69          HD13      LEU  69  -8.467 -14.828   0.778
  560   HD21  LEU  69          HD21      LEU  69 -11.570 -13.925  -0.958
  561   HD22  LEU  69          HD22      LEU  69 -11.381 -12.175  -0.784
  562   HD23  LEU  69          HD23      LEU  69 -11.833 -13.152   0.610
  563    H    ALA  70           HN       ALA  70  -6.262 -13.942   0.931
  564    HA   ALA  70           HA       ALA  70  -5.624 -12.959  -1.735
  565    HB1  ALA  70           HB1      ALA  70  -4.053 -14.859  -1.865
  566    HB2  ALA  70           HB2      ALA  70  -4.488 -15.327  -0.226
  567    HB3  ALA  70           HB3      ALA  70  -3.662 -13.785  -0.517
  568    H    LEU  71           HN       LEU  71  -6.884 -13.548  -3.220
  569    HA   LEU  71           HA       LEU  71  -8.689 -15.699  -2.985
  570    HB2  LEU  71           HB2      LEU  71  -7.798 -14.049  -5.362
  571    HB3  LEU  71           HB1      LEU  71  -9.211 -15.108  -5.319
  572    HG   LEU  71           HG       LEU  71  -8.867 -12.786  -3.449
  573   HD11  LEU  71          HD11      LEU  71 -10.131 -12.862  -6.150
  574   HD12  LEU  71          HD12      LEU  71  -8.673 -11.960  -5.713
  575   HD13  LEU  71          HD13      LEU  71 -10.236 -11.524  -5.009
  576   HD21  LEU  71          HD21      LEU  71 -11.262 -14.220  -4.523
  577   HD22  LEU  71          HD22      LEU  71 -11.230 -12.879  -3.375
  578   HD23  LEU  71          HD23      LEU  71 -10.562 -14.453  -2.909
  579    H    SER  72           HN       SER  72  -8.621 -17.386  -4.752
  580    HA   SER  72           HA       SER  72  -6.626 -19.155  -4.092
  581    HB2  SER  72           HB2      SER  72  -8.324 -19.272  -6.562
  582    HB3  SER  72           HB1      SER  72  -7.551 -20.628  -5.744
  583    HG   SER  72           HG       SER  72  -9.512 -18.909  -4.567
  584    H    ASP  73           HN       ASP  73  -6.158 -16.655  -6.385
  585    HA   ASP  73           HA       ASP  73  -3.888 -18.160  -7.438
  586    HB2  ASP  73           HB2      ASP  73  -5.674 -17.974  -9.154
  587    HB3  ASP  73           HB1      ASP  73  -5.608 -16.227  -9.024
  588    H    GLN  74           HN       GLN  74  -4.055 -16.339  -5.221
  589    HA   GLN  74           HA       GLN  74  -2.741 -14.838  -4.164
  590    HB2  GLN  74           HB2      GLN  74  -0.964 -15.107  -6.611
  591    HB3  GLN  74           HB1      GLN  74  -0.552 -14.073  -5.260
  592    HG2  GLN  74           HG2      GLN  74   0.644 -16.201  -5.148
  593    HG3  GLN  74           HG1      GLN  74  -0.453 -16.027  -3.782
  594   HE21  GLN  74          HE21      GLN  74  -2.169 -17.420  -3.575
  595   HE22  GLN  74          HE22      GLN  74  -2.414 -18.770  -4.615
  596    H    THR  75           HN       THR  75  -4.740 -14.264  -6.184
  597    HA   THR  75           HA       THR  75  -4.281 -11.507  -6.805
  598    HB   THR  75           HB       THR  75  -6.871 -11.818  -7.274
  599    HG1  THR  75           HG1      THR  75  -7.535 -13.871  -7.414
  600   HG21  THR  75          HG21      THR  75  -6.362 -12.736  -9.498
  601   HG22  THR  75          HG22      THR  75  -4.764 -13.224  -8.930
  602   HG23  THR  75          HG23      THR  75  -5.185 -11.513  -9.030
  603    H    TRP  76           HN       TRP  76  -4.797  -9.909  -5.334
  604    HA   TRP  76           HA       TRP  76  -5.832 -10.990  -2.866
  605    HB2  TRP  76           HB2      TRP  76  -4.253  -8.474  -3.389
  606    HB3  TRP  76           HB1      TRP  76  -4.975  -8.859  -1.828
  607    HD1  TRP  76           HD1      TRP  76  -2.178 -10.035  -4.192
  608    HE1  TRP  76           HE1      TRP  76  -0.532 -11.517  -2.861
  609    HE3  TRP  76           HE3      TRP  76  -4.751 -10.357   0.217
  610    HZ2  TRP  76           HZ2      TRP  76  -0.353 -12.655  -0.294
  611    HZ3  TRP  76           HZ3      TRP  76  -3.772 -11.654   2.059
  612    HH2  TRP  76           HH2      TRP  76  -1.620 -12.780   1.809
  613    H    GLY  77           HN       GLY  77  -7.312  -9.818  -1.646
  614    HA2  GLY  77           HA2      GLY  77  -8.897  -7.839  -2.962
  615    HA3  GLY  77           HA1      GLY  77  -9.612  -9.437  -2.884
  616    H    LEU  78           HN       LEU  78 -11.237  -8.528  -1.586
  617    HA   LEU  78           HA       LEU  78 -10.407  -8.033   1.181
  618    HB2  LEU  78           HB2      LEU  78 -12.812  -6.926  -0.255
  619    HB3  LEU  78           HB1      LEU  78 -12.458  -6.697   1.443
  620    HG   LEU  78           HG       LEU  78 -10.855  -5.638  -0.877
  621   HD11  LEU  78          HD11      LEU  78 -11.591  -3.451  -0.074
  622   HD12  LEU  78          HD12      LEU  78 -12.572  -4.234   1.165
  623   HD13  LEU  78          HD13      LEU  78 -12.955  -4.466  -0.542
  624   HD21  LEU  78          HD21      LEU  78  -9.377  -6.191   0.976
  625   HD22  LEU  78          HD22      LEU  78 -10.422  -5.316   2.093
  626   HD23  LEU  78          HD23      LEU  78  -9.550  -4.442   0.833
  627    H    ARG  79           HN       ARG  79 -11.410  -9.032   2.738
  628    HA   ARG  79           HA       ARG  79 -12.785 -11.459   2.201
  629    HB2  ARG  79           HB2      ARG  79 -11.152 -11.248   3.963
  630    HB3  ARG  79           HB1      ARG  79 -12.038  -9.935   4.691
  631    HG2  ARG  79           HG2      ARG  79 -13.735 -11.458   5.465
  632    HG3  ARG  79           HG1      ARG  79 -12.974 -12.797   4.586
  633    HD2  ARG  79           HD2      ARG  79 -11.031 -12.682   5.871
  634    HD3  ARG  79           HD1      ARG  79 -11.482 -11.154   6.593
  635    HE   ARG  79           HE       ARG  79 -13.106 -13.565   7.118
  636   HH11  ARG  79          HH11      ARG  79 -10.759 -11.241   8.421
  637   HH12  ARG  79          HH12      ARG  79 -10.959 -11.746  10.035
  638   HH21  ARG  79          HH21      ARG  79 -13.346 -14.258   9.329
  639   HH22  ARG  79          HH22      ARG  79 -12.486 -13.491  10.566
  640    H    SER  80           HN       SER  80 -13.766  -8.269   2.567
  641    HA   SER  80           HA       SER  80 -16.227  -8.476   3.877
  642    HB2  SER  80           HB2      SER  80 -15.423  -6.477   1.793
  643    HB3  SER  80           HB1      SER  80 -16.471  -6.233   3.195
  644    HG   SER  80           HG       SER  80 -14.577  -6.781   4.477
  645    H    TRP  81           HN       TRP  81 -15.268  -9.192   0.579
  646    HA   TRP  81           HA       TRP  81 -17.837  -8.721  -0.618
  647    HB2  TRP  81           HB2      TRP  81 -15.562 -10.384  -1.644
  648    HB3  TRP  81           HB1      TRP  81 -16.960  -9.859  -2.560
  649    HD1  TRP  81           HD1      TRP  81 -16.935  -6.767  -1.829
  650    HE1  TRP  81           HE1      TRP  81 -15.063  -5.305  -2.803
  651    HE3  TRP  81           HE3      TRP  81 -13.471 -10.445  -2.714
  652    HZ2  TRP  81           HZ2      TRP  81 -12.461  -5.682  -3.871
  653    HZ3  TRP  81           HZ3      TRP  81 -11.355  -9.798  -3.785
  654    HH2  TRP  81           HH2      TRP  81 -10.861  -7.441  -4.321
  655    H    TYR  82           HN       TYR  82 -16.049 -11.567   0.394
  656    HA   TYR  82           HA       TYR  82 -18.255 -13.257  -0.498
  657    HB2  TYR  82           HB2      TYR  82 -15.450 -14.038   0.282
  658    HB3  TYR  82           HB1      TYR  82 -16.653 -15.080  -0.468
  659    HD1  TYR  82           HD2      TYR  82 -17.283 -14.530  -2.825
  660    HD2  TYR  82           HD1      TYR  82 -13.956 -12.788  -0.934
  661    HE1  TYR  82           HE2      TYR  82 -16.346 -13.963  -5.039
  662    HE2  TYR  82           HE1      TYR  82 -12.992 -12.219  -3.098
  663    HH   TYR  82           HH       TYR  82 -13.186 -13.047  -5.534
  Start of MODEL   19
    1    H1   GLY   2           HT1      GLY   2 -11.816   4.598  -3.529
    2    H2   GLY   2           HT2      GLY   2 -10.415   3.673  -3.251
    3    H3   GLY   2           HT3      GLY   2 -10.517   4.692  -4.593
    4    HA2  GLY   2           HA1      GLY   2 -10.659   6.633  -3.160
    5    HA3  GLY   2           HA2      GLY   2 -10.505   5.585  -1.758
    6    H    ILE   3           HN       ILE   3  -8.709   6.897  -1.273
    7    HA   ILE   3           HA       ILE   3  -6.604   7.336  -0.929
    8    HB   ILE   3           HB       ILE   3  -6.432   4.713  -1.071
    9   HG12  ILE   3          HG12      ILE   3  -4.010   4.750  -0.685
   10   HG13  ILE   3          HG11      ILE   3  -3.923   6.394  -1.289
   11   HG21  ILE   3          HG21      ILE   3  -4.827   3.854  -2.718
   12   HG22  ILE   3          HG22      ILE   3  -4.792   5.434  -3.502
   13   HG23  ILE   3          HG23      ILE   3  -6.279   4.487  -3.495
   14   HD11  ILE   3          HD11      ILE   3  -3.878   6.281   1.141
   15   HD12  ILE   3          HD12      ILE   3  -5.447   5.474   1.150
   16   HD13  ILE   3          HD13      ILE   3  -5.308   7.141   0.590
   17    H    LYS   4           HN       LYS   4  -7.515   7.016  -4.134
   18    HA   LYS   4           HA       LYS   4  -5.342   8.119  -5.508
   19    HB2  LYS   4           HB2      LYS   4  -6.944   8.447  -7.349
   20    HB3  LYS   4           HB1      LYS   4  -7.019   6.840  -6.639
   21    HG2  LYS   4           HG2      LYS   4  -8.991   7.498  -5.348
   22    HG3  LYS   4           HG1      LYS   4  -8.928   9.104  -6.069
   23    HD2  LYS   4           HD2      LYS   4  -9.279   8.112  -8.283
   24    HD3  LYS   4           HD1      LYS   4  -9.323   6.508  -7.551
   25    HE2  LYS   4           HE2      LYS   4 -11.261   7.180  -6.205
   26    HE3  LYS   4           HE1      LYS   4 -11.249   8.761  -6.979
   27    HZ1  LYS   4           HZ1      LYS   4 -11.609   6.159  -8.328
   28    HZ2  LYS   4           HZ2      LYS   4 -11.710   7.692  -9.089
   29    HZ3  LYS   4           HZ3      LYS   4 -12.864   7.229  -7.955
   30    H    GLN   5           HN       GLN   5  -7.620   9.725  -3.527
   31    HA   GLN   5           HA       GLN   5  -7.146  12.197  -4.997
   32    HB2  GLN   5           HB2      GLN   5  -9.175  13.102  -3.841
   33    HB3  GLN   5           HB1      GLN   5  -9.444  11.798  -4.981
   34    HG2  GLN   5           HG2      GLN   5  -9.519  10.237  -3.032
   35    HG3  GLN   5           HG1      GLN   5  -9.497  11.659  -1.988
   36   HE21  GLN   5          HE21      GLN   5 -11.515   9.627  -2.403
   37   HE22  GLN   5          HE22      GLN   5 -12.971  10.455  -2.862
   38    H    TYR   6           HN       TYR   6  -5.590  10.873  -2.769
   39    HA   TYR   6           HA       TYR   6  -5.299  13.226  -1.019
   40    HB2  TYR   6           HB2      TYR   6  -3.879  10.549  -1.015
   41    HB3  TYR   6           HB1      TYR   6  -3.567  11.847   0.121
   42    HD1  TYR   6           HD1      TYR   6  -6.158   9.471  -1.024
   43    HD2  TYR   6           HD2      TYR   6  -4.842  12.034   2.085
   44    HE1  TYR   6           HE1      TYR   6  -7.853   8.520   0.468
   45    HE2  TYR   6           HE2      TYR   6  -6.544  11.089   3.588
   46    HH   TYR   6           HH       TYR   6  -8.193   8.251   2.862
   47    H    SER   7           HN       SER   7  -2.948  13.925  -0.713
   48    HA   SER   7           HA       SER   7  -1.648  13.917  -3.330
   49    HB2  SER   7           HB2      SER   7  -1.448  15.880  -1.029
   50    HB3  SER   7           HB1      SER   7  -0.538  16.003  -2.543
   51    HG   SER   7           HG       SER   7  -3.122  16.613  -1.936
   52    H    GLN   8           HN       GLN   8   0.822  14.383  -2.951
   53    HA   GLN   8           HA       GLN   8   1.759  11.813  -2.641
   54    HB2  GLN   8           HB2      GLN   8   2.777  13.477  -4.056
   55    HB3  GLN   8           HB1      GLN   8   3.303  14.387  -2.645
   56    HG2  GLN   8           HG2      GLN   8   4.730  12.550  -1.984
   57    HG3  GLN   8           HG1      GLN   8   4.102  11.626  -3.356
   58   HE21  GLN   8          HE21      GLN   8   4.138  13.843  -5.235
   59   HE22  GLN   8          HE22      GLN   8   5.791  14.142  -5.573
   60    H    GLU   9           HN       GLU   9   2.296  14.529  -0.400
   61    HA   GLU   9           HA       GLU   9   3.978  13.232   1.387
   62    HB2  GLU   9           HB2      GLU   9   2.044  15.523   1.820
   63    HB3  GLU   9           HB1      GLU   9   3.281  15.040   2.959
   64    HG2  GLU   9           HG2      GLU   9   4.049  16.974   1.721
   65    HG3  GLU   9           HG1      GLU   9   4.965  15.514   1.331
   66    H    GLU  10           HN       GLU  10   0.590  13.658   1.321
   67    HA   GLU  10           HA       GLU  10  -0.259  12.370   3.675
   68    HB2  GLU  10           HB2      GLU  10  -1.392  12.963   1.056
   69    HB3  GLU  10           HB1      GLU  10  -2.290  11.824   2.017
   70    HG2  GLU  10           HG2      GLU  10  -2.541  13.501   3.758
   71    HG3  GLU  10           HG1      GLU  10  -1.386  14.563   2.958
   72    H    LEU  11           HN       LEU  11   0.013  11.116   0.437
   73    HA   LEU  11           HA       LEU  11  -0.740   8.482   1.006
   74    HB2  LEU  11           HB2      LEU  11   0.899   9.643  -1.244
   75    HB3  LEU  11           HB1      LEU  11   0.254   8.006  -1.216
   76    HG   LEU  11           HG       LEU  11  -1.554  10.390  -0.951
   77   HD11  LEU  11          HD11      LEU  11  -0.870   8.947  -3.499
   78   HD12  LEU  11          HD12      LEU  11  -0.296  10.564  -3.070
   79   HD13  LEU  11          HD13      LEU  11  -2.016  10.267  -3.292
   80   HD21  LEU  11          HD21      LEU  11  -2.467   8.284  -0.237
   81   HD22  LEU  11          HD22      LEU  11  -1.939   7.521  -1.733
   82   HD23  LEU  11          HD23      LEU  11  -3.200   8.748  -1.776
   83    H    LYS  12           HN       LYS  12   2.375  10.064   0.907
   84    HA   LYS  12           HA       LYS  12   4.139   7.973   1.296
   85    HB2  LYS  12           HB2      LYS  12   4.067  10.830   2.154
   86    HB3  LYS  12           HB1      LYS  12   5.409   9.857   2.676
   87    HG2  LYS  12           HG2      LYS  12   4.644  10.148  -0.215
   88    HG3  LYS  12           HG1      LYS  12   5.715  11.284   0.606
   89    HD2  LYS  12           HD2      LYS  12   7.229   9.427   1.157
   90    HD3  LYS  12           HD1      LYS  12   6.168   8.310   0.296
   91    HE2  LYS  12           HE2      LYS  12   6.586   9.421  -1.782
   92    HE3  LYS  12           HE1      LYS  12   7.445  10.727  -0.973
   93    HZ1  LYS  12           HZ1      LYS  12   8.406   7.884  -1.113
   94    HZ2  LYS  12           HZ2      LYS  12   9.174   9.175  -0.355
   95    HZ3  LYS  12           HZ3      LYS  12   8.957   9.198  -2.008
   96    H    GLU  13           HN       GLU  13   1.968   9.481   3.602
   97    HA   GLU  13           HA       GLU  13   3.193   8.115   5.874
   98    HB2  GLU  13           HB2      GLU  13   0.929  10.090   5.739
   99    HB3  GLU  13           HB1      GLU  13   1.657   9.470   7.210
  100    HG2  GLU  13           HG2      GLU  13   3.024  11.119   5.113
  101    HG3  GLU  13           HG1      GLU  13   2.444  11.689   6.676
  102    H    MET  14           HN       MET  14   1.168   7.069   3.615
  103    HA   MET  14           HA       MET  14  -0.832   6.001   5.447
  104    HB2  MET  14           HB2      MET  14  -0.756   6.063   2.433
  105    HB3  MET  14           HB1      MET  14  -1.996   5.220   3.348
  106    HG2  MET  14           HG2      MET  14  -1.420   8.171   3.495
  107    HG3  MET  14           HG1      MET  14  -2.714   7.436   2.553
  108    HE1  MET  14           HE1      MET  14  -4.605   9.217   5.507
  109    HE2  MET  14           HE2      MET  14  -4.443   9.086   3.757
  110    HE3  MET  14           HE3      MET  14  -3.135   9.781   4.713
  111    H    ALA  15           HN       ALA  15  -1.215   3.859   5.707
  112    HA   ALA  15           HA       ALA  15   1.083   2.177   5.533
  113    HB1  ALA  15           HB1      ALA  15  -0.284   0.552   6.722
  114    HB2  ALA  15           HB2      ALA  15  -1.716   1.540   6.440
  115    HB3  ALA  15           HB3      ALA  15  -0.415   2.147   7.464
  116    H    LEU  16           HN       LEU  16   1.227   0.199   4.493
  117    HA   LEU  16           HA       LEU  16   0.557   0.307   1.784
  118    HB2  LEU  16           HB2      LEU  16   1.562  -2.023   3.421
  119    HB3  LEU  16           HB1      LEU  16   1.421  -2.031   1.680
  120    HG   LEU  16           HG       LEU  16   3.690  -1.733   2.169
  121   HD11  LEU  16          HD11      LEU  16   2.956  -0.386   0.354
  122   HD12  LEU  16          HD12      LEU  16   4.260   0.420   1.226
  123   HD13  LEU  16          HD13      LEU  16   2.595   0.957   1.443
  124   HD21  LEU  16          HD21      LEU  16   3.557  -1.053   4.510
  125   HD22  LEU  16          HD22      LEU  16   2.985   0.546   4.028
  126   HD23  LEU  16          HD23      LEU  16   4.613   0.028   3.604
  127    H    VAL  17           HN       VAL  17  -0.690  -1.822   4.330
  128    HA   VAL  17           HA       VAL  17  -2.458  -3.209   2.655
  129    HB   VAL  17           HB       VAL  17  -1.715  -4.064   4.866
  130   HG11  VAL  17          HG11      VAL  17  -3.645  -2.082   6.046
  131   HG12  VAL  17          HG12      VAL  17  -1.894  -2.054   6.214
  132   HG13  VAL  17          HG13      VAL  17  -2.826  -3.369   6.932
  133   HG21  VAL  17          HG21      VAL  17  -3.600  -5.127   3.810
  134   HG22  VAL  17          HG22      VAL  17  -4.697  -3.923   4.483
  135   HG23  VAL  17          HG23      VAL  17  -3.876  -5.058   5.554
  136    H    GLU  18           HN       GLU  18  -2.853  -0.207   4.390
  137    HA   GLU  18           HA       GLU  18  -5.681  -0.182   4.034
  138    HB2  GLU  18           HB2      GLU  18  -3.836   2.090   4.832
  139    HB3  GLU  18           HB1      GLU  18  -5.597   2.142   4.898
  140    HG2  GLU  18           HG2      GLU  18  -5.536   0.214   6.477
  141    HG3  GLU  18           HG1      GLU  18  -3.784   0.336   6.490
  142    H    ILE  19           HN       ILE  19  -2.953   1.348   2.394
  143    HA   ILE  19           HA       ILE  19  -4.345   2.796   0.433
  144    HB   ILE  19           HB       ILE  19  -1.684   1.347   0.230
  145   HG12  ILE  19          HG12      ILE  19  -2.262   4.275   0.724
  146   HG13  ILE  19          HG11      ILE  19  -1.804   3.112   1.962
  147   HG21  ILE  19          HG21      ILE  19  -1.163   2.811  -1.677
  148   HG22  ILE  19          HG22      ILE  19  -2.814   3.426  -1.653
  149   HG23  ILE  19          HG23      ILE  19  -2.512   1.726  -2.009
  150   HD11  ILE  19          HD11      ILE  19   0.343   2.782   0.854
  151   HD12  ILE  19          HD12      ILE  19   0.089   4.475   1.274
  152   HD13  ILE  19          HD13      ILE  19  -0.123   3.936  -0.393
  153    H    ALA  20           HN       ALA  20  -3.152  -0.509   0.425
  154    HA   ALA  20           HA       ALA  20  -4.063  -1.250  -2.111
  155    HB1  ALA  20           HB1      ALA  20  -3.723  -3.549  -1.391
  156    HB2  ALA  20           HB2      ALA  20  -3.647  -3.024   0.291
  157    HB3  ALA  20           HB3      ALA  20  -2.393  -2.527  -0.844
  158    H    HIS  21           HN       HIS  21  -5.651  -1.462   1.058
  159    HA   HIS  21           HA       HIS  21  -7.960  -2.805   0.244
  160    HB2  HIS  21           HB2      HIS  21  -7.628  -2.473   2.617
  161    HB3  HIS  21           HB1      HIS  21  -7.606  -0.717   2.370
  162    HD1  HIS  21           HD1      HIS  21  -9.870   0.511   2.503
  163    HD2  HIS  21           HD2      HIS  21 -10.329  -3.628   2.327
  164    HE1  HIS  21           HE1      HIS  21 -12.282   0.084   2.828
  165    HE2  HIS  21           HE2      HIS  21 -12.530  -2.261   2.141
  166    H    GLU  22           HN       GLU  22  -7.270   0.651   0.257
  167    HA   GLU  22           HA       GLU  22  -9.795   1.561  -0.566
  168    HB2  GLU  22           HB2      GLU  22  -7.103   2.762  -1.101
  169    HB3  GLU  22           HB1      GLU  22  -8.634   3.628  -1.155
  170    HG2  GLU  22           HG2      GLU  22  -7.302   2.433   1.273
  171    HG3  GLU  22           HG1      GLU  22  -7.528   4.143   0.926
  172    H    LEU  23           HN       LEU  23  -7.037   0.452  -2.309
  173    HA   LEU  23           HA       LEU  23  -7.705   1.211  -4.927
  174    HB2  LEU  23           HB2      LEU  23  -5.490   0.511  -4.129
  175    HB3  LEU  23           HB1      LEU  23  -6.095  -1.100  -3.858
  176    HG   LEU  23           HG       LEU  23  -6.249  -1.474  -6.301
  177   HD11  LEU  23          HD11      LEU  23  -5.178   1.347  -6.488
  178   HD12  LEU  23          HD12      LEU  23  -6.825   0.866  -6.908
  179   HD13  LEU  23          HD13      LEU  23  -5.459   0.233  -7.825
  180   HD21  LEU  23          HD21      LEU  23  -4.193  -1.888  -5.084
  181   HD22  LEU  23          HD22      LEU  23  -3.690  -0.231  -5.389
  182   HD23  LEU  23          HD23      LEU  23  -3.877  -1.361  -6.742
  183    H    PHE  24           HN       PHE  24  -8.141  -1.850  -3.183
  184    HA   PHE  24           HA       PHE  24  -9.593  -3.078  -5.307
  185    HB2  PHE  24           HB2      PHE  24  -9.128  -3.863  -2.462
  186    HB3  PHE  24           HB1      PHE  24 -10.143  -4.807  -3.545
  187    HD1  PHE  24           HD1      PHE  24  -6.752  -3.633  -2.874
  188    HD2  PHE  24           HD2      PHE  24  -9.228  -6.132  -5.223
  189    HE1  PHE  24           HE1      PHE  24  -4.764  -4.799  -3.732
  190    HE2  PHE  24           HE2      PHE  24  -7.263  -7.301  -6.072
  191    HZ   PHE  24           HZ       PHE  24  -5.043  -6.647  -5.345
  192    H    GLU  25           HN       GLU  25 -10.503  -1.364  -2.419
  193    HA   GLU  25           HA       GLU  25 -13.193  -2.161  -2.323
  194    HB2  GLU  25           HB2      GLU  25 -11.793  -0.996  -0.534
  195    HB3  GLU  25           HB1      GLU  25 -12.101   0.496  -1.403
  196    HG2  GLU  25           HG2      GLU  25 -13.619   0.281   0.451
  197    HG3  GLU  25           HG1      GLU  25 -14.513   0.168  -1.066
  198    H    GLU  26           HN       GLU  26 -11.492   0.328  -4.077
  199    HA   GLU  26           HA       GLU  26 -13.822   1.638  -5.062
  200    HB2  GLU  26           HB2      GLU  26 -11.627   2.741  -4.851
  201    HB3  GLU  26           HB1      GLU  26 -10.995   1.686  -6.107
  202    HG2  GLU  26           HG2      GLU  26 -12.579   2.622  -7.698
  203    HG3  GLU  26           HG1      GLU  26 -13.228   3.665  -6.437
  204    H    HIS  27           HN       HIS  27 -11.578  -0.752  -6.324
  205    HA   HIS  27           HA       HIS  27 -12.755  -0.825  -8.930
  206    HB2  HIS  27           HB2      HIS  27 -10.952  -2.878  -7.631
  207    HB3  HIS  27           HB1      HIS  27 -11.442  -2.903  -9.315
  208    HD1  HIS  27           HD1      HIS  27 -10.925   0.069 -10.037
  209    HD2  HIS  27           HD2      HIS  27  -8.322  -2.315  -7.863
  210    HE1  HIS  27           HE1      HIS  27  -8.688   1.171 -10.225
  211    HE2  HIS  27           HE2      HIS  27  -7.136  -0.585  -9.319
  212    H    LYS  28           HN       LYS  28 -13.151  -2.748  -6.022
  213    HA   LYS  28           HA       LYS  28 -14.604  -4.268  -5.331
  214    HB2  LYS  28           HB2      LYS  28 -16.432  -3.135  -7.472
  215    HB3  LYS  28           HB1      LYS  28 -16.944  -4.120  -6.107
  216    HG2  LYS  28           HG2      LYS  28 -16.047  -2.354  -4.588
  217    HG3  LYS  28           HG1      LYS  28 -15.746  -1.362  -6.008
  218    HD2  LYS  28           HD2      LYS  28 -18.167  -1.482  -6.537
  219    HD3  LYS  28           HD1      LYS  28 -18.416  -2.366  -5.030
  220    HE2  LYS  28           HE2      LYS  28 -17.364   0.451  -5.329
  221    HE3  LYS  28           HE1      LYS  28 -18.923  -0.035  -4.669
  222    HZ1  LYS  28           HZ1      LYS  28 -17.368   0.525  -2.927
  223    HZ2  LYS  28           HZ2      LYS  28 -16.248  -0.557  -3.495
  224    HZ3  LYS  28           HZ3      LYS  28 -17.701  -1.134  -2.824
  225    H    LYS  29           HN       LYS  29 -12.735  -4.889  -7.392
  226    HA   LYS  29           HA       LYS  29 -13.872  -7.324  -8.421
  227    HB2  LYS  29           HB2      LYS  29 -12.318  -5.284 -10.032
  228    HB3  LYS  29           HB1      LYS  29 -12.649  -6.917 -10.584
  229    HG2  LYS  29           HG2      LYS  29 -15.027  -6.468 -10.622
  230    HG3  LYS  29           HG1      LYS  29 -14.757  -4.863  -9.945
  231    HD2  LYS  29           HD2      LYS  29 -13.717  -5.828 -12.610
  232    HD3  LYS  29           HD1      LYS  29 -15.164  -4.846 -12.369
  233    HE2  LYS  29           HE2      LYS  29 -13.797  -3.069 -11.365
  234    HE3  LYS  29           HE1      LYS  29 -12.355  -4.050 -11.590
  235    HZ1  LYS  29           HZ1      LYS  29 -12.592  -2.373 -13.313
  236    HZ2  LYS  29           HZ2      LYS  29 -14.081  -3.009 -13.750
  237    HZ3  LYS  29           HZ3      LYS  29 -12.694  -3.921 -13.987
  238    HA   PRO  30           HA       PRO  30  -9.989  -8.559  -6.734
  239    HB2  PRO  30           HB2      PRO  30  -9.815 -10.987  -8.240
  240    HB3  PRO  30           HB1      PRO  30 -10.435 -10.727  -6.630
  241    HG2  PRO  30           HG2      PRO  30 -11.970 -11.446  -8.832
  242    HG3  PRO  30           HG1      PRO  30 -12.576 -10.817  -7.294
  243    HD2  PRO  30           HD2      PRO  30 -12.149  -9.421  -9.879
  244    HD3  PRO  30           HD1      PRO  30 -13.383  -9.166  -8.627
  245    H    VAL  31           HN       VAL  31  -7.806  -8.496  -7.112
  246    HA   VAL  31           HA       VAL  31  -6.909  -8.200  -9.886
  247    HB   VAL  31           HB       VAL  31  -6.164  -6.280  -7.642
  248   HG11  VAL  31          HG11      VAL  31  -4.342  -6.589  -9.187
  249   HG12  VAL  31          HG12      VAL  31  -5.029  -4.973  -9.358
  250   HG13  VAL  31          HG13      VAL  31  -5.401  -6.221 -10.548
  251   HG21  VAL  31          HG21      VAL  31  -7.363  -4.551  -8.890
  252   HG22  VAL  31          HG22      VAL  31  -8.448  -5.853  -8.398
  253   HG23  VAL  31          HG23      VAL  31  -7.886  -5.754 -10.070
  254    HA   PRO  32           HA       PRO  32  -3.618 -10.910  -8.282
  255    HB2  PRO  32           HB2      PRO  32  -2.253  -9.915 -10.722
  256    HB3  PRO  32           HB1      PRO  32  -2.522 -11.581 -10.190
  257    HG2  PRO  32           HG2      PRO  32  -3.954 -10.615 -12.180
  258    HG3  PRO  32           HG1      PRO  32  -4.741 -11.580 -10.915
  259    HD2  PRO  32           HD2      PRO  32  -4.682  -8.600 -11.248
  260    HD3  PRO  32           HD1      PRO  32  -6.053  -9.677 -10.883
  261    H    PHE  33           HN       PHE  33  -1.525 -10.744  -7.516
  262    HA   PHE  33           HA       PHE  33  -1.020  -8.557  -5.965
  263    HB2  PHE  33           HB2      PHE  33  -0.188 -10.808  -5.507
  264    HB3  PHE  33           HB1      PHE  33   0.956 -10.658  -6.845
  265    HD1  PHE  33           HD1      PHE  33   0.004  -9.151  -3.590
  266    HD2  PHE  33           HD2      PHE  33   3.080  -9.785  -6.456
  267    HE1  PHE  33           HE1      PHE  33   1.648  -8.197  -2.033
  268    HE2  PHE  33           HE2      PHE  33   4.724  -8.830  -4.902
  269    HZ   PHE  33           HZ       PHE  33   4.007  -8.035  -2.687
  270    H    GLN  34           HN       GLN  34   0.580  -9.277  -9.053
  271    HA   GLN  34           HA       GLN  34   2.328  -7.050  -8.737
  272    HB2  GLN  34           HB2      GLN  34   1.739  -8.679 -11.196
  273    HB3  GLN  34           HB1      GLN  34   2.976  -7.436 -11.110
  274    HG2  GLN  34           HG2      GLN  34   2.864  -9.935  -9.437
  275    HG3  GLN  34           HG1      GLN  34   3.914  -9.676 -10.827
  276   HE21  GLN  34          HE21      GLN  34   4.521  -6.892 -10.051
  277   HE22  GLN  34          HE22      GLN  34   5.583  -7.027  -8.704
  278    H    GLU  35           HN       GLU  35  -0.896  -7.308 -10.046
  279    HA   GLU  35           HA       GLU  35  -0.517  -4.962 -11.649
  280    HB2  GLU  35           HB2      GLU  35  -3.012  -6.565 -11.063
  281    HB3  GLU  35           HB1      GLU  35  -2.945  -5.198 -12.163
  282    HG2  GLU  35           HG2      GLU  35  -1.239  -6.463 -13.493
  283    HG3  GLU  35           HG1      GLU  35  -1.555  -7.850 -12.454
  284    H    LEU  36           HN       LEU  36  -1.758  -5.881  -8.558
  285    HA   LEU  36           HA       LEU  36  -2.949  -3.381  -8.032
  286    HB2  LEU  36           HB2      LEU  36  -3.171  -4.119  -5.711
  287    HB3  LEU  36           HB1      LEU  36  -3.623  -5.403  -6.791
  288    HG   LEU  36           HG       LEU  36  -1.203  -6.291  -6.357
  289   HD11  LEU  36          HD11      LEU  36  -1.571  -4.596  -3.909
  290   HD12  LEU  36          HD12      LEU  36  -0.345  -4.394  -5.163
  291   HD13  LEU  36          HD13      LEU  36  -0.338  -5.837  -4.149
  292   HD21  LEU  36          HD21      LEU  36  -3.177  -7.497  -5.676
  293   HD22  LEU  36          HD22      LEU  36  -3.340  -6.459  -4.251
  294   HD23  LEU  36          HD23      LEU  36  -1.968  -7.545  -4.391
  295    H    LEU  37           HN       LEU  37   0.342  -4.634  -7.618
  296    HA   LEU  37           HA       LEU  37   1.327  -2.554  -5.999
  297    HB2  LEU  37           HB2      LEU  37   2.677  -4.353  -7.981
  298    HB3  LEU  37           HB1      LEU  37   3.546  -3.264  -6.914
  299    HG   LEU  37           HG       LEU  37   1.824  -5.588  -6.051
  300   HD11  LEU  37          HD11      LEU  37   3.824  -6.321  -7.195
  301   HD12  LEU  37          HD12      LEU  37   3.979  -6.614  -5.460
  302   HD13  LEU  37          HD13      LEU  37   4.802  -5.241  -6.206
  303   HD21  LEU  37          HD21      LEU  37   2.855  -5.189  -3.849
  304   HD22  LEU  37          HD22      LEU  37   1.871  -3.828  -4.374
  305   HD23  LEU  37          HD23      LEU  37   3.629  -3.737  -4.486
  306    H    ASN  38           HN       ASN  38   1.002  -2.978  -9.424
  307    HA   ASN  38           HA       ASN  38   2.456  -0.687 -10.191
  308    HB2  ASN  38           HB2      ASN  38   0.451  -2.417 -11.595
  309    HB3  ASN  38           HB1      ASN  38   0.946  -0.901 -12.333
  310   HD21  ASN  38          HD21      ASN  38   2.100  -4.034 -11.217
  311   HD22  ASN  38          HD22      ASN  38   3.501  -4.061 -12.201
  312    H    GLU  39           HN       GLU  39  -1.004  -1.169  -9.548
  313    HA   GLU  39           HA       GLU  39  -1.599   1.550 -10.123
  314    HB2  GLU  39           HB2      GLU  39  -3.230  -0.357  -8.457
  315    HB3  GLU  39           HB1      GLU  39  -3.781   1.176  -9.117
  316    HG2  GLU  39           HG2      GLU  39  -3.157   0.123 -11.392
  317    HG3  GLU  39           HG1      GLU  39  -3.197  -1.385 -10.496
  318    H    ILE  40           HN       ILE  40  -0.841  -0.211  -7.166
  319    HA   ILE  40           HA       ILE  40  -1.332   1.825  -5.338
  320    HB   ILE  40           HB       ILE  40   0.820  -0.325  -5.237
  321   HG12  ILE  40          HG12      ILE  40  -1.810  -0.080  -3.753
  322   HG13  ILE  40          HG11      ILE  40  -1.509  -1.135  -5.129
  323   HG21  ILE  40          HG21      ILE  40  -0.002   1.559  -3.021
  324   HG22  ILE  40          HG22      ILE  40   1.551   1.547  -3.857
  325   HG23  ILE  40          HG23      ILE  40   1.086   0.181  -2.843
  326   HD11  ILE  40          HD11      ILE  40  -1.453  -2.362  -3.033
  327   HD12  ILE  40          HD12      ILE  40  -0.162  -1.316  -2.440
  328   HD13  ILE  40          HD13      ILE  40   0.124  -2.378  -3.819
  329    H    ALA  41           HN       ALA  41   1.675   1.092  -7.072
  330    HA   ALA  41           HA       ALA  41   3.135   3.223  -5.994
  331    HB1  ALA  41           HB1      ALA  41   4.131   1.306  -7.105
  332    HB2  ALA  41           HB2      ALA  41   4.741   2.840  -7.718
  333    HB3  ALA  41           HB3      ALA  41   3.567   1.914  -8.665
  334    H    SER  42           HN       SER  42   0.974   3.163  -8.747
  335    HA   SER  42           HA       SER  42   1.716   5.839  -9.450
  336    HB2  SER  42           HB2      SER  42   0.891   4.240 -11.192
  337    HB3  SER  42           HB1      SER  42  -0.681   4.234 -10.403
  338    HG   SER  42           HG       SER  42   0.285   6.732 -10.990
  339    H    LEU  43           HN       LEU  43  -1.103   4.534  -7.771
  340    HA   LEU  43           HA       LEU  43  -2.211   7.113  -7.405
  341    HB2  LEU  43           HB2      LEU  43  -2.744   4.458  -6.099
  342    HB3  LEU  43           HB1      LEU  43  -3.462   5.910  -5.439
  343    HG   LEU  43           HG       LEU  43  -4.648   6.301  -7.571
  344   HD11  LEU  43          HD11      LEU  43  -3.497   3.665  -8.457
  345   HD12  LEU  43          HD12      LEU  43  -3.117   5.250  -9.130
  346   HD13  LEU  43          HD13      LEU  43  -4.743   4.587  -9.299
  347   HD21  LEU  43          HD21      LEU  43  -6.234   4.445  -7.396
  348   HD22  LEU  43          HD22      LEU  43  -5.765   5.069  -5.815
  349   HD23  LEU  43          HD23      LEU  43  -5.076   3.558  -6.407
  350    H    LEU  44           HN       LEU  44  -0.224   5.081  -5.375
  351    HA   LEU  44           HA       LEU  44   0.097   6.996  -3.277
  352    HB2  LEU  44           HB2      LEU  44   0.255   4.706  -2.701
  353    HB3  LEU  44           HB1      LEU  44   1.294   4.352  -4.052
  354    HG   LEU  44           HG       LEU  44   3.122   5.564  -2.893
  355   HD11  LEU  44          HD11      LEU  44   2.893   5.948  -0.494
  356   HD12  LEU  44          HD12      LEU  44   1.148   5.705  -0.651
  357   HD13  LEU  44          HD13      LEU  44   1.951   7.029  -1.505
  358   HD21  LEU  44          HD21      LEU  44   3.549   3.797  -1.260
  359   HD22  LEU  44          HD22      LEU  44   2.985   3.177  -2.810
  360   HD23  LEU  44          HD23      LEU  44   1.879   3.245  -1.435
  361    H    GLY  45           HN       GLY  45   1.173   8.762  -3.697
  362    HA2  GLY  45           HA2      GLY  45   2.970   9.223  -5.811
  363    HA3  GLY  45           HA1      GLY  45   2.750  10.279  -4.432
  364    H    VAL  46           HN       VAL  46   4.380   7.357  -5.473
  365    HA   VAL  46           HA       VAL  46   6.823   8.112  -4.035
  366    HB   VAL  46           HB       VAL  46   7.170   5.784  -3.313
  367   HG11  VAL  46          HG11      VAL  46   4.616   6.944  -2.235
  368   HG12  VAL  46          HG12      VAL  46   6.256   7.224  -1.647
  369   HG13  VAL  46          HG13      VAL  46   5.524   5.629  -1.490
  370   HG21  VAL  46          HG21      VAL  46   5.907   4.558  -4.934
  371   HG22  VAL  46          HG22      VAL  46   4.411   5.301  -4.431
  372   HG23  VAL  46          HG23      VAL  46   5.230   4.166  -3.348
  373    H    LYS  47           HN       LYS  47   8.595   6.537  -4.841
  374    HA   LYS  47           HA       LYS  47   8.058   5.913  -7.636
  375    HB2  LYS  47           HB2      LYS  47  10.503   5.326  -7.778
  376    HB3  LYS  47           HB1      LYS  47  10.182   7.003  -7.389
  377    HG2  LYS  47           HG2      LYS  47  10.922   6.749  -5.194
  378    HG3  LYS  47           HG1      LYS  47  10.774   5.000  -5.255
  379    HD2  LYS  47           HD2      LYS  47  13.143   5.783  -5.298
  380    HD3  LYS  47           HD1      LYS  47  12.698   4.813  -6.688
  381    HE2  LYS  47           HE2      LYS  47  12.726   7.837  -6.779
  382    HE3  LYS  47           HE1      LYS  47  14.159   6.873  -7.106
  383    HZ1  LYS  47           HZ1      LYS  47  13.074   7.421  -9.177
  384    HZ2  LYS  47           HZ2      LYS  47  11.609   6.849  -8.633
  385    HZ3  LYS  47           HZ3      LYS  47  12.850   5.763  -8.905
  386    H    LYS  48           HN       LYS  48   8.314   3.761  -8.432
  387    HA   LYS  48           HA       LYS  48   7.126   1.933  -6.645
  388    HB2  LYS  48           HB2      LYS  48   6.773   1.966  -9.123
  389    HB3  LYS  48           HB1      LYS  48   8.369   1.257  -9.312
  390    HG2  LYS  48           HG2      LYS  48   7.666  -0.702  -8.037
  391    HG3  LYS  48           HG1      LYS  48   6.042  -0.032  -7.867
  392    HD2  LYS  48           HD2      LYS  48   7.406  -0.865 -10.459
  393    HD3  LYS  48           HD1      LYS  48   6.079  -1.685  -9.631
  394    HE2  LYS  48           HE2      LYS  48   4.538  -0.048 -10.152
  395    HE3  LYS  48           HE1      LYS  48   5.764   1.156 -10.574
  396    HZ1  LYS  48           HZ1      LYS  48   5.023  -1.281 -12.122
  397    HZ2  LYS  48           HZ2      LYS  48   6.291  -0.260 -12.511
  398    HZ3  LYS  48           HZ3      LYS  48   4.707   0.328 -12.508
  399    H    GLU  49           HN       GLU  49  10.427   2.548  -7.447
  400    HA   GLU  49           HA       GLU  49  11.501   0.083  -6.590
  401    HB2  GLU  49           HB2      GLU  49  12.949   2.717  -6.448
  402    HB3  GLU  49           HB1      GLU  49  13.644   1.118  -6.641
  403    HG2  GLU  49           HG2      GLU  49  13.806   1.824  -8.797
  404    HG3  GLU  49           HG1      GLU  49  12.177   1.171  -8.851
  405    H    GLU  50           HN       GLU  50  10.901   3.130  -4.813
  406    HA   GLU  50           HA       GLU  50  12.104   2.207  -2.372
  407    HB2  GLU  50           HB2      GLU  50  11.117   4.147  -1.280
  408    HB3  GLU  50           HB1      GLU  50  11.648   4.671  -2.870
  409    HG2  GLU  50           HG2      GLU  50   9.346   4.495  -3.692
  410    HG3  GLU  50           HG1      GLU  50   8.829   3.957  -2.104
  411    H    LEU  51           HN       LEU  51   9.027   2.097  -3.864
  412    HA   LEU  51           HA       LEU  51   7.642   0.957  -1.701
  413    HB2  LEU  51           HB2      LEU  51   6.556   2.213  -3.529
  414    HB3  LEU  51           HB1      LEU  51   7.077   0.922  -4.602
  415    HG   LEU  51           HG       LEU  51   5.636  -0.667  -3.381
  416   HD11  LEU  51          HD11      LEU  51   3.929   0.168  -1.853
  417   HD12  LEU  51          HD12      LEU  51   4.676   1.765  -1.904
  418   HD13  LEU  51          HD13      LEU  51   5.562   0.396  -1.229
  419   HD21  LEU  51          HD21      LEU  51   3.495   0.157  -4.235
  420   HD22  LEU  51          HD22      LEU  51   4.807   0.361  -5.390
  421   HD23  LEU  51          HD23      LEU  51   4.215   1.751  -4.476
  422    H    GLY  52           HN       GLY  52   9.940  -0.185  -3.926
  423    HA2  GLY  52           HA2      GLY  52   9.065  -2.897  -4.210
  424    HA3  GLY  52           HA1      GLY  52  10.672  -2.266  -4.581
  425    H    ASP  53           HN       ASP  53  11.474  -1.230  -2.320
  426    HA   ASP  53           HA       ASP  53  12.258  -3.266  -0.561
  427    HB2  ASP  53           HB2      ASP  53  13.322  -1.073  -0.535
  428    HB3  ASP  53           HB1      ASP  53  11.811  -0.299  -0.087
  429    H    ARG  54           HN       ARG  54   9.638  -0.975  -0.406
  430    HA   ARG  54           HA       ARG  54   8.363  -2.069   1.841
  431    HB2  ARG  54           HB2      ARG  54   7.714  -0.001  -0.105
  432    HB3  ARG  54           HB1      ARG  54   6.305  -0.797   0.589
  433    HG2  ARG  54           HG2      ARG  54   6.858   1.191   1.832
  434    HG3  ARG  54           HG1      ARG  54   7.135  -0.235   2.823
  435    HD2  ARG  54           HD2      ARG  54   9.573  -0.044   2.055
  436    HD3  ARG  54           HD1      ARG  54   9.126   1.547   1.485
  437    HE   ARG  54           HE       ARG  54   8.345   2.109   3.721
  438   HH11  ARG  54          HH11      ARG  54  10.997  -0.282   3.468
  439   HH12  ARG  54          HH12      ARG  54  11.277  -0.312   5.128
  440   HH21  ARG  54          HH21      ARG  54   8.836   2.076   5.993
  441   HH22  ARG  54          HH22      ARG  54  10.051   1.029   6.611
  442    H    ILE  55           HN       ILE  55   8.396  -3.246  -1.384
  443    HA   ILE  55           HA       ILE  55   5.893  -4.607  -1.299
  444    HB   ILE  55           HB       ILE  55   8.357  -5.102  -3.021
  445   HG12  ILE  55          HG12      ILE  55   5.618  -4.070  -3.772
  446   HG13  ILE  55          HG11      ILE  55   7.041  -3.064  -3.530
  447   HG21  ILE  55          HG21      ILE  55   7.031  -6.661  -4.375
  448   HG22  ILE  55          HG22      ILE  55   5.705  -6.534  -3.222
  449   HG23  ILE  55          HG23      ILE  55   7.242  -7.244  -2.724
  450   HD11  ILE  55          HD11      ILE  55   8.132  -4.171  -5.425
  451   HD12  ILE  55          HD12      ILE  55   6.593  -3.452  -5.903
  452   HD13  ILE  55          HD13      ILE  55   6.721  -5.193  -5.634
  453    H    ALA  56           HN       ALA  56   9.188  -5.360  -0.470
  454    HA   ALA  56           HA       ALA  56   8.661  -8.061   0.234
  455    HB1  ALA  56           HB1      ALA  56  10.934  -7.162  -0.184
  456    HB2  ALA  56           HB2      ALA  56  10.807  -8.045   1.327
  457    HB3  ALA  56           HB3      ALA  56  10.836  -6.276   1.341
  458    H    GLN  57           HN       GLN  57   8.869  -5.115   2.192
  459    HA   GLN  57           HA       GLN  57   8.054  -6.136   4.657
  460    HB2  GLN  57           HB2      GLN  57   8.956  -3.791   3.936
  461    HB3  GLN  57           HB1      GLN  57   7.286  -3.403   3.606
  462    HG2  GLN  57           HG2      GLN  57   8.266  -4.275   6.319
  463    HG3  GLN  57           HG1      GLN  57   8.257  -2.599   5.811
  464   HE21  GLN  57          HE21      GLN  57   6.396  -5.250   6.960
  465   HE22  GLN  57          HE22      GLN  57   4.910  -4.387   7.136
  466    H    PHE  58           HN       PHE  58   6.186  -4.979   1.909
  467    HA   PHE  58           HA       PHE  58   3.615  -5.213   3.011
  468    HB2  PHE  58           HB2      PHE  58   4.078  -3.799   1.084
  469    HB3  PHE  58           HB1      PHE  58   4.524  -5.198   0.134
  470    HD1  PHE  58           HD2      PHE  58   1.568  -4.223   2.222
  471    HD2  PHE  58           HD1      PHE  58   3.027  -5.647  -1.508
  472    HE1  PHE  58           HE2      PHE  58  -0.735  -4.318   1.362
  473    HE2  PHE  58           HE1      PHE  58   0.744  -5.742  -2.380
  474    HZ   PHE  58           HZ       PHE  58  -1.152  -5.077  -0.945
  475    H    TYR  59           HN       TYR  59   5.671  -7.542   1.317
  476    HA   TYR  59           HA       TYR  59   3.744  -9.541   0.970
  477    HB2  TYR  59           HB2      TYR  59   6.702  -9.615   1.318
  478    HB3  TYR  59           HB1      TYR  59   5.827 -11.109   1.587
  479    HD1  TYR  59           HD1      TYR  59   4.278 -11.916  -0.338
  480    HD2  TYR  59           HD2      TYR  59   7.341  -9.003  -0.841
  481    HE1  TYR  59           HE1      TYR  59   4.373 -12.430  -2.731
  482    HE2  TYR  59           HE2      TYR  59   7.425  -9.508  -3.239
  483    HH   TYR  59           HH       TYR  59   5.073 -11.483  -4.790
  484    H    THR  60           HN       THR  60   5.850  -8.894   3.737
  485    HA   THR  60           HA       THR  60   4.835 -10.890   5.406
  486    HB   THR  60           HB       THR  60   5.880  -8.171   6.199
  487    HG1  THR  60           HG1      THR  60   7.766 -10.086   6.187
  488   HG21  THR  60          HG21      THR  60   6.019 -10.872   7.580
  489   HG22  THR  60          HG22      THR  60   4.957  -9.542   8.037
  490   HG23  THR  60          HG23      THR  60   6.707  -9.360   8.184
  491    H    ASP  61           HN       ASP  61   3.952  -7.464   5.135
  492    HA   ASP  61           HA       ASP  61   1.977  -7.357   7.125
  493    HB2  ASP  61           HB2      ASP  61   3.051  -5.366   6.265
  494    HB3  ASP  61           HB1      ASP  61   2.409  -5.670   4.660
  495    H    LEU  62           HN       LEU  62   1.688  -7.948   3.684
  496    HA   LEU  62           HA       LEU  62  -1.149  -8.020   3.642
  497    HB2  LEU  62           HB2      LEU  62   0.345  -7.415   1.749
  498    HB3  LEU  62           HB1      LEU  62   0.829  -9.091   1.649
  499    HG   LEU  62           HG       LEU  62  -1.518  -9.681   1.123
  500   HD11  LEU  62          HD11      LEU  62  -3.010  -7.863   0.433
  501   HD12  LEU  62          HD12      LEU  62  -1.825  -6.688   0.997
  502   HD13  LEU  62          HD13      LEU  62  -2.615  -7.769   2.145
  503   HD21  LEU  62          HD21      LEU  62  -0.208  -7.665  -0.688
  504   HD22  LEU  62          HD22      LEU  62  -1.445  -8.833  -1.157
  505   HD23  LEU  62          HD23      LEU  62   0.141  -9.394  -0.628
  506    H    ASN  63           HN       ASN  63   1.409 -10.484   3.792
  507    HA   ASN  63           HA       ASN  63  -0.267 -12.665   3.156
  508    HB2  ASN  63           HB2      ASN  63   2.206 -12.651   2.854
  509    HB3  ASN  63           HB1      ASN  63   2.385 -12.773   4.597
  510   HD21  ASN  63          HD21      ASN  63   0.019 -14.497   2.568
  511   HD22  ASN  63          HD22      ASN  63   0.628 -16.056   2.878
  512    H    ILE  64           HN       ILE  64   0.214 -11.033   6.158
  513    HA   ILE  64           HA       ILE  64  -0.655 -13.292   7.711
  514    HB   ILE  64           HB       ILE  64  -0.851 -11.719   9.643
  515   HG12  ILE  64          HG12      ILE  64   0.260  -9.653   7.733
  516   HG13  ILE  64          HG11      ILE  64  -1.412  -9.677   8.297
  517   HG21  ILE  64          HG21      ILE  64   1.560 -11.287   9.867
  518   HG22  ILE  64          HG22      ILE  64   1.767 -11.640   8.151
  519   HG23  ILE  64          HG23      ILE  64   1.220 -12.905   9.252
  520   HD11  ILE  64          HD11      ILE  64   1.053  -9.300   9.988
  521   HD12  ILE  64          HD12      ILE  64  -0.606  -9.323  10.586
  522   HD13  ILE  64          HD13      ILE  64  -0.078  -8.039   9.499
  523    H    ASP  65           HN       ASP  65  -2.144 -11.081   5.780
  524    HA   ASP  65           HA       ASP  65  -4.177 -10.185   5.577
  525    HB2  ASP  65           HB2      ASP  65  -5.811 -11.812   4.733
  526    HB3  ASP  65           HB1      ASP  65  -4.201 -12.056   4.092
  527    H    GLY  66           HN       GLY  66  -4.455  -9.110   7.389
  528    HA2  GLY  66           HA2      GLY  66  -6.455 -10.202   9.221
  529    HA3  GLY  66           HA1      GLY  66  -5.545  -8.679   9.440
  530    H    ARG  67           HN       ARG  67  -5.879  -7.263   7.411
  531    HA   ARG  67           HA       ARG  67  -8.754  -6.709   7.266
  532    HB2  ARG  67           HB2      ARG  67  -6.437  -5.111   6.162
  533    HB3  ARG  67           HB1      ARG  67  -8.088  -4.559   6.378
  534    HG2  ARG  67           HG2      ARG  67  -7.866  -4.623   8.757
  535    HG3  ARG  67           HG1      ARG  67  -6.264  -5.349   8.642
  536    HD2  ARG  67           HD2      ARG  67  -5.552  -3.312   7.366
  537    HD3  ARG  67           HD1      ARG  67  -7.113  -2.598   7.762
  538    HE   ARG  67           HE       ARG  67  -5.484  -3.560   9.958
  539   HH11  ARG  67          HH11      ARG  67  -6.847  -0.804   8.221
  540   HH12  ARG  67          HH12      ARG  67  -6.148   0.393   9.186
  541   HH21  ARG  67          HH21      ARG  67  -4.543  -1.898  11.414
  542   HH22  ARG  67          HH22      ARG  67  -4.853  -0.261  11.085
  543    H    PHE  68           HN       PHE  68  -6.182  -8.029   5.454
  544    HA   PHE  68           HA       PHE  68  -7.602  -7.667   2.942
  545    HB2  PHE  68           HB2      PHE  68  -4.876  -7.551   3.621
  546    HB3  PHE  68           HB1      PHE  68  -5.092  -8.965   2.585
  547    HD1  PHE  68           HD2      PHE  68  -5.729  -5.349   2.838
  548    HD2  PHE  68           HD1      PHE  68  -5.458  -8.737   0.295
  549    HE1  PHE  68           HE2      PHE  68  -5.861  -3.888   0.884
  550    HE2  PHE  68           HE1      PHE  68  -5.593  -7.274  -1.674
  551    HZ   PHE  68           HZ       PHE  68  -5.800  -4.846  -1.372
  552    H    LEU  69           HN       LEU  69  -6.932  -9.685   1.407
  553    HA   LEU  69           HA       LEU  69  -7.373 -12.218   2.690
  554    HB2  LEU  69           HB2      LEU  69  -9.589 -11.352   2.704
  555    HB3  LEU  69           HB1      LEU  69  -9.456 -10.785   1.061
  556    HG   LEU  69           HG       LEU  69  -9.299 -13.195   0.361
  557   HD11  LEU  69          HD11      LEU  69 -10.144 -14.875   1.907
  558   HD12  LEU  69          HD12      LEU  69 -10.183 -13.675   3.200
  559   HD13  LEU  69          HD13      LEU  69  -8.642 -14.161   2.492
  560   HD21  LEU  69          HD21      LEU  69 -11.812 -12.352   1.777
  561   HD22  LEU  69          HD22      LEU  69 -11.672 -13.499   0.436
  562   HD23  LEU  69          HD23      LEU  69 -11.305 -11.799   0.183
  563    H    ALA  70           HN       ALA  70  -6.537 -13.788   1.373
  564    HA   ALA  70           HA       ALA  70  -5.755 -13.062  -1.339
  565    HB1  ALA  70           HB1      ALA  70  -5.037 -15.470   0.354
  566    HB2  ALA  70           HB2      ALA  70  -3.999 -14.074   0.051
  567    HB3  ALA  70           HB3      ALA  70  -4.443 -15.154  -1.272
  568    H    LEU  71           HN       LEU  71  -6.810 -13.881  -3.022
  569    HA   LEU  71           HA       LEU  71  -9.019 -15.635  -2.499
  570    HB2  LEU  71           HB2      LEU  71  -8.078 -14.453  -5.128
  571    HB3  LEU  71           HB1      LEU  71  -9.622 -15.245  -4.838
  572    HG   LEU  71           HG       LEU  71  -8.647 -12.608  -3.776
  573   HD11  LEU  71          HD11      LEU  71  -9.289 -12.507  -6.043
  574   HD12  LEU  71          HD12      LEU  71 -10.547 -11.770  -5.026
  575   HD13  LEU  71          HD13      LEU  71 -10.785 -13.379  -5.702
  576   HD21  LEU  71          HD21      LEU  71 -11.257 -14.000  -3.257
  577   HD22  LEU  71          HD22      LEU  71 -10.877 -12.324  -2.893
  578   HD23  LEU  71          HD23      LEU  71 -10.010 -13.621  -2.048
  579    H    SER  72           HN       SER  72  -8.693 -16.914  -5.259
  580    HA   SER  72           HA       SER  72  -7.934 -19.327  -4.131
  581    HB2  SER  72           HB2      SER  72  -8.243 -18.717  -7.038
  582    HB3  SER  72           HB1      SER  72  -8.496 -20.261  -6.220
  583    HG   SER  72           HG       SER  72 -10.085 -19.060  -4.918
  584    H    ASP  73           HN       ASP  73  -6.059 -17.761  -6.893
  585    HA   ASP  73           HA       ASP  73  -3.846 -19.460  -5.880
  586    HB2  ASP  73           HB2      ASP  73  -4.698 -20.500  -7.872
  587    HB3  ASP  73           HB1      ASP  73  -4.568 -19.001  -8.775
  588    H    GLN  74           HN       GLN  74  -4.577 -16.292  -6.872
  589    HA   GLN  74           HA       GLN  74  -2.063 -15.314  -5.935
  590    HB2  GLN  74           HB2      GLN  74  -0.900 -14.547  -7.869
  591    HB3  GLN  74           HB1      GLN  74  -1.292 -16.224  -8.173
  592    HG2  GLN  74           HG2      GLN  74  -2.892 -13.921  -9.287
  593    HG3  GLN  74           HG1      GLN  74  -1.522 -14.632 -10.123
  594   HE21  GLN  74          HE21      GLN  74  -4.872 -14.972  -9.275
  595   HE22  GLN  74          HE22      GLN  74  -5.130 -16.394 -10.210
  596    H    THR  75           HN       THR  75  -5.169 -14.835  -6.890
  597    HA   THR  75           HA       THR  75  -4.913 -12.041  -7.420
  598    HB   THR  75           HB       THR  75  -7.449 -13.612  -7.030
  599    HG1  THR  75           HG1      THR  75  -6.665 -13.453  -9.601
  600   HG21  THR  75          HG21      THR  75  -6.614 -11.323  -8.807
  601   HG22  THR  75          HG22      THR  75  -7.630 -11.198  -7.366
  602   HG23  THR  75          HG23      THR  75  -8.204 -12.073  -8.794
  603    H    TRP  76           HN       TRP  76  -5.241 -10.519  -5.861
  604    HA   TRP  76           HA       TRP  76  -5.948 -11.559  -3.252
  605    HB2  TRP  76           HB2      TRP  76  -4.471  -9.052  -4.072
  606    HB3  TRP  76           HB1      TRP  76  -5.053  -9.323  -2.431
  607    HD1  TRP  76           HD1      TRP  76  -2.467 -10.693  -4.940
  608    HE1  TRP  76           HE1      TRP  76  -0.687 -12.033  -3.622
  609    HE3  TRP  76           HE3      TRP  76  -4.606 -10.583  -0.298
  610    HZ2  TRP  76           HZ2      TRP  76  -0.251 -12.911  -0.991
  611    HZ3  TRP  76           HZ3      TRP  76  -3.441 -11.693   1.566
  612    HH2  TRP  76           HH2      TRP  76  -1.310 -12.833   1.222
  613    H    GLY  77           HN       GLY  77  -7.343 -10.200  -1.930
  614    HA2  GLY  77           HA2      GLY  77  -9.066  -8.431  -3.375
  615    HA3  GLY  77           HA1      GLY  77  -9.797  -9.962  -2.893
  616    H    LEU  78           HN       LEU  78 -11.186  -8.773  -1.596
  617    HA   LEU  78           HA       LEU  78  -9.891  -7.711   0.810
  618    HB2  LEU  78           HB2      LEU  78 -12.428  -6.707  -0.435
  619    HB3  LEU  78           HB1      LEU  78 -11.767  -6.174   1.094
  620    HG   LEU  78           HG       LEU  78 -10.589  -5.750  -1.632
  621   HD11  LEU  78          HD11      LEU  78 -11.722  -3.857   0.409
  622   HD12  LEU  78          HD12      LEU  78 -12.483  -4.344  -1.106
  623   HD13  LEU  78          HD13      LEU  78 -10.992  -3.402  -1.129
  624   HD21  LEU  78          HD21      LEU  78  -8.793  -6.137  -0.051
  625   HD22  LEU  78          HD22      LEU  78  -9.494  -4.986   1.079
  626   HD23  LEU  78          HD23      LEU  78  -8.866  -4.433  -0.477
  627    H    ARG  79           HN       ARG  79 -10.576  -8.348   2.658
  628    HA   ARG  79           HA       ARG  79 -12.292 -10.617   2.814
  629    HB2  ARG  79           HB2      ARG  79 -10.188  -9.816   4.197
  630    HB3  ARG  79           HB1      ARG  79 -11.398  -8.975   5.142
  631    HG2  ARG  79           HG2      ARG  79 -12.450 -11.023   5.753
  632    HG3  ARG  79           HG1      ARG  79 -11.421 -11.939   4.642
  633    HD2  ARG  79           HD2      ARG  79  -9.445 -11.140   5.881
  634    HD3  ARG  79           HD1      ARG  79 -10.508 -10.375   7.045
  635    HE   ARG  79           HE       ARG  79 -11.140 -13.106   6.812
  636   HH11  ARG  79          HH11      ARG  79  -8.789 -10.884   8.260
  637   HH12  ARG  79          HH12      ARG  79  -8.100 -12.040   9.293
  638   HH21  ARG  79          HH21      ARG  79 -10.202 -14.710   8.248
  639   HH22  ARG  79          HH22      ARG  79  -8.931 -14.258   9.311
  640    H    SER  80           HN       SER  80 -12.605  -7.226   2.886
  641    HA   SER  80           HA       SER  80 -14.919  -6.752   4.352
  642    HB2  SER  80           HB2      SER  80 -14.063  -5.295   1.875
  643    HB3  SER  80           HB1      SER  80 -14.763  -4.640   3.357
  644    HG   SER  80           HG       SER  80 -12.847  -4.597   4.258
  645    H    TRP  81           HN       TRP  81 -14.329  -8.058   1.153
  646    HA   TRP  81           HA       TRP  81 -16.948  -7.536   0.075
  647    HB2  TRP  81           HB2      TRP  81 -14.769  -9.424  -0.830
  648    HB3  TRP  81           HB1      TRP  81 -16.245  -9.096  -1.712
  649    HD1  TRP  81           HD1      TRP  81 -15.839  -5.794  -1.051
  650    HE1  TRP  81           HE1      TRP  81 -14.241  -4.560  -2.622
  651    HE3  TRP  81           HE3      TRP  81 -13.222  -9.860  -2.962
  652    HZ2  TRP  81           HZ2      TRP  81 -12.173  -5.207  -4.440
  653    HZ3  TRP  81           HZ3      TRP  81 -11.502  -9.411  -4.595
  654    HH2  TRP  81           HH2      TRP  81 -10.979  -7.154  -5.325
  655    H    TYR  82           HN       TYR  82 -15.134 -10.361   1.152
  656    HA   TYR  82           HA       TYR  82 -17.448 -11.635   2.072
  657    HB2  TYR  82           HB2      TYR  82 -17.077 -13.672   0.587
  658    HB3  TYR  82           HB1      TYR  82 -17.870 -12.292  -0.139
  659    HD1  TYR  82           HD2      TYR  82 -14.339 -11.652  -0.035
  660    HD2  TYR  82           HD1      TYR  82 -17.292 -13.869  -2.162
  661    HE1  TYR  82           HE2      TYR  82 -12.847 -11.805  -1.981
  662    HE2  TYR  82           HE1      TYR  82 -15.812 -14.022  -4.078
  663    HH   TYR  82           HH       TYR  82 -13.932 -12.821  -5.035
  Start of MODEL   20
    1    H1   GLY   2           HT1      GLY   2 -12.059   8.837  -5.243
    2    H2   GLY   2           HT2      GLY   2 -13.398   8.667  -4.222
    3    H3   GLY   2           HT3      GLY   2 -12.756   7.311  -5.041
    4    HA2  GLY   2           HA1      GLY   2 -11.406   8.821  -2.917
    5    HA3  GLY   2           HA2      GLY   2 -12.141   7.226  -2.771
    6    H    ILE   3           HN       ILE   3  -9.667   7.359  -2.073
    7    HA   ILE   3           HA       ILE   3  -7.573   6.723  -2.219
    8    HB   ILE   3           HB       ILE   3  -8.585   4.488  -2.471
    9   HG12  ILE   3          HG12      ILE   3  -6.627   3.253  -3.222
   10   HG13  ILE   3          HG11      ILE   3  -5.998   4.649  -4.068
   11   HG21  ILE   3          HG21      ILE   3  -8.152   4.778  -5.432
   12   HG22  ILE   3          HG22      ILE   3  -9.708   4.757  -4.609
   13   HG23  ILE   3          HG23      ILE   3  -8.688   3.318  -4.600
   14   HD11  ILE   3          HD11      ILE   3  -5.667   5.798  -1.954
   15   HD12  ILE   3          HD12      ILE   3  -4.857   4.232  -1.947
   16   HD13  ILE   3          HD13      ILE   3  -6.377   4.447  -1.082
   17    H    LYS   4           HN       LYS   4  -8.637   7.284  -5.439
   18    HA   LYS   4           HA       LYS   4  -6.017   7.691  -6.552
   19    HB2  LYS   4           HB2      LYS   4  -8.754   8.456  -7.574
   20    HB3  LYS   4           HB1      LYS   4  -7.281   8.414  -8.519
   21    HG2  LYS   4           HG2      LYS   4  -7.186   6.013  -8.367
   22    HG3  LYS   4           HG1      LYS   4  -8.533   5.994  -7.224
   23    HD2  LYS   4           HD2      LYS   4 -10.016   6.906  -8.914
   24    HD3  LYS   4           HD1      LYS   4  -8.684   7.019 -10.060
   25    HE2  LYS   4           HE2      LYS   4 -10.102   5.083 -10.520
   26    HE3  LYS   4           HE1      LYS   4  -8.475   4.596 -10.063
   27    HZ1  LYS   4           HZ1      LYS   4 -10.772   4.624  -8.154
   28    HZ2  LYS   4           HZ2      LYS   4  -9.268   3.884  -7.931
   29    HZ3  LYS   4           HZ3      LYS   4 -10.330   3.293  -9.058
   30    H    GLN   5           HN       GLN   5  -7.339   9.408  -4.245
   31    HA   GLN   5           HA       GLN   5  -6.785  12.017  -5.460
   32    HB2  GLN   5           HB2      GLN   5  -8.675  12.974  -4.276
   33    HB3  GLN   5           HB1      GLN   5  -9.148  11.686  -5.380
   34    HG2  GLN   5           HG2      GLN   5  -9.207  10.157  -3.357
   35    HG3  GLN   5           HG1      GLN   5  -8.992  11.587  -2.361
   36   HE21  GLN   5          HE21      GLN   5 -10.982  11.236  -5.272
   37   HE22  GLN   5          HE22      GLN   5 -12.475  11.553  -4.481
   38    H    TYR   6           HN       TYR   6  -5.549   9.998  -3.321
   39    HA   TYR   6           HA       TYR   6  -5.208  11.797  -1.046
   40    HB2  TYR   6           HB2      TYR   6  -3.937   9.134  -1.701
   41    HB3  TYR   6           HB1      TYR   6  -3.531  10.108  -0.324
   42    HD1  TYR   6           HD2      TYR   6  -6.616   8.573  -1.841
   43    HD2  TYR   6           HD1      TYR   6  -4.453   9.611   1.663
   44    HE1  TYR   6           HE2      TYR   6  -8.281   7.418  -0.446
   45    HE2  TYR   6           HE1      TYR   6  -6.120   8.468   3.042
   46    HH   TYR   6           HH       TYR   6  -8.482   6.396   1.748
   47    H    SER   7           HN       SER   7  -3.111  12.360  -0.338
   48    HA   SER   7           HA       SER   7  -1.414  13.287  -2.531
   49    HB2  SER   7           HB2      SER   7  -1.099  13.767   0.445
   50    HB3  SER   7           HB1      SER   7  -0.446  14.736  -0.875
   51    HG   SER   7           HG       SER   7  -3.178  14.400  -0.203
   52    H    GLN   8           HN       GLN   8   0.986  12.776  -2.394
   53    HA   GLN   8           HA       GLN   8   1.270  10.003  -1.943
   54    HB2  GLN   8           HB2      GLN   8   3.646  10.247  -2.545
   55    HB3  GLN   8           HB1      GLN   8   2.596  11.041  -3.704
   56    HG2  GLN   8           HG2      GLN   8   3.028  13.131  -2.651
   57    HG3  GLN   8           HG1      GLN   8   4.141  12.364  -1.511
   58   HE21  GLN   8          HE21      GLN   8   3.697  13.496  -4.742
   59   HE22  GLN   8          HE22      GLN   8   5.317  13.239  -5.266
   60    H    GLU   9           HN       GLU   9   2.438  12.777  -0.084
   61    HA   GLU   9           HA       GLU   9   3.932  11.281   1.758
   62    HB2  GLU   9           HB2      GLU   9   2.618  13.967   2.229
   63    HB3  GLU   9           HB1      GLU   9   4.024  13.321   3.061
   64    HG2  GLU   9           HG2      GLU   9   5.104  14.710   1.588
   65    HG3  GLU   9           HG1      GLU   9   4.989  13.277   0.595
   66    H    GLU  10           HN       GLU  10   0.649  12.009   1.412
   67    HA   GLU  10           HA       GLU  10  -0.334  11.500   4.030
   68    HB2  GLU  10           HB2      GLU  10  -1.366  12.828   2.145
   69    HB3  GLU  10           HB1      GLU  10  -1.631  11.317   1.325
   70    HG2  GLU  10           HG2      GLU  10  -3.291  10.686   2.868
   71    HG3  GLU  10           HG1      GLU  10  -2.801  11.933   4.016
   72    H    LEU  11           HN       LEU  11  -0.081   9.681   1.051
   73    HA   LEU  11           HA       LEU  11  -1.019   7.191   2.034
   74    HB2  LEU  11           HB2      LEU  11   0.621   8.011  -0.323
   75    HB3  LEU  11           HB1      LEU  11   0.023   6.369  -0.099
   76    HG   LEU  11           HG       LEU  11  -1.793   8.763  -0.235
   77   HD11  LEU  11          HD11      LEU  11  -0.469   8.741  -2.265
   78   HD12  LEU  11          HD12      LEU  11  -2.116   8.220  -2.614
   79   HD13  LEU  11          HD13      LEU  11  -0.815   7.029  -2.508
   80   HD21  LEU  11          HD21      LEU  11  -2.742   6.718   0.692
   81   HD22  LEU  11          HD22      LEU  11  -2.196   5.817  -0.718
   82   HD23  LEU  11          HD23      LEU  11  -3.437   7.058  -0.892
   83    H    LYS  12           HN       LYS  12   2.092   8.745   1.929
   84    HA   LYS  12           HA       LYS  12   3.823   6.575   2.231
   85    HB2  LYS  12           HB2      LYS  12   4.086   9.451   3.066
   86    HB3  LYS  12           HB1      LYS  12   5.391   8.312   3.314
   87    HG2  LYS  12           HG2      LYS  12   4.174   8.753   0.596
   88    HG3  LYS  12           HG1      LYS  12   5.439   9.802   1.221
   89    HD2  LYS  12           HD2      LYS  12   5.774   6.809   1.073
   90    HD3  LYS  12           HD1      LYS  12   6.176   7.875  -0.278
   91    HE2  LYS  12           HE2      LYS  12   7.712   9.110   1.132
   92    HE3  LYS  12           HE1      LYS  12   7.318   8.093   2.509
   93    HZ1  LYS  12           HZ1      LYS  12   9.375   7.476   1.495
   94    HZ2  LYS  12           HZ2      LYS  12   8.679   7.165  -0.002
   95    HZ3  LYS  12           HZ3      LYS  12   8.305   6.199   1.329
   96    H    GLU  13           HN       GLU  13   2.057   8.366   4.749
   97    HA   GLU  13           HA       GLU  13   3.438   6.847   6.776
   98    HB2  GLU  13           HB2      GLU  13   2.071   8.023   8.434
   99    HB3  GLU  13           HB1      GLU  13   2.865   9.140   7.340
  100    HG2  GLU  13           HG2      GLU  13   0.883   9.783   6.364
  101    HG3  GLU  13           HG1      GLU  13   0.062   8.285   6.808
  102    H    MET  14           HN       MET  14   1.076   6.018   4.736
  103    HA   MET  14           HA       MET  14  -0.543   4.510   6.640
  104    HB2  MET  14           HB2      MET  14  -0.703   4.672   3.622
  105    HB3  MET  14           HB1      MET  14  -1.845   3.852   4.671
  106    HG2  MET  14           HG2      MET  14  -2.487   5.964   5.646
  107    HG3  MET  14           HG1      MET  14  -1.302   6.808   4.651
  108    HE1  MET  14           HE1      MET  14  -5.088   4.718   2.986
  109    HE2  MET  14           HE2      MET  14  -4.682   4.801   4.700
  110    HE3  MET  14           HE3      MET  14  -3.715   3.811   3.609
  111    H    ALA  15           HN       ALA  15  -0.728   2.210   6.436
  112    HA   ALA  15           HA       ALA  15   1.693   0.928   5.552
  113    HB1  ALA  15           HB1      ALA  15   0.531   0.032   7.518
  114    HB2  ALA  15           HB2      ALA  15   0.472  -1.161   6.219
  115    HB3  ALA  15           HB3      ALA  15  -0.945  -0.174   6.578
  116    H    LEU  16           HN       LEU  16   1.733  -0.416   3.671
  117    HA   LEU  16           HA       LEU  16   0.014   0.844   1.816
  118    HB2  LEU  16           HB2      LEU  16   1.225  -0.133  -0.076
  119    HB3  LEU  16           HB1      LEU  16   2.226   0.790   1.011
  120    HG   LEU  16           HG       LEU  16   2.179  -2.210   0.710
  121   HD11  LEU  16          HD11      LEU  16   3.132  -1.138  -1.196
  122   HD12  LEU  16          HD12      LEU  16   4.471  -1.786  -0.239
  123   HD13  LEU  16          HD13      LEU  16   4.088  -0.076  -0.183
  124   HD21  LEU  16          HD21      LEU  16   2.796  -1.633   3.011
  125   HD22  LEU  16          HD22      LEU  16   3.963  -0.452   2.422
  126   HD23  LEU  16          HD23      LEU  16   4.222  -2.169   2.124
  127    H    VAL  17           HN       VAL  17  -0.213  -2.052   3.426
  128    HA   VAL  17           HA       VAL  17  -2.049  -3.272   1.674
  129    HB   VAL  17           HB       VAL  17  -1.027  -4.421   3.654
  130   HG11  VAL  17          HG11      VAL  17  -2.926  -2.755   5.286
  131   HG12  VAL  17          HG12      VAL  17  -1.165  -2.676   5.312
  132   HG13  VAL  17          HG13      VAL  17  -1.989  -4.122   5.891
  133   HG21  VAL  17          HG21      VAL  17  -3.017  -5.680   4.327
  134   HG22  VAL  17          HG22      VAL  17  -2.985  -5.376   2.587
  135   HG23  VAL  17          HG23      VAL  17  -4.035  -4.422   3.629
  136    H    GLU  18           HN       GLU  18  -2.341  -0.610   3.906
  137    HA   GLU  18           HA       GLU  18  -5.203  -0.523   3.964
  138    HB2  GLU  18           HB2      GLU  18  -3.218   1.682   4.545
  139    HB3  GLU  18           HB1      GLU  18  -4.907   1.647   5.035
  140    HG2  GLU  18           HG2      GLU  18  -4.497  -0.225   6.463
  141    HG3  GLU  18           HG1      GLU  18  -2.824  -0.320   5.924
  142    H    ILE  19           HN       ILE  19  -2.664   0.957   2.121
  143    HA   ILE  19           HA       ILE  19  -4.230   2.768   0.607
  144    HB   ILE  19           HB       ILE  19  -1.660   1.369  -0.238
  145   HG12  ILE  19          HG12      ILE  19  -2.017   4.044   1.143
  146   HG13  ILE  19          HG11      ILE  19  -1.444   2.578   1.925
  147   HG21  ILE  19          HG21      ILE  19  -2.908   3.942  -1.208
  148   HG22  ILE  19          HG22      ILE  19  -2.845   2.425  -2.096
  149   HG23  ILE  19          HG23      ILE  19  -1.352   3.294  -1.732
  150   HD11  ILE  19          HD11      ILE  19   0.395   4.073   1.383
  151   HD12  ILE  19          HD12      ILE  19  -0.067   4.044  -0.319
  152   HD13  ILE  19          HD13      ILE  19   0.520   2.577   0.459
  153    H    ALA  20           HN       ALA  20  -3.050  -0.494  -0.054
  154    HA   ALA  20           HA       ALA  20  -4.365  -0.906  -2.478
  155    HB1  ALA  20           HB1      ALA  20  -3.549  -2.960  -0.421
  156    HB2  ALA  20           HB2      ALA  20  -2.516  -2.305  -1.692
  157    HB3  ALA  20           HB3      ALA  20  -3.919  -3.285  -2.115
  158    H    HIS  21           HN       HIS  21  -5.386  -1.389   0.846
  159    HA   HIS  21           HA       HIS  21  -7.760  -2.800   0.593
  160    HB2  HIS  21           HB2      HIS  21  -6.766  -2.185   2.757
  161    HB3  HIS  21           HB1      HIS  21  -7.132  -0.488   2.422
  162    HD1  HIS  21           HD1      HIS  21  -9.498   0.347   3.094
  163    HD2  HIS  21           HD2      HIS  21  -9.024  -3.787   3.397
  164    HE1  HIS  21           HE1      HIS  21 -11.507  -0.482   4.305
  165    HE2  HIS  21           HE2      HIS  21 -11.233  -2.976   4.457
  166    H    GLU  22           HN       GLU  22  -7.277   0.695   0.436
  167    HA   GLU  22           HA       GLU  22  -9.962   1.400  -0.080
  168    HB2  GLU  22           HB2      GLU  22  -7.425   2.797  -0.783
  169    HB3  GLU  22           HB1      GLU  22  -9.011   3.559  -0.725
  170    HG2  GLU  22           HG2      GLU  22  -7.415   2.460   1.591
  171    HG3  GLU  22           HG1      GLU  22  -7.809   4.148   1.279
  172    H    LEU  23           HN       LEU  23  -7.221   0.665  -2.082
  173    HA   LEU  23           HA       LEU  23  -8.036   1.410  -4.632
  174    HB2  LEU  23           HB2      LEU  23  -5.786   0.693  -3.964
  175    HB3  LEU  23           HB1      LEU  23  -6.373  -0.924  -3.705
  176    HG   LEU  23           HG       LEU  23  -6.604  -1.250  -6.155
  177   HD11  LEU  23          HD11      LEU  23  -5.860   0.486  -7.668
  178   HD12  LEU  23          HD12      LEU  23  -5.499   1.559  -6.316
  179   HD13  LEU  23          HD13      LEU  23  -7.170   1.133  -6.680
  180   HD21  LEU  23          HD21      LEU  23  -4.055  -0.000  -5.314
  181   HD22  LEU  23          HD22      LEU  23  -4.265  -1.158  -6.647
  182   HD23  LEU  23          HD23      LEU  23  -4.527  -1.658  -4.962
  183    H    PHE  24           HN       PHE  24  -8.466  -1.642  -2.943
  184    HA   PHE  24           HA       PHE  24 -10.026  -2.820  -5.043
  185    HB2  PHE  24           HB2      PHE  24  -9.379  -3.725  -2.259
  186    HB3  PHE  24           HB1      PHE  24 -10.456  -4.629  -3.321
  187    HD1  PHE  24           HD2      PHE  24  -7.040  -3.455  -2.831
  188    HD2  PHE  24           HD1      PHE  24  -9.652  -5.826  -5.150
  189    HE1  PHE  24           HE2      PHE  24  -5.108  -4.500  -3.919
  190    HE2  PHE  24           HE1      PHE  24  -7.746  -6.872  -6.243
  191    HZ   PHE  24           HZ       PHE  24  -5.470  -6.223  -5.636
  192    H    GLU  25           HN       GLU  25 -10.710  -1.268  -2.023
  193    HA   GLU  25           HA       GLU  25 -13.390  -1.943  -1.783
  194    HB2  GLU  25           HB2      GLU  25 -12.096  -0.912   0.017
  195    HB3  GLU  25           HB1      GLU  25 -11.982   0.578  -0.898
  196    HG2  GLU  25           HG2      GLU  25 -13.647   0.637   0.929
  197    HG3  GLU  25           HG1      GLU  25 -14.329   0.973  -0.661
  198    H    GLU  26           HN       GLU  26 -11.924   0.780  -3.519
  199    HA   GLU  26           HA       GLU  26 -14.518   1.653  -4.398
  200    HB2  GLU  26           HB2      GLU  26 -12.738   3.302  -4.080
  201    HB3  GLU  26           HB1      GLU  26 -11.790   2.528  -5.347
  202    HG2  GLU  26           HG2      GLU  26 -13.526   3.081  -6.983
  203    HG3  GLU  26           HG1      GLU  26 -14.493   3.823  -5.717
  204    H    HIS  27           HN       HIS  27 -11.850  -0.126  -5.826
  205    HA   HIS  27           HA       HIS  27 -12.873  -0.083  -8.470
  206    HB2  HIS  27           HB2      HIS  27 -10.476  -0.503  -7.855
  207    HB3  HIS  27           HB1      HIS  27 -10.946  -2.099  -7.299
  208    HD1  HIS  27           HD1      HIS  27  -9.473  -3.305  -9.042
  209    HD2  HIS  27           HD2      HIS  27 -12.241  -0.706 -10.735
  210    HE1  HIS  27           HE1      HIS  27  -9.499  -3.843 -11.483
  211    HE2  HIS  27           HE2      HIS  27 -10.929  -2.033 -12.493
  212    H    LYS  28           HN       LYS  28 -13.412  -2.236  -5.760
  213    HA   LYS  28           HA       LYS  28 -14.868  -3.888  -5.340
  214    HB2  LYS  28           HB2      LYS  28 -16.272  -2.780  -7.775
  215    HB3  LYS  28           HB1      LYS  28 -16.947  -4.050  -6.772
  216    HG2  LYS  28           HG2      LYS  28 -16.287  -1.254  -5.838
  217    HG3  LYS  28           HG1      LYS  28 -17.895  -1.828  -6.276
  218    HD2  LYS  28           HD2      LYS  28 -17.624  -3.583  -4.478
  219    HD3  LYS  28           HD1      LYS  28 -16.167  -2.728  -3.973
  220    HE2  LYS  28           HE2      LYS  28 -18.956  -1.572  -4.077
  221    HE3  LYS  28           HE1      LYS  28 -18.116  -2.085  -2.621
  222    HZ1  LYS  28           HZ1      LYS  28 -17.973   0.282  -2.855
  223    HZ2  LYS  28           HZ2      LYS  28 -17.382   0.156  -4.412
  224    HZ3  LYS  28           HZ3      LYS  28 -16.428  -0.349  -3.120
  225    H    LYS  29           HN       LYS  29 -12.607  -4.289  -7.294
  226    HA   LYS  29           HA       LYS  29 -13.470  -6.912  -8.253
  227    HB2  LYS  29           HB2      LYS  29 -11.893  -4.904  -9.886
  228    HB3  LYS  29           HB1      LYS  29 -12.143  -6.578 -10.339
  229    HG2  LYS  29           HG2      LYS  29 -14.328  -4.524 -10.023
  230    HG3  LYS  29           HG1      LYS  29 -13.598  -5.007 -11.555
  231    HD2  LYS  29           HD2      LYS  29 -14.390  -7.301 -11.204
  232    HD3  LYS  29           HD1      LYS  29 -15.097  -6.823  -9.661
  233    HE2  LYS  29           HE2      LYS  29 -16.794  -6.926 -11.420
  234    HE3  LYS  29           HE1      LYS  29 -16.603  -5.286 -10.810
  235    HZ1  LYS  29           HZ1      LYS  29 -15.354  -4.702 -12.768
  236    HZ2  LYS  29           HZ2      LYS  29 -16.760  -5.458 -13.290
  237    HZ3  LYS  29           HZ3      LYS  29 -15.321  -6.295 -13.296
  238    HA   PRO  30           HA       PRO  30  -9.615  -7.942  -6.262
  239    HB2  PRO  30           HB2      PRO  30  -9.416 -10.492  -7.192
  240    HB3  PRO  30           HB1      PRO  30 -10.459 -10.024  -5.847
  241    HG2  PRO  30           HG2      PRO  30 -11.143 -10.548  -8.694
  242    HG3  PRO  30           HG1      PRO  30 -12.065 -10.944  -7.235
  243    HD2  PRO  30           HD2      PRO  30 -12.635  -8.824  -8.864
  244    HD3  PRO  30           HD1      PRO  30 -13.019  -8.855  -7.134
  245    H    VAL  31           HN       VAL  31  -7.430  -8.409  -6.876
  246    HA   VAL  31           HA       VAL  31  -6.796  -8.252  -9.703
  247    HB   VAL  31           HB       VAL  31  -6.088  -6.050  -7.706
  248   HG11  VAL  31          HG11      VAL  31  -4.861  -4.942  -9.462
  249   HG12  VAL  31          HG12      VAL  31  -5.175  -6.290 -10.549
  250   HG13  VAL  31          HG13      VAL  31  -4.174  -6.528  -9.110
  251   HG21  VAL  31          HG21      VAL  31  -7.180  -4.529  -9.303
  252   HG22  VAL  31          HG22      VAL  31  -8.292  -5.722  -8.630
  253   HG23  VAL  31          HG23      VAL  31  -7.668  -5.920 -10.268
  254    HA   PRO  32           HA       PRO  32  -3.333 -10.661  -8.079
  255    HB2  PRO  32           HB2      PRO  32  -1.567 -10.166 -10.153
  256    HB3  PRO  32           HB1      PRO  32  -2.810 -11.424 -10.169
  257    HG2  PRO  32           HG2      PRO  32  -2.841  -8.703 -11.392
  258    HG3  PRO  32           HG1      PRO  32  -3.467 -10.229 -12.039
  259    HD2  PRO  32           HD2      PRO  32  -5.068  -8.354 -10.965
  260    HD3  PRO  32           HD1      PRO  32  -5.427 -10.083 -10.798
  261    H    PHE  33           HN       PHE  33  -1.254 -10.322  -7.232
  262    HA   PHE  33           HA       PHE  33  -0.853  -8.097  -5.717
  263    HB2  PHE  33           HB2      PHE  33   0.184 -10.300  -5.339
  264    HB3  PHE  33           HB1      PHE  33   1.257 -10.021  -6.715
  265    HD1  PHE  33           HD2      PHE  33   3.078  -8.366  -6.533
  266    HD2  PHE  33           HD1      PHE  33   0.588  -9.325  -3.221
  267    HE1  PHE  33           HE2      PHE  33   4.723  -7.362  -5.017
  268    HE2  PHE  33           HE1      PHE  33   2.234  -8.324  -1.695
  269    HZ   PHE  33           HZ       PHE  33   4.304  -7.342  -2.590
  270    H    GLN  34           HN       GLN  34   0.832  -8.849  -8.739
  271    HA   GLN  34           HA       GLN  34   2.477  -6.580  -8.691
  272    HB2  GLN  34           HB2      GLN  34   1.645  -8.313 -11.003
  273    HB3  GLN  34           HB1      GLN  34   2.842  -7.041 -11.142
  274    HG2  GLN  34           HG2      GLN  34   3.041  -9.422  -9.295
  275    HG3  GLN  34           HG1      GLN  34   3.834  -9.285 -10.859
  276   HE21  GLN  34          HE21      GLN  34   4.581  -6.467 -10.508
  277   HE22  GLN  34          HE22      GLN  34   5.836  -6.470  -9.336
  278    H    GLU  35           HN       GLU  35  -0.876  -6.830  -9.823
  279    HA   GLU  35           HA       GLU  35  -0.528  -4.490 -11.436
  280    HB2  GLU  35           HB2      GLU  35  -2.967  -6.150 -10.833
  281    HB3  GLU  35           HB1      GLU  35  -2.945  -4.764 -11.916
  282    HG2  GLU  35           HG2      GLU  35  -1.384  -7.309 -12.250
  283    HG3  GLU  35           HG1      GLU  35  -2.816  -6.824 -13.167
  284    H    LEU  36           HN       LEU  36  -1.970  -5.441  -8.399
  285    HA   LEU  36           HA       LEU  36  -3.113  -2.916  -7.880
  286    HB2  LEU  36           HB2      LEU  36  -3.469  -3.717  -5.605
  287    HB3  LEU  36           HB1      LEU  36  -3.879  -4.969  -6.747
  288    HG   LEU  36           HG       LEU  36  -1.446  -5.826  -6.193
  289   HD11  LEU  36          HD11      LEU  36  -2.113  -4.239  -3.741
  290   HD12  LEU  36          HD12      LEU  36  -0.724  -4.024  -4.814
  291   HD13  LEU  36          HD13      LEU  36  -0.884  -5.495  -3.845
  292   HD21  LEU  36          HD21      LEU  36  -3.777  -6.193  -4.321
  293   HD22  LEU  36          HD22      LEU  36  -2.361  -7.234  -4.404
  294   HD23  LEU  36          HD23      LEU  36  -3.451  -7.123  -5.786
  295    H    LEU  37           HN       LEU  37   0.039  -4.315  -7.404
  296    HA   LEU  37           HA       LEU  37   1.193  -2.471  -5.683
  297    HB2  LEU  37           HB2      LEU  37   2.009  -4.720  -6.312
  298    HB3  LEU  37           HB1      LEU  37   2.395  -4.104  -7.899
  299    HG   LEU  37           HG       LEU  37   4.010  -2.547  -6.829
  300   HD11  LEU  37          HD11      LEU  37   2.941  -2.560  -4.592
  301   HD12  LEU  37          HD12      LEU  37   4.652  -2.903  -4.541
  302   HD13  LEU  37          HD13      LEU  37   3.488  -4.223  -4.366
  303   HD21  LEU  37          HD21      LEU  37   4.665  -4.660  -7.859
  304   HD22  LEU  37          HD22      LEU  37   4.396  -5.494  -6.327
  305   HD23  LEU  37          HD23      LEU  37   5.669  -4.281  -6.463
  306    H    ASN  38           HN       ASN  38   1.097  -2.724  -9.206
  307    HA   ASN  38           HA       ASN  38   2.490  -0.335  -9.703
  308    HB2  ASN  38           HB2      ASN  38   0.705  -2.001 -11.451
  309    HB3  ASN  38           HB1      ASN  38   1.289  -0.439 -12.005
  310   HD21  ASN  38          HD21      ASN  38   2.180  -3.689 -11.177
  311   HD22  ASN  38          HD22      ASN  38   3.742  -3.653 -11.885
  312    H    GLU  39           HN       GLU  39  -0.912  -0.917  -9.036
  313    HA   GLU  39           HA       GLU  39  -1.676   1.662  -9.977
  314    HB2  GLU  39           HB2      GLU  39  -3.160  -0.286  -8.213
  315    HB3  GLU  39           HB1      GLU  39  -3.828   1.246  -8.749
  316    HG2  GLU  39           HG2      GLU  39  -3.461   0.419 -11.112
  317    HG3  GLU  39           HG1      GLU  39  -3.131  -1.161 -10.402
  318    H    ILE  40           HN       ILE  40  -0.991   0.246  -6.812
  319    HA   ILE  40           HA       ILE  40  -1.523   2.650  -5.478
  320    HB   ILE  40           HB       ILE  40  -0.253   1.776  -3.551
  321   HG12  ILE  40          HG12      ILE  40   0.085  -0.724  -5.167
  322   HG13  ILE  40          HG11      ILE  40   1.414   0.399  -4.839
  323   HG21  ILE  40          HG21      ILE  40  -2.197  -0.193  -4.697
  324   HG22  ILE  40          HG22      ILE  40  -2.634   1.294  -3.863
  325   HG23  ILE  40          HG23      ILE  40  -1.812  -0.003  -2.987
  326   HD11  ILE  40          HD11      ILE  40   1.125  -0.085  -2.428
  327   HD12  ILE  40          HD12      ILE  40   1.505  -1.533  -3.361
  328   HD13  ILE  40          HD13      ILE  40  -0.151  -1.233  -2.833
  329    H    ALA  41           HN       ALA  41   1.453   1.402  -6.888
  330    HA   ALA  41           HA       ALA  41   3.062   3.518  -5.921
  331    HB1  ALA  41           HB1      ALA  41   4.736   2.840  -7.541
  332    HB2  ALA  41           HB2      ALA  41   3.555   1.827  -8.375
  333    HB3  ALA  41           HB3      ALA  41   4.061   1.427  -6.730
  334    H    SER  42           HN       SER  42   0.989   3.249  -8.736
  335    HA   SER  42           HA       SER  42   1.936   5.698  -9.796
  336    HB2  SER  42           HB2      SER  42  -0.654   4.231 -10.352
  337    HB3  SER  42           HB1      SER  42  -0.038   5.597 -11.285
  338    HG   SER  42           HG       SER  42   1.525   4.409 -12.081
  339    H    LEU  43           HN       LEU  43  -0.787   4.861  -7.689
  340    HA   LEU  43           HA       LEU  43  -1.864   7.501  -7.667
  341    HB2  LEU  43           HB2      LEU  43  -2.225   5.298  -5.628
  342    HB3  LEU  43           HB1      LEU  43  -3.200   6.749  -5.740
  343    HG   LEU  43           HG       LEU  43  -3.076   4.501  -7.747
  344   HD11  LEU  43          HD11      LEU  43  -5.296   5.437  -5.956
  345   HD12  LEU  43          HD12      LEU  43  -4.349   3.960  -5.767
  346   HD13  LEU  43          HD13      LEU  43  -5.412   4.156  -7.163
  347   HD21  LEU  43          HD21      LEU  43  -4.610   7.100  -7.865
  348   HD22  LEU  43          HD22      LEU  43  -4.882   5.720  -8.923
  349   HD23  LEU  43          HD23      LEU  43  -3.338   6.567  -8.965
  350    H    LEU  44           HN       LEU  44   0.275   5.748  -5.538
  351    HA   LEU  44           HA       LEU  44   0.860   7.986  -3.834
  352    HB2  LEU  44           HB2      LEU  44   0.998   5.724  -2.962
  353    HB3  LEU  44           HB1      LEU  44   2.004   5.219  -4.288
  354    HG   LEU  44           HG       LEU  44   3.865   6.553  -3.346
  355   HD11  LEU  44          HD11      LEU  44   2.493   8.209  -2.156
  356   HD12  LEU  44          HD12      LEU  44   3.737   7.453  -1.160
  357   HD13  LEU  44          HD13      LEU  44   2.058   6.938  -1.002
  358   HD21  LEU  44          HD21      LEU  44   3.650   4.194  -2.840
  359   HD22  LEU  44          HD22      LEU  44   2.614   4.569  -1.462
  360   HD23  LEU  44          HD23      LEU  44   4.303   5.075  -1.461
  361    H    GLY  45           HN       GLY  45   1.867   9.647  -4.845
  362    HA2  GLY  45           HA2      GLY  45   3.235   9.421  -7.329
  363    HA3  GLY  45           HA1      GLY  45   3.190  10.848  -6.318
  364    H    VAL  46           HN       VAL  46   4.660   7.659  -6.135
  365    HA   VAL  46           HA       VAL  46   7.220   8.925  -5.418
  366    HB   VAL  46           HB       VAL  46   7.758   6.878  -4.163
  367   HG11  VAL  46          HG11      VAL  46   5.196   8.204  -3.319
  368   HG12  VAL  46          HG12      VAL  46   6.841   8.711  -2.924
  369   HG13  VAL  46          HG13      VAL  46   6.206   7.193  -2.286
  370   HG21  VAL  46          HG21      VAL  46   5.909   5.236  -3.672
  371   HG22  VAL  46          HG22      VAL  46   6.475   5.234  -5.338
  372   HG23  VAL  46          HG23      VAL  46   4.959   6.018  -4.949
  373    H    LYS  47           HN       LYS  47   8.838   6.875  -5.618
  374    HA   LYS  47           HA       LYS  47   8.634   5.938  -8.374
  375    HB2  LYS  47           HB2      LYS  47  11.192   5.560  -7.962
  376    HB3  LYS  47           HB1      LYS  47  10.609   7.185  -8.297
  377    HG2  LYS  47           HG2      LYS  47  10.653   7.705  -5.905
  378    HG3  LYS  47           HG1      LYS  47  11.206   6.070  -5.553
  379    HD2  LYS  47           HD2      LYS  47  13.297   6.451  -6.559
  380    HD3  LYS  47           HD1      LYS  47  12.730   7.900  -7.384
  381    HE2  LYS  47           HE2      LYS  47  14.204   8.437  -5.481
  382    HE3  LYS  47           HE1      LYS  47  12.587   9.090  -5.269
  383    HZ1  LYS  47           HZ1      LYS  47  13.606   6.605  -4.012
  384    HZ2  LYS  47           HZ2      LYS  47  12.082   7.345  -3.719
  385    HZ3  LYS  47           HZ3      LYS  47  13.506   8.111  -3.265
  386    H    LYS  48           HN       LYS  48   9.050   3.838  -8.852
  387    HA   LYS  48           HA       LYS  48   7.967   2.036  -7.000
  388    HB2  LYS  48           HB2      LYS  48   7.837   1.817  -9.520
  389    HB3  LYS  48           HB1      LYS  48   9.505   1.273  -9.488
  390    HG2  LYS  48           HG2      LYS  48   8.416  -0.771  -9.504
  391    HG3  LYS  48           HG1      LYS  48   8.623  -0.442  -7.778
  392    HD2  LYS  48           HD2      LYS  48   6.298  -1.302  -8.242
  393    HD3  LYS  48           HD1      LYS  48   6.270   0.332  -7.613
  394    HE2  LYS  48           HE2      LYS  48   4.719  -0.034  -9.469
  395    HE3  LYS  48           HE1      LYS  48   5.903   1.213  -9.851
  396    HZ1  LYS  48           HZ1      LYS  48   5.508  -0.307 -11.680
  397    HZ2  LYS  48           HZ2      LYS  48   6.004  -1.622 -10.778
  398    HZ3  LYS  48           HZ3      LYS  48   7.099  -0.412 -11.191
  399    H    GLU  49           HN       GLU  49  11.214   3.028  -7.638
  400    HA   GLU  49           HA       GLU  49  12.815   0.955  -6.722
  401    HB2  GLU  49           HB2      GLU  49  13.141   3.904  -6.127
  402    HB3  GLU  49           HB1      GLU  49  14.418   2.706  -6.012
  403    HG2  GLU  49           HG2      GLU  49  14.201   2.288  -8.424
  404    HG3  GLU  49           HG1      GLU  49  12.950   3.523  -8.497
  405    H    GLU  50           HN       GLU  50  11.530   3.599  -4.682
  406    HA   GLU  50           HA       GLU  50  12.417   2.439  -2.225
  407    HB2  GLU  50           HB2      GLU  50  11.197   4.268  -1.152
  408    HB3  GLU  50           HB1      GLU  50  12.126   4.877  -2.512
  409    HG2  GLU  50           HG2      GLU  50   9.976   4.729  -3.868
  410    HG3  GLU  50           HG1      GLU  50   9.171   4.408  -2.352
  411    H    LEU  51           HN       LEU  51   9.588   2.395  -4.128
  412    HA   LEU  51           HA       LEU  51   7.865   1.253  -2.194
  413    HB2  LEU  51           HB2      LEU  51   7.272   2.722  -4.218
  414    HB3  LEU  51           HB1      LEU  51   7.574   1.312  -5.196
  415    HG   LEU  51           HG       LEU  51   5.163   1.876  -4.782
  416   HD11  LEU  51          HD11      LEU  51   5.749  -0.328  -5.555
  417   HD12  LEU  51          HD12      LEU  51   4.404  -0.402  -4.417
  418   HD13  LEU  51          HD13      LEU  51   6.028  -0.854  -3.894
  419   HD21  LEU  51          HD21      LEU  51   5.333   2.545  -2.455
  420   HD22  LEU  51          HD22      LEU  51   5.748   0.890  -1.997
  421   HD23  LEU  51          HD23      LEU  51   4.157   1.249  -2.660
  422    H    GLY  52           HN       GLY  52  10.374   0.139  -4.209
  423    HA2  GLY  52           HA2      GLY  52   9.514  -2.537  -4.707
  424    HA3  GLY  52           HA1      GLY  52  11.123  -1.879  -4.935
  425    H    ASP  53           HN       ASP  53  11.941  -1.081  -2.625
  426    HA   ASP  53           HA       ASP  53  12.380  -3.463  -1.134
  427    HB2  ASP  53           HB2      ASP  53  12.750  -0.586  -0.241
  428    HB3  ASP  53           HB1      ASP  53  13.395  -1.990   0.612
  429    H    ARG  54           HN       ARG  54  10.090  -0.899  -0.949
  430    HA   ARG  54           HA       ARG  54   8.844  -1.789   1.424
  431    HB2  ARG  54           HB2      ARG  54   8.736   0.563   0.424
  432    HB3  ARG  54           HB1      ARG  54   7.561  -0.093  -0.701
  433    HG2  ARG  54           HG2      ARG  54   6.019  -0.569   1.065
  434    HG3  ARG  54           HG1      ARG  54   7.222  -0.160   2.290
  435    HD2  ARG  54           HD2      ARG  54   7.274   2.148   1.443
  436    HD3  ARG  54           HD1      ARG  54   6.044   1.733   0.259
  437    HE   ARG  54           HE       ARG  54   4.650   1.162   2.319
  438   HH11  ARG  54          HH11      ARG  54   7.136   3.687   2.379
  439   HH12  ARG  54          HH12      ARG  54   6.297   4.669   3.479
  440   HH21  ARG  54          HH21      ARG  54   3.463   2.636   3.879
  441   HH22  ARG  54          HH22      ARG  54   4.227   4.063   4.303
  442    H    ILE  55           HN       ILE  55   8.750  -2.987  -1.820
  443    HA   ILE  55           HA       ILE  55   6.196  -4.270  -1.824
  444    HB   ILE  55           HB       ILE  55   8.773  -5.090  -3.248
  445   HG12  ILE  55          HG12      ILE  55   6.319  -3.844  -4.436
  446   HG13  ILE  55          HG11      ILE  55   7.737  -2.908  -3.982
  447   HG21  ILE  55          HG21      ILE  55   5.989  -6.147  -3.690
  448   HG22  ILE  55          HG22      ILE  55   7.349  -7.029  -2.997
  449   HG23  ILE  55          HG23      ILE  55   7.394  -6.524  -4.689
  450   HD11  ILE  55          HD11      ILE  55   7.572  -5.084  -6.076
  451   HD12  ILE  55          HD12      ILE  55   9.057  -4.277  -5.611
  452   HD13  ILE  55          HD13      ILE  55   7.756  -3.355  -6.373
  453    H    ALA  56           HN       ALA  56   9.453  -5.192  -0.960
  454    HA   ALA  56           HA       ALA  56   8.907  -7.803  -0.034
  455    HB1  ALA  56           HB1      ALA  56  10.926  -5.839   1.009
  456    HB2  ALA  56           HB2      ALA  56  11.177  -6.961  -0.331
  457    HB3  ALA  56           HB3      ALA  56  10.948  -7.574   1.313
  458    H    GLN  57           HN       GLN  57   8.975  -4.736   1.659
  459    HA   GLN  57           HA       GLN  57   8.155  -5.591   4.183
  460    HB2  GLN  57           HB2      GLN  57   9.034  -3.269   3.340
  461    HB3  GLN  57           HB1      GLN  57   7.352  -2.922   3.016
  462    HG2  GLN  57           HG2      GLN  57   8.459  -3.611   5.746
  463    HG3  GLN  57           HG1      GLN  57   8.249  -1.978   5.148
  464   HE21  GLN  57          HE21      GLN  57   6.714  -4.768   6.454
  465   HE22  GLN  57          HE22      GLN  57   5.165  -4.058   6.728
  466    H    PHE  58           HN       PHE  58   6.360  -4.686   1.314
  467    HA   PHE  58           HA       PHE  58   3.783  -4.755   2.372
  468    HB2  PHE  58           HB2      PHE  58   4.351  -3.612   0.300
  469    HB3  PHE  58           HB1      PHE  58   4.688  -5.152  -0.468
  470    HD1  PHE  58           HD1      PHE  58   1.811  -4.167   1.707
  471    HD2  PHE  58           HD2      PHE  58   3.154  -5.307  -2.158
  472    HE1  PHE  58           HE1      PHE  58  -0.509  -4.262   0.934
  473    HE2  PHE  58           HE2      PHE  58   0.853  -5.410  -2.936
  474    HZ   PHE  58           HZ       PHE  58  -1.005  -4.885  -1.392
  475    H    TYR  59           HN       TYR  59   5.749  -7.309   0.864
  476    HA   TYR  59           HA       TYR  59   3.738  -9.257   0.805
  477    HB2  TYR  59           HB2      TYR  59   6.710  -9.534   1.218
  478    HB3  TYR  59           HB1      TYR  59   5.664 -10.938   1.327
  479    HD1  TYR  59           HD2      TYR  59   4.105 -11.320  -0.753
  480    HD2  TYR  59           HD1      TYR  59   7.643  -8.978  -0.824
  481    HE1  TYR  59           HE2      TYR  59   4.262 -11.644  -3.185
  482    HE2  TYR  59           HE1      TYR  59   7.812  -9.292  -3.254
  483    HH   TYR  59           HH       TYR  59   7.055 -10.897  -4.930
  484    H    THR  60           HN       THR  60   5.839  -8.246   3.457
  485    HA   THR  60           HA       THR  60   4.736 -10.033   5.357
  486    HB   THR  60           HB       THR  60   5.889  -7.314   5.909
  487    HG1  THR  60           HG1      THR  60   7.876  -8.256   5.742
  488   HG21  THR  60          HG21      THR  60   5.917  -9.929   7.427
  489   HG22  THR  60          HG22      THR  60   4.948  -8.508   7.823
  490   HG23  THR  60          HG23      THR  60   6.707  -8.440   7.941
  491    H    ASP  61           HN       ASP  61   4.166  -6.582   4.757
  492    HA   ASP  61           HA       ASP  61   2.291  -5.930   6.677
  493    HB2  ASP  61           HB2      ASP  61   3.570  -4.373   5.164
  494    HB3  ASP  61           HB1      ASP  61   2.477  -4.830   3.870
  495    H    LEU  62           HN       LEU  62   1.765  -7.100   3.432
  496    HA   LEU  62           HA       LEU  62  -1.057  -6.969   3.423
  497    HB2  LEU  62           HB2      LEU  62   0.381  -6.923   1.442
  498    HB3  LEU  62           HB1      LEU  62   0.868  -8.567   1.757
  499    HG   LEU  62           HG       LEU  62  -1.427  -9.325   1.276
  500   HD11  LEU  62          HD11      LEU  62  -2.991  -7.741   0.260
  501   HD12  LEU  62          HD12      LEU  62  -1.885  -6.416   0.631
  502   HD13  LEU  62          HD13      LEU  62  -2.637  -7.340   1.935
  503   HD21  LEU  62          HD21      LEU  62   0.258  -9.255  -0.475
  504   HD22  LEU  62          HD22      LEU  62  -0.181  -7.589  -0.844
  505   HD23  LEU  62          HD23      LEU  62  -1.343  -8.890  -1.116
  506    H    ASN  63           HN       ASN  63   1.252  -9.648   4.019
  507    HA   ASN  63           HA       ASN  63  -0.939 -11.504   4.259
  508    HB2  ASN  63           HB2      ASN  63   2.021 -11.915   4.560
  509    HB3  ASN  63           HB1      ASN  63   0.878 -13.167   5.023
  510   HD21  ASN  63          HD21      ASN  63   2.350 -11.467   2.414
  511   HD22  ASN  63          HD22      ASN  63   1.727 -12.484   1.151
  512    H    ILE  64           HN       ILE  64   0.525  -9.429   6.477
  513    HA   ILE  64           HA       ILE  64  -0.360 -11.154   8.664
  514    HB   ILE  64           HB       ILE  64   0.697  -9.570  10.220
  515   HG12  ILE  64          HG12      ILE  64   1.564  -8.056   7.736
  516   HG13  ILE  64          HG11      ILE  64   0.380  -7.495   8.906
  517   HG21  ILE  64          HG21      ILE  64   2.521 -10.443   7.985
  518   HG22  ILE  64          HG22      ILE  64   2.013 -11.417   9.360
  519   HG23  ILE  64          HG23      ILE  64   3.037 -10.000   9.613
  520   HD11  ILE  64          HD11      ILE  64   2.529  -6.408   9.229
  521   HD12  ILE  64          HD12      ILE  64   3.304  -7.978   9.439
  522   HD13  ILE  64          HD13      ILE  64   2.126  -7.411  10.621
  523    H    ASP  65           HN       ASP  65  -1.808  -9.101   6.693
  524    HA   ASP  65           HA       ASP  65  -3.287  -7.644   8.744
  525    HB2  ASP  65           HB2      ASP  65  -2.351  -6.305   6.877
  526    HB3  ASP  65           HB1      ASP  65  -3.297  -7.283   5.753
  527    H    GLY  66           HN       GLY  66  -5.507  -7.754   8.829
  528    HA2  GLY  66           HA2      GLY  66  -6.500 -10.276   7.768
  529    HA3  GLY  66           HA1      GLY  66  -7.100  -9.417   9.205
  530    H    ARG  67           HN       ARG  67  -6.693  -7.205   6.648
  531    HA   ARG  67           HA       ARG  67  -9.581  -7.326   6.243
  532    HB2  ARG  67           HB2      ARG  67  -7.543  -5.294   5.298
  533    HB3  ARG  67           HB1      ARG  67  -9.238  -5.236   4.873
  534    HG2  ARG  67           HG2      ARG  67  -8.861  -3.646   6.609
  535    HG3  ARG  67           HG1      ARG  67  -9.778  -4.975   7.300
  536    HD2  ARG  67           HD2      ARG  67  -7.729  -5.875   8.281
  537    HD3  ARG  67           HD1      ARG  67  -6.796  -4.568   7.560
  538    HE   ARG  67           HE       ARG  67  -8.960  -3.682   9.201
  539   HH11  ARG  67          HH11      ARG  67  -5.511  -4.543   9.154
  540   HH12  ARG  67          HH12      ARG  67  -5.176  -3.836  10.656
  541   HH21  ARG  67          HH21      ARG  67  -8.472  -2.684  11.244
  542   HH22  ARG  67          HH22      ARG  67  -6.900  -2.723  11.868
  543    H    PHE  68           HN       PHE  68  -6.613  -7.852   4.632
  544    HA   PHE  68           HA       PHE  68  -7.810  -8.226   2.051
  545    HB2  PHE  68           HB2      PHE  68  -5.121  -7.932   3.091
  546    HB3  PHE  68           HB1      PHE  68  -5.256  -9.163   1.837
  547    HD1  PHE  68           HD2      PHE  68  -5.893  -5.613   2.612
  548    HD2  PHE  68           HD1      PHE  68  -5.552  -8.599  -0.384
  549    HE1  PHE  68           HE2      PHE  68  -5.897  -3.878   0.877
  550    HE2  PHE  68           HE1      PHE  68  -5.558  -6.876  -2.120
  551    HZ   PHE  68           HZ       PHE  68  -5.726  -4.530  -1.503
  552    H    LEU  69           HN       LEU  69  -7.558 -10.059   0.816
  553    HA   LEU  69           HA       LEU  69  -7.153 -12.590   2.173
  554    HB2  LEU  69           HB2      LEU  69  -9.531 -12.260   2.340
  555    HB3  LEU  69           HB1      LEU  69  -9.632 -11.730   0.690
  556    HG   LEU  69           HG       LEU  69  -8.957 -14.045  -0.008
  557   HD11  LEU  69          HD11      LEU  69  -7.887 -14.763   2.042
  558   HD12  LEU  69          HD12      LEU  69  -9.189 -15.856   1.587
  559   HD13  LEU  69          HD13      LEU  69  -9.433 -14.691   2.888
  560   HD21  LEU  69          HD21      LEU  69 -11.272 -13.297  -0.073
  561   HD22  LEU  69          HD22      LEU  69 -11.484 -13.788   1.609
  562   HD23  LEU  69          HD23      LEU  69 -11.167 -15.000   0.368
  563    H    ALA  70           HN       ALA  70  -5.964 -13.879   0.818
  564    HA   ALA  70           HA       ALA  70  -5.819 -13.219  -2.011
  565    HB1  ALA  70           HB1      ALA  70  -3.727 -13.937  -0.901
  566    HB2  ALA  70           HB2      ALA  70  -4.220 -15.140  -2.094
  567    HB3  ALA  70           HB3      ALA  70  -4.510 -15.430  -0.378
  568    H    LEU  71           HN       LEU  71  -7.591 -13.785  -3.009
  569    HA   LEU  71           HA       LEU  71  -9.719 -15.103  -2.031
  570    HB2  LEU  71           HB2      LEU  71  -8.998 -15.042  -4.942
  571    HB3  LEU  71           HB1      LEU  71 -10.588 -15.385  -4.291
  572    HG   LEU  71           HG       LEU  71  -9.077 -12.789  -4.182
  573   HD11  LEU  71          HD11      LEU  71 -10.964 -11.985  -5.490
  574   HD12  LEU  71          HD12      LEU  71 -11.606 -13.630  -5.556
  575   HD13  LEU  71          HD13      LEU  71 -10.055 -13.253  -6.308
  576   HD21  LEU  71          HD21      LEU  71 -11.111 -11.868  -3.107
  577   HD22  LEU  71          HD22      LEU  71 -10.250 -13.018  -2.093
  578   HD23  LEU  71          HD23      LEU  71 -11.722 -13.519  -2.928
  579    H    SER  72           HN       SER  72  -8.470 -16.924  -4.792
  580    HA   SER  72           HA       SER  72  -8.827 -19.203  -3.054
  581    HB2  SER  72           HB2      SER  72  -9.008 -19.110  -6.064
  582    HB3  SER  72           HB1      SER  72  -9.247 -20.547  -5.058
  583    HG   SER  72           HG       SER  72 -10.636 -18.559  -4.056
  584    H    ASP  73           HN       ASP  73  -6.592 -18.434  -5.819
  585    HA   ASP  73           HA       ASP  73  -4.681 -19.503  -3.975
  586    HB2  ASP  73           HB2      ASP  73  -3.376 -20.823  -5.591
  587    HB3  ASP  73           HB1      ASP  73  -4.999 -21.420  -5.340
  588    H    GLN  74           HN       GLN  74  -5.144 -16.841  -5.935
  589    HA   GLN  74           HA       GLN  74  -2.531 -15.985  -5.075
  590    HB2  GLN  74           HB2      GLN  74  -1.488 -15.452  -7.164
  591    HB3  GLN  74           HB1      GLN  74  -1.958 -17.136  -7.189
  592    HG2  GLN  74           HG2      GLN  74  -3.361 -14.868  -8.609
  593    HG3  GLN  74           HG1      GLN  74  -2.317 -16.077  -9.353
  594   HE21  GLN  74          HE21      GLN  74  -3.102 -18.154  -9.595
  595   HE22  GLN  74          HE22      GLN  74  -4.768 -18.544  -9.433
  596    H    THR  75           HN       THR  75  -5.393 -14.998  -6.952
  597    HA   THR  75           HA       THR  75  -4.699 -12.289  -7.002
  598    HB   THR  75           HB       THR  75  -7.227 -11.999  -7.424
  599    HG1  THR  75           HG1      THR  75  -8.293 -13.929  -7.922
  600   HG21  THR  75          HG21      THR  75  -6.997 -12.890  -9.702
  601   HG22  THR  75          HG22      THR  75  -5.564 -13.790  -9.202
  602   HG23  THR  75          HG23      THR  75  -5.543 -12.027  -9.202
  603    H    TRP  76           HN       TRP  76  -5.065 -10.585  -5.677
  604    HA   TRP  76           HA       TRP  76  -5.954 -11.282  -3.023
  605    HB2  TRP  76           HB2      TRP  76  -4.392  -8.937  -4.098
  606    HB3  TRP  76           HB1      TRP  76  -4.934  -9.077  -2.431
  607    HD1  TRP  76           HD1      TRP  76  -2.331 -10.446  -4.861
  608    HE1  TRP  76           HE1      TRP  76  -0.566 -11.772  -3.515
  609    HE3  TRP  76           HE3      TRP  76  -4.630 -10.476  -0.294
  610    HZ2  TRP  76           HZ2      TRP  76  -0.207 -12.696  -0.881
  611    HZ3  TRP  76           HZ3      TRP  76  -3.507 -11.595   1.583
  612    HH2  TRP  76           HH2      TRP  76  -1.340 -12.680   1.289
  613    H    GLY  77           HN       GLY  77  -7.425 -10.043  -1.967
  614    HA2  GLY  77           HA2      GLY  77  -8.674  -7.796  -3.145
  615    HA3  GLY  77           HA1      GLY  77  -9.686  -9.245  -3.194
  616    H    LEU  78           HN       LEU  78 -11.032  -7.989  -1.792
  617    HA   LEU  78           HA       LEU  78 -10.062  -7.762   0.952
  618    HB2  LEU  78           HB2      LEU  78 -12.657  -6.798  -0.260
  619    HB3  LEU  78           HB1      LEU  78 -12.124  -6.504   1.383
  620    HG   LEU  78           HG       LEU  78 -10.852  -5.416  -1.127
  621   HD11  LEU  78          HD11      LEU  78 -12.949  -4.348  -0.592
  622   HD12  LEU  78          HD12      LEU  78 -11.600  -3.257  -0.284
  623   HD13  LEU  78          HD13      LEU  78 -12.408  -4.062   1.062
  624   HD21  LEU  78          HD21      LEU  78 -10.105  -4.996   1.766
  625   HD22  LEU  78          HD22      LEU  78  -9.440  -4.109   0.397
  626   HD23  LEU  78          HD23      LEU  78  -9.142  -5.841   0.547
  627    H    ARG  79           HN       ARG  79 -10.968  -8.923   2.552
  628    HA   ARG  79           HA       ARG  79 -11.814 -11.484   1.771
  629    HB2  ARG  79           HB2      ARG  79 -11.822 -12.045   4.106
  630    HB3  ARG  79           HB1      ARG  79 -10.457 -10.990   3.795
  631    HG2  ARG  79           HG2      ARG  79 -11.665  -9.110   4.740
  632    HG3  ARG  79           HG1      ARG  79 -13.078 -10.128   4.991
  633    HD2  ARG  79           HD2      ARG  79 -11.271 -11.579   6.293
  634    HD3  ARG  79           HD1      ARG  79 -10.535  -9.989   6.473
  635    HE   ARG  79           HE       ARG  79 -13.369 -10.270   7.056
  636   HH11  ARG  79          HH11      ARG  79 -10.144  -9.794   8.432
  637   HH12  ARG  79          HH12      ARG  79 -10.693  -9.636  10.038
  638   HH21  ARG  79          HH21      ARG  79 -14.126  -9.994   9.243
  639   HH22  ARG  79          HH22      ARG  79 -13.042  -9.725  10.515
  640    H    SER  80           HN       SER  80 -13.636  -8.779   3.131
  641    HA   SER  80           HA       SER  80 -15.873 -10.359   3.865
  642    HB2  SER  80           HB2      SER  80 -15.514  -7.374   3.877
  643    HB3  SER  80           HB1      SER  80 -16.731  -8.299   4.767
  644    HG   SER  80           HG       SER  80 -14.936  -9.449   5.718
  645    H    TRP  81           HN       TRP  81 -15.304 -10.022   0.887
  646    HA   TRP  81           HA       TRP  81 -17.621  -8.588  -0.141
  647    HB2  TRP  81           HB2      TRP  81 -15.647 -10.433  -1.471
  648    HB3  TRP  81           HB1      TRP  81 -17.010  -9.717  -2.308
  649    HD1  TRP  81           HD1      TRP  81 -16.607  -6.785  -0.969
  650    HE1  TRP  81           HE1      TRP  81 -14.774  -5.312  -1.932
  651    HE3  TRP  81           HE3      TRP  81 -13.738 -10.464  -3.025
  652    HZ2  TRP  81           HZ2      TRP  81 -12.387  -5.660  -3.441
  653    HZ3  TRP  81           HZ3      TRP  81 -11.699  -9.805  -4.240
  654    HH2  TRP  81           HH2      TRP  81 -11.035  -7.434  -4.428
  655    H    TYR  82           HN       TYR  82 -16.584 -11.857   0.275
  656    HA   TYR  82           HA       TYR  82 -18.890 -13.015  -1.047
  657    HB2  TYR  82           HB2      TYR  82 -16.336 -14.163   0.077
  658    HB3  TYR  82           HB1      TYR  82 -17.523 -15.053  -0.854
  659    HD1  TYR  82           HD1      TYR  82 -17.909 -14.397  -3.237
  660    HD2  TYR  82           HD2      TYR  82 -14.637 -12.938  -0.972
  661    HE1  TYR  82           HE1      TYR  82 -16.728 -13.868  -5.303
  662    HE2  TYR  82           HE2      TYR  82 -13.434 -12.399  -3.020
  663    HH   TYR  82           HH       TYR  82 -13.471 -13.232  -5.435