*HEADER    DE NOVO PROTEIN                         21-MAR-12   2LR2              
*TITLE     DESIGNED IGG AND LANTHANIDE BINDING PROBE FOR SOLUTION NMR, MRI AND   
*TITLE    2 LUMINESCENCE MICROSCOPY                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G-BINDING PROTEIN A;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE;                                
*SOURCE   3 ORGANISM_TAXID: 32630;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET29                                      
*KEYWDS    Z DOMAIN, LANTHANIDE BINDING TAG, DE NOVO PROTEIN                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    2                                                                     
*AUTHOR    A.W.BARB, T.G.HO, J.H.PRESTEGARD                                      
*REVDAT   1   12-SEP-12 2LR2    0                                                


! 0. D 50 Chi1 -180 +/- 20; wholly artificial

assign (resid  50 and name  N) (resid  50 and name CA) 
       (resid  20 and name CB) (resid  20 and name CG) 1.0   -180.0    20.00 2

! 0. 67 Phi -120 +/- 20; wholly artificial

assign (resid  66 and name  C) (resid  67 and name  N) 
       (resid  67 and name CA) (resid  67 and name  C) 1.0   -120.0    20.00 2

! 1. K 20 Phi -60.22 +/- 7.25 (-67.47 to -52.96)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0   -60.22     7.25 2

! 2. E 21 Phi -68.97 +/- 11.96 (-80.93 to -57.01)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -68.97    11.96 2

! 3. Q 22 Phi -66.46 +/- 7.25 (-73.70 to -59.21)

assign (resid  21 and name  C) (resid  22 and name  N) 
       (resid  22 and name CA) (resid  22 and name  C) 1.0   -66.46     7.25 2

! 4. Q 23 Phi -65.71 +/- 9.27 (-74.98 to -56.44)

assign (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (resid  23 and name  C) 1.0   -65.71     9.27 2

! 5. N 24 Phi -66.22 +/- 10.22 (-76.44 to -56.00)

assign (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (resid  24 and name  C) 1.0   -66.22    10.22 2

! 6. A 25 Phi -63.42 +/- 6.22 (-69.64 to -57.20)

assign (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (resid  25 and name  C) 1.0   -63.42     6.22 2

! 7. F 26 Phi -63.81 +/- 10.24 (-74.06 to -53.57)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0   -63.81    10.24 2

! 8. Y 27 Phi -60.68 +/- 7.68 (-68.36 to -53.01)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0   -60.68     7.68 2

! 9. E 28 Phi -63.38 +/- 7.87 (-71.25 to -55.51)

assign (resid  27 and name  C) (resid  28 and name  N) 
       (resid  28 and name CA) (resid  28 and name  C) 1.0   -63.38     7.87 2

! 10. I 29 Phi -63.80 +/- 9.89 (-73.68 to -53.91)

assign (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (resid  29 and name  C) 1.0   -63.80     9.89 2

! 11. L 30 Phi -67.55 +/- 21.56 (-89.11 to -45.99)

assign (resid  29 and name  C) (resid  30 and name  N) 
       (resid  30 and name CA) (resid  30 and name  C) 1.0   -67.55    21.56 2

! 12. H 31 Phi -92.74 +/- 14.74 (-107.48 to -77.99)

assign (resid  30 and name  C) (resid  31 and name  N) 
       (resid  31 and name CA) (resid  31 and name  C) 1.0   -92.74    14.74 2

! 13. L 32 Phi -77.20 +/- 47.62 (-124.82 to -29.58)

assign (resid  31 and name  C) (resid  32 and name  N) 
       (resid  32 and name CA) (resid  32 and name  C) 1.0   -77.20    47.62 2

! 14. P 33 Phi -67.24 +/- 19.86 (-87.10 to -47.38)

assign (resid  32 and name  C) (resid  33 and name  N) 
       (resid  33 and name CA) (resid  33 and name  C) 1.0   -67.24    19.86 2

! 15. L 35 Phi -87.86 +/- 68.88 (-156.74 to -18.98)

assign (resid  34 and name  C) (resid  35 and name  N) 
       (resid  35 and name CA) (resid  35 and name  C) 1.0   -87.86    68.88 2

! 16. N 36 Phi -99.26 +/- 66.31 (-165.57 to -32.95)

assign (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (resid  36 and name  C) 1.0   -99.26    66.31 2

! 17. E 37 Phi -59.14 +/- 6.72 (-65.86 to -52.42)

assign (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (resid  37 and name  C) 1.0   -59.14     6.72 2

! 18. E 38 Phi -61.16 +/- 8.37 (-69.52 to -52.79)

assign (resid  37 and name  C) (resid  38 and name  N) 
       (resid  38 and name CA) (resid  38 and name  C) 1.0   -61.16     8.37 2

! 19. Q 39 Phi -66.51 +/- 11.03 (-77.54 to -55.48)

assign (resid  38 and name  C) (resid  39 and name  N) 
       (resid  39 and name CA) (resid  39 and name  C) 1.0   -66.51    11.03 2

! 20. R 40 Phi -63.35 +/- 10.32 (-73.68 to -53.03)

assign (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0   -63.35    10.32 2

! 21. N 41 Phi -61.24 +/- 7.83 (-69.07 to -53.41)

assign (resid  40 and name  C) (resid  41 and name  N) 
       (resid  41 and name CA) (resid  41 and name  C) 1.0   -61.24     7.83 2

! 22. A 42 Phi -63.48 +/- 7.18 (-70.66 to -56.30)

assign (resid  41 and name  C) (resid  42 and name  N) 
       (resid  42 and name CA) (resid  42 and name  C) 1.0   -63.48     7.18 2

! 23. F 43 Phi -61.73 +/- 7.22 (-68.96 to -54.51)

assign (resid  42 and name  C) (resid  43 and name  N) 
       (resid  43 and name CA) (resid  43 and name  C) 1.0   -61.73     7.22 2

! 24. I 44 Phi -61.90 +/- 7.15 (-69.05 to -54.75)

assign (resid  43 and name  C) (resid  44 and name  N) 
       (resid  44 and name CA) (resid  44 and name  C) 1.0   -61.90     7.15 2

! 25. Q 45 Phi -65.03 +/- 14.06 (-79.09 to -50.97)

assign (resid  44 and name  C) (resid  45 and name  N) 
       (resid  45 and name CA) (resid  45 and name  C) 1.0   -65.03    14.06 2

! 26. S 46 Phi -64.75 +/- 9.75 (-74.50 to -55.01)

assign (resid  45 and name  C) (resid  46 and name  N) 
       (resid  46 and name CA) (resid  46 and name  C) 1.0   -64.75     9.75 2

! 27. L 47 Phi -63.01 +/- 9.03 (-72.04 to -53.98)

assign (resid  46 and name  C) (resid  47 and name  N) 
       (resid  47 and name CA) (resid  47 and name  C) 1.0   -63.01     9.03 2

! 28. K 48 Phi -64.76 +/- 14.05 (-78.82 to -50.71)

assign (resid  47 and name  C) (resid  48 and name  N) 
       (resid  48 and name CA) (resid  48 and name  C) 1.0   -64.76    14.05 2

! 29. D 49 Phi -75.21 +/- 27.02 (-102.23 to -48.18)

assign (resid  48 and name  C) (resid  49 and name  N) 
       (resid  49 and name CA) (resid  49 and name  C) 1.0   -75.21    27.02 2

! 30. D 50 Phi -90.82 +/- 45.55 (-136.37 to -45.27)

#assign (resid  49 and name  C) (resid  50 and name  N) 
#       (resid  50 and name CA) (resid  50 and name  C) 1.0   -90.82    45.55 2

! 31. D 54 Phi -78.11 +/- 25.36 (-103.47 to -52.75)

assign (resid  53 and name  C) (resid  54 and name  N) 
       (resid  54 and name CA) (resid  54 and name  C) 1.0   -78.11    25.36 2

! 32. T 55 Phi -67.05 +/- 31.38 (-98.43 to -35.68)

assign (resid  54 and name  C) (resid  55 and name  N) 
       (resid  55 and name CA) (resid  55 and name  C) 1.0   -67.05    31.38 2

! 33. N 56 Phi -96.20 +/- 13.27 (-109.47 to -82.92)

assign (resid  55 and name  C) (resid  56 and name  N) 
       (resid  56 and name CA) (resid  56 and name  C) 1.0   -96.20    13.27 2

! 34. N 57 Phi 54.45 +/- 21.68 (32.77 to 76.13)

assign (resid  56 and name  C) (resid  57 and name  N) 
       (resid  57 and name CA) (resid  57 and name  C) 1.0    54.45    21.68 2

! 35. D 58 Phi -98.71 +/- 23.24 (-121.96 to -75.47)

assign (resid  57 and name  C) (resid  58 and name  N) 
       (resid  58 and name CA) (resid  58 and name  C) 1.0   -98.71    23.24 2

! 36. Y 61 Phi -101.03 +/- 35.21 (-136.24 to -65.83)

assign (resid  60 and name  C) (resid  61 and name  N) 
       (resid  61 and name CA) (resid  61 and name  C) 1.0  -101.03    35.21 2

! 37. D 64 Phi -67.14 +/- 13.71 (-80.85 to -53.42)

assign (resid  63 and name  C) (resid  64 and name  N) 
       (resid  64 and name CA) (resid  64 and name  C) 1.0   -67.14    13.71 2

! 38. E 65 Phi -77.21 +/- 34.02 (-111.22 to -43.19)

assign (resid  64 and name  C) (resid  65 and name  N) 
       (resid  65 and name CA) (resid  65 and name  C) 1.0   -77.21    34.02 2

! 39. L 66 Phi -85.36 +/- 37.87 (-123.22 to -47.49)

assign (resid  65 and name  C) (resid  66 and name  N) 
       (resid  66 and name CA) (resid  66 and name  C) 1.0   -85.36    37.87 2

! 40. Q 70 Phi -71.11 +/- 46.26 (-117.37 to -24.85)

assign (resid  69 and name  C) (resid  70 and name  N) 
       (resid  70 and name CA) (resid  70 and name  C) 1.0   -71.11    46.26 2

! 41. S 71 Phi -62.64 +/- 6.70 (-69.35 to -55.94)

assign (resid  70 and name  C) (resid  71 and name  N) 
       (resid  71 and name CA) (resid  71 and name  C) 1.0   -62.64     6.70 2

! 42. A 72 Phi -63.09 +/- 9.45 (-72.54 to -53.65)

assign (resid  71 and name  C) (resid  72 and name  N) 
       (resid  72 and name CA) (resid  72 and name  C) 1.0   -63.09     9.45 2

! 43. N 73 Phi -70.51 +/- 12.16 (-82.67 to -58.35)

assign (resid  72 and name  C) (resid  73 and name  N) 
       (resid  73 and name CA) (resid  73 and name  C) 1.0   -70.51    12.16 2

! 44. L 74 Phi -65.24 +/- 7.68 (-72.92 to -57.56)

assign (resid  73 and name  C) (resid  74 and name  N) 
       (resid  74 and name CA) (resid  74 and name  C) 1.0   -65.24     7.68 2

! 45. L 75 Phi -60.59 +/- 10.56 (-71.14 to -50.03)

assign (resid  74 and name  C) (resid  75 and name  N) 
       (resid  75 and name CA) (resid  75 and name  C) 1.0   -60.59    10.56 2

! 46. A 76 Phi -61.03 +/- 10.49 (-71.52 to -50.54)

assign (resid  75 and name  C) (resid  76 and name  N) 
       (resid  76 and name CA) (resid  76 and name  C) 1.0   -61.03    10.49 2

! 47. E 77 Phi -63.46 +/- 11.88 (-75.34 to -51.58)

assign (resid  76 and name  C) (resid  77 and name  N) 
       (resid  77 and name CA) (resid  77 and name  C) 1.0   -63.46    11.88 2

! 48. A 78 Phi -63.64 +/- 10.53 (-74.17 to -53.11)

assign (resid  77 and name  C) (resid  78 and name  N) 
       (resid  78 and name CA) (resid  78 and name  C) 1.0   -63.64    10.53 2

! 49. K 79 Phi -64.35 +/- 6.78 (-71.13 to -57.57)

assign (resid  78 and name  C) (resid  79 and name  N) 
       (resid  79 and name CA) (resid  79 and name  C) 1.0   -64.35     6.78 2

! 50. K 80 Phi -65.04 +/- 9.97 (-75.01 to -55.06)

assign (resid  79 and name  C) (resid  80 and name  N) 
       (resid  80 and name CA) (resid  80 and name  C) 1.0   -65.04     9.97 2

! 51. L 81 Phi -63.63 +/- 8.38 (-72.01 to -55.25)

assign (resid  80 and name  C) (resid  81 and name  N) 
       (resid  81 and name CA) (resid  81 and name  C) 1.0   -63.63     8.38 2

! 52. N 82 Phi -62.08 +/- 11.26 (-73.33 to -50.82)

assign (resid  81 and name  C) (resid  82 and name  N) 
       (resid  82 and name CA) (resid  82 and name  C) 1.0   -62.08    11.26 2

! 53. D 83 Phi -64.46 +/- 11.76 (-76.22 to -52.69)

assign (resid  82 and name  C) (resid  83 and name  N) 
       (resid  83 and name CA) (resid  83 and name  C) 1.0   -64.46    11.76 2

! 54. A 84 Phi -69.90 +/- 19.20 (-89.11 to -50.70)

assign (resid  83 and name  C) (resid  84 and name  N) 
       (resid  84 and name CA) (resid  84 and name  C) 1.0   -69.90    19.20 2

! 55. Q 85 Phi -95.58 +/- 16.47 (-112.05 to -79.12)

assign (resid  84 and name  C) (resid  85 and name  N) 
       (resid  85 and name CA) (resid  85 and name  C) 1.0   -95.58    16.47 2

! 56. A 86 Phi -74.39 +/- 48.72 (-123.12 to -25.67)

assign (resid  85 and name  C) (resid  86 and name  N) 
       (resid  86 and name CA) (resid  86 and name  C) 1.0   -74.39    48.72 2

! 57. P 87 Phi -68.06 +/- 19.82 (-87.88 to -48.24)

assign (resid  86 and name  C) (resid  87 and name  N) 
       (resid  87 and name CA) (resid  87 and name  C) 1.0   -68.06    19.82 2


! 58. K 20 Psi -31.86 +/- 17.79 (-49.64 to -14.07)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   -31.86    17.79 2

! 59. E 21 Psi -37.19 +/- 9.80 (-46.99 to -27.38)

assign (resid  21 and name  N) (resid  21 and name CA) 
       (resid  21 and name  C) (resid  22 and name  N) 1.0   -37.19     9.80 2

! 60. Q 22 Psi -39.95 +/- 10.12 (-50.07 to -29.83)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   -39.95    10.12 2

! 61. Q 23 Psi -39.91 +/- 6.88 (-46.79 to -33.03)

assign (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (resid  24 and name  N) 1.0   -39.91     6.88 2

! 62. N 24 Psi -39.02 +/- 8.27 (-47.29 to -30.76)

assign (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (resid  25 and name  N) 1.0   -39.02     8.27 2

! 63. A 25 Psi -35.18 +/- 13.60 (-48.78 to -21.58)

assign (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (resid  26 and name  N) 1.0   -35.18    13.60 2

! 64. F 26 Psi -44.12 +/- 3.56 (-47.67 to -40.56)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   -44.12     3.56 2

! 65. Y 27 Psi -42.09 +/- 12.61 (-54.71 to -29.48)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   -42.09    12.61 2

! 66. E 28 Psi -43.19 +/- 14.20 (-57.39 to -28.99)

assign (resid  28 and name  N) (resid  28 and name CA) 
       (resid  28 and name  C) (resid  29 and name  N) 1.0   -43.19    14.20 2

! 67. I 29 Psi -42.61 +/- 12.12 (-54.73 to -30.48)

assign (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (resid  30 and name  N) 1.0   -42.61    12.12 2

! 68. L 30 Psi -24.48 +/- 24.01 (-48.49 to -0.48)

assign (resid  30 and name  N) (resid  30 and name CA) 
       (resid  30 and name  C) (resid  31 and name  N) 1.0   -24.48    24.01 2

! 69. H 31 Psi -9.77 +/- 32.91 (-42.68 to 23.14)

assign (resid  31 and name  N) (resid  31 and name CA) 
       (resid  31 and name  C) (resid  32 and name  N) 1.0    -9.77    32.91 2

! 70. L 32 Psi 127.66 +/- 59.11 (68.55 to 186.76)

assign (resid  32 and name  N) (resid  32 and name CA) 
       (resid  32 and name  C) (resid  33 and name  N) 1.0   127.66    59.11 2

! 71. P 33 Psi 153.86 +/- 25.66 (128.20 to 179.51)

assign (resid  33 and name  N) (resid  33 and name CA) 
       (resid  33 and name  C) (resid  34 and name  N) 1.0   153.86    25.66 2

! 72. L 35 Psi 145.18 +/- 36.60 (108.58 to 181.78)

assign (resid  35 and name  N) (resid  35 and name CA) 
       (resid  35 and name  C) (resid  36 and name  N) 1.0   145.18    36.60 2

! 73. N 36 Psi 162.91 +/- 31.39 (131.53 to 194.30)

assign (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (resid  37 and name  N) 1.0   162.91    31.39 2

! 74. E 37 Psi -33.94 +/- 14.62 (-48.56 to -19.33)

assign (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (resid  38 and name  N) 1.0   -33.94    14.62 2

! 75. E 38 Psi -43.89 +/- 14.11 (-58.00 to -29.78)

assign (resid  38 and name  N) (resid  38 and name CA) 
       (resid  38 and name  C) (resid  39 and name  N) 1.0   -43.89    14.11 2

! 76. Q 39 Psi -41.07 +/- 16.12 (-57.19 to -24.94)

assign (resid  39 and name  N) (resid  39 and name CA) 
       (resid  39 and name  C) (resid  40 and name  N) 1.0   -41.07    16.12 2

! 77. R 40 Psi -42.56 +/- 10.57 (-53.13 to -31.99)

assign (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0   -42.56    10.57 2

! 78. N 41 Psi -43.97 +/- 7.93 (-51.90 to -36.04)

assign (resid  41 and name  N) (resid  41 and name CA) 
       (resid  41 and name  C) (resid  42 and name  N) 1.0   -43.97     7.93 2

! 79. A 42 Psi -39.82 +/- 12.22 (-52.03 to -27.60)

assign (resid  42 and name  N) (resid  42 and name CA) 
       (resid  42 and name  C) (resid  43 and name  N) 1.0   -39.82    12.22 2

! 80. F 43 Psi -44.90 +/- 11.59 (-56.49 to -33.30)

assign (resid  43 and name  N) (resid  43 and name CA) 
       (resid  43 and name  C) (resid  44 and name  N) 1.0   -44.90    11.59 2

! 81. I 44 Psi -46.07 +/- 10.94 (-57.01 to -35.13)

assign (resid  44 and name  N) (resid  44 and name CA) 
       (resid  44 and name  C) (resid  45 and name  N) 1.0   -46.07    10.94 2

! 82. Q 45 Psi -34.22 +/- 9.86 (-44.08 to -24.36)

assign (resid  45 and name  N) (resid  45 and name CA) 
       (resid  45 and name  C) (resid  46 and name  N) 1.0   -34.22     9.86 2

! 83. S 46 Psi -40.76 +/- 11.73 (-52.49 to -29.03)

assign (resid  46 and name  N) (resid  46 and name CA) 
       (resid  46 and name  C) (resid  47 and name  N) 1.0   -40.76    11.73 2

! 84. L 47 Psi -40.92 +/- 15.32 (-56.24 to -25.60)

assign (resid  47 and name  N) (resid  47 and name CA) 
       (resid  47 and name  C) (resid  48 and name  N) 1.0   -40.92    15.32 2

! 85. K 48 Psi -33.57 +/- 24.45 (-58.03 to -9.12)

assign (resid  48 and name  N) (resid  48 and name CA) 
       (resid  48 and name  C) (resid  49 and name  N) 1.0   -33.57    24.45 2

! 86. D 49 Psi -26.01 +/- 31.40 (-57.41 to 5.39)

assign (resid  49 and name  N) (resid  49 and name CA) 
       (resid  49 and name  C) (resid  50 and name  N) 1.0   -26.01    31.40 2

! 87. D 50 Psi -15.06 +/- 51.27 (-66.33 to 36.21)

#assign (resid  50 and name  N) (resid  50 and name CA) 
#       (resid  50 and name  C) (resid  51 and name  N) 1.0   -15.06    51.27 2

! 88. D 54 Psi 113.35 +/- 42.56 (70.79 to 155.91)

assign (resid  54 and name  N) (resid  54 and name CA) 
       (resid  54 and name  C) (resid  55 and name  N) 1.0   113.35    42.56 2

! 89. T 55 Psi -26.34 +/- 30.38 (-56.72 to 4.04)

assign (resid  55 and name  N) (resid  55 and name CA) 
       (resid  55 and name  C) (resid  56 and name  N) 1.0   -26.34    30.38 2

! 90. N 56 Psi 9.52 +/- 20.13 (-10.61 to 29.65)

assign (resid  56 and name  N) (resid  56 and name CA) 
       (resid  56 and name  C) (resid  57 and name  N) 1.0     9.52    20.13 2

! 91. N 57 Psi 40.63 +/- 22.52 (18.11 to 63.14)

assign (resid  57 and name  N) (resid  57 and name CA) 
       (resid  57 and name  C) (resid  58 and name  N) 1.0    40.63    22.52 2

! 92. D 58 Psi 4.22 +/- 19.08 (-14.85 to 23.30)

assign (resid  58 and name  N) (resid  58 and name CA) 
       (resid  58 and name  C) (resid  59 and name  N) 1.0     4.22    19.08 2

! 93. Y 61 Psi 113.96 +/- 41.70 (72.26 to 155.66)

assign (resid  61 and name  N) (resid  61 and name CA) 
       (resid  61 and name  C) (resid  62 and name  N) 1.0   113.96    41.70 2

! 94. D 64 Psi -35.02 +/- 23.00 (-58.02 to -12.03)

assign (resid  64 and name  N) (resid  64 and name CA) 
       (resid  64 and name  C) (resid  65 and name  N) 1.0   -35.02    23.00 2

! 95. E 65 Psi -24.57 +/- 25.68 (-50.25 to 1.11)

assign (resid  65 and name  N) (resid  65 and name CA) 
       (resid  65 and name  C) (resid  66 and name  N) 1.0   -24.57    25.68 2

! 96. L 66 Psi -12.32 +/- 33.07 (-45.40 to 20.75)

assign (resid  66 and name  N) (resid  66 and name CA) 
       (resid  66 and name  C) (resid  67 and name  N) 1.0   -12.32    33.07 2

! 97. Q 70 Psi -13.85 +/- 46.74 (-60.59 to 32.90)

assign (resid  70 and name  N) (resid  70 and name CA) 
       (resid  70 and name  C) (resid  71 and name  N) 1.0   -13.85    46.74 2

! 98. S 71 Psi -41.24 +/- 8.80 (-50.03 to -32.44)

assign (resid  71 and name  N) (resid  71 and name CA) 
       (resid  71 and name  C) (resid  72 and name  N) 1.0   -41.24     8.80 2

! 99. A 72 Psi -41.45 +/- 12.47 (-53.92 to -28.98)

assign (resid  72 and name  N) (resid  72 and name CA) 
       (resid  72 and name  C) (resid  73 and name  N) 1.0   -41.45    12.47 2

! 100. N 73 Psi -35.26 +/- 7.96 (-43.22 to -27.30)

assign (resid  73 and name  N) (resid  73 and name CA) 
       (resid  73 and name  C) (resid  74 and name  N) 1.0   -35.26     7.96 2

! 101. L 74 Psi -43.91 +/- 7.60 (-51.52 to -36.31)

assign (resid  74 and name  N) (resid  74 and name CA) 
       (resid  74 and name  C) (resid  75 and name  N) 1.0   -43.91     7.60 2

! 102. L 75 Psi -44.78 +/- 11.95 (-56.73 to -32.84)

assign (resid  75 and name  N) (resid  75 and name CA) 
       (resid  75 and name  C) (resid  76 and name  N) 1.0   -44.78    11.95 2

! 103. A 76 Psi -40.76 +/- 11.88 (-52.65 to -28.88)

assign (resid  76 and name  N) (resid  76 and name CA) 
       (resid  76 and name  C) (resid  77 and name  N) 1.0   -40.76    11.88 2

! 104. E 77 Psi -40.28 +/- 7.82 (-48.10 to -32.47)

assign (resid  77 and name  N) (resid  77 and name CA) 
       (resid  77 and name  C) (resid  78 and name  N) 1.0   -40.28     7.82 2

! 105. A 78 Psi -39.57 +/- 7.60 (-47.17 to -31.97)

assign (resid  78 and name  N) (resid  78 and name CA) 
       (resid  78 and name  C) (resid  79 and name  N) 1.0   -39.57     7.60 2

! 106. K 79 Psi -40.50 +/- 5.37 (-45.87 to -35.13)

assign (resid  79 and name  N) (resid  79 and name CA) 
       (resid  79 and name  C) (resid  80 and name  N) 1.0   -40.50     5.37 2

! 107. K 80 Psi -37.67 +/- 14.18 (-51.84 to -23.49)

assign (resid  80 and name  N) (resid  80 and name CA) 
       (resid  80 and name  C) (resid  81 and name  N) 1.0   -37.67    14.18 2

! 108. L 81 Psi -42.70 +/- 6.53 (-49.23 to -36.16)

assign (resid  81 and name  N) (resid  81 and name CA) 
       (resid  81 and name  C) (resid  82 and name  N) 1.0   -42.70     6.53 2

! 109. N 82 Psi -41.72 +/- 9.97 (-51.69 to -31.74)

assign (resid  82 and name  N) (resid  82 and name CA) 
       (resid  82 and name  C) (resid  83 and name  N) 1.0   -41.72     9.97 2

! 110. D 83 Psi -38.94 +/- 15.75 (-54.69 to -23.19)

assign (resid  83 and name  N) (resid  83 and name CA) 
       (resid  83 and name  C) (resid  84 and name  N) 1.0   -38.94    15.75 2

! 111. A 84 Psi -20.63 +/- 21.94 (-42.57 to 1.30)

assign (resid  84 and name  N) (resid  84 and name CA) 
       (resid  84 and name  C) (resid  85 and name  N) 1.0   -20.63    21.94 2

! 112. Q 85 Psi 2.00 +/- 34.85 (-32.84 to 36.85)

assign (resid  85 and name  N) (resid  85 and name CA) 
       (resid  85 and name  C) (resid  86 and name  N) 1.0     2.00    34.85 2

! 113. A 86 Psi 130.16 +/- 42.84 (87.32 to 173.00)

assign (resid  86 and name  N) (resid  86 and name CA) 
       (resid  86 and name  C) (resid  87 and name  N) 1.0   130.16    42.84 2

! 114. P 87 Psi 143.97 +/- 45.17 (98.80 to 189.14)

assign (resid  87 and name  N) (resid  87 and name CA) 
       (resid  87 and name  C) (resid  88 and name  N) 1.0   143.97    45.17 2

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 34    and name HN   )  -0.06  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 32    and name HN   )  -0.15  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 78    and name HN   )  -0.08  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 42    and name HN   )  -0.23  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 25    and name HN   )  -0.62  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 35    and name HN   )  -0.07  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 24    and name HN   )  -0.53  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 79    and name HN   )  -0.07  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 40    and name HN   )  -0.15  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 37    and name HN   )  -0.08  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 36    and name HN   )  -0.06  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 43    and name HN   )  -1.22  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 27    and name HN   )  -0.50  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 41    and name HN   )  -0.24  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 71    and name HN   )  -0.39  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 31    and name HN   )  -0.21  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 34    and name N   )  -0.14  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 32    and name N   )  -0.21  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 42    and name N   )  -0.39  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 25    and name N   )  -0.64  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 35    and name N   )  -0.11  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 24    and name N   )  -0.52  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 79    and name N   )  -0.15  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 40    and name N   )  -0.20  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 37    and name N   )  -0.13  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 36    and name N   )  -0.13  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 43    and name N   )  -1.11  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 27    and name N   )  -0.63  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 41    and name N   )  -0.29  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 71    and name N   )  -0.39  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 31    and name N   )  -0.25  0.10

assign ( resid 100  and name    YB ) ( resid   24 and name    HN )  70.00   5.00
assign ( resid 100  and name    YB ) ( resid   25 and name    HN ) 107.00   5.00 
assign ( resid 100  and name    YB ) ( resid   27 and name    HN )  79.00   5.00
assign ( resid 100  and name    YB ) ( resid   31 and name    HN )  23.00   5.00
assign ( resid 100  and name    YB ) ( resid   32 and name    HN )  35.20   5.00
assign ( resid 100  and name    YB ) ( resid   34 and name    HN )  16.70   5.00
assign ( resid 100  and name    YB ) ( resid   35 and name    HN )  23.90   5.00
assign ( resid 100  and name    YB ) ( resid   36 and name    HN )  35.80   5.00
assign ( resid 100  and name    YB ) ( resid   37 and name    HN )  31.90   5.00
assign ( resid 100  and name    YB ) ( resid   40 and name    HN )  48.90   5.00
assign ( resid 100  and name    YB ) ( resid   41 and name    HN )  67.70   5.00
assign ( resid 100  and name    YB ) ( resid   42 and name    HN )  62.50   5.00
assign ( resid 100  and name    YB ) ( resid   43 and name    HN )  81.60   5.00
assign ( resid 100  and name    YB ) ( resid   71 and name    HN )  81.20   5.00
assign ( resid 100  and name    YB ) ( resid   76 and name    HN )  46.20   5.00
assign ( resid 100  and name    YB ) ( resid   78 and name    HN )  50.00   5.00
assign ( resid 100  and name    YB ) ( resid   79 and name    HN )  40.90   5.00
assign ( resid 100  and name    YB ) ( resid   80 and name    HN )  29.90   5.00
assign ( resid 100  and name    YB ) ( resid   81 and name    HN )  33.60   5.00
assign ( resid 100  and name    YB ) ( resid   82 and name    HN )  38.70   5.00
assign ( resid 100  and name    YB ) ( resid   84 and name    HN )  25.00   5.00
assign ( resid 100  and name    YB ) ( resid   85 and name    HN )  19.80   5.00
assign ( resid 100  and name    YB ) ( resid   86 and name    HN )  21.20   5.00
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 68    and name HN   )  -0.28  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 68    and name N   )  -0.27  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 59    and name HN   )  -1.05  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 59    and name N   )  -1.18  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 56    and name HN   )  0.59  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 56    and name N   )  0.59  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 43    and name HN   )  0.09  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 27    and name HN   )  0.08  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 19    and name HN   )  0.32  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 19    and name N   )  0.25  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 70    and name HN   )  0.25  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 42    and name HN   )  0.08  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 47    and name HN   )  0.28  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 25    and name HN   )  0.10  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 15    and name HN   )  0.14  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 74    and name HN   )  0.10  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 41    and name HN   )  0.07  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 46    and name HN   )  0.25  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 71    and name HN   )  0.20  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 50    and name HN   )  0.66  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 52    and name HN   )  2.38  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 17    and name HN   )  0.25  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 55    and name HN   )  0.45  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 18    and name HN   )  0.25  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 16    and name HN   )  0.18  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 21    and name HN   )  0.09  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 22    and name HN   )  0.19  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 26    and name HN   )  0.15  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 14    and name HN   )  0.13  0.05

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 57    and name HN   )  -1.55  0.05

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 70    and name N   )  0.20  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 47    and name N   )  0.27  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 15    and name N   )  0.10  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 74    and name N   )  0.12  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 46    and name N   )  0.27  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 71    and name N   )  0.13  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 50    and name N   )  0.67  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 52    and name N   )  2.28  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 17    and name N   )  0.19  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 55    and name N   )  0.43  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 18    and name N   )  0.27  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 16    and name N   )  0.17  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 22    and name N   )  0.15  0.10

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 100   and name YB  )
       ( resid 26    and name N   )  0.11  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 14    and name N   )  0.10  0.10

#assign ( resid 600  and name OO  )
#       ( resid 600  and name Z   )
#       ( resid 600  and name X   )
#       ( resid 600  and name Y   )
#       ( resid 100   and name YB  )
#       ( resid 57    and name N   )  -1.54  0.10
assign ( resid 100  and name    YB ) ( resid   19 and name    HN )  39.70   5.00
assign ( resid 100  and name    YB ) ( resid   21 and name    HN )  20.40   5.00 
assign ( resid 100  and name    YB ) ( resid   22 and name    HN )  20.50   5.00
assign ( resid 100  and name    YB ) ( resid   25 and name    HN )   8.40   2.50
assign ( resid 100  and name    YB ) ( resid   26 and name    HN )  23.00   5.00
assign ( resid 100  and name    YB ) ( resid   27 and name    HN )  18.20   5.00
assign ( resid 100  and name    YB ) ( resid   32 and name    HN )   3.90   2.50
assign ( resid 100  and name    YB ) ( resid   38 and name    HN )   8.80   2.50
assign ( resid 100  and name    YB ) ( resid   39 and name    HN )  17.50   5.00
assign ( resid 100  and name    YB ) ( resid   41 and name    HN )  10.00   2.50
assign ( resid 100  and name    YB ) ( resid   42 and name    HN )  22.00   5.00
assign ( resid 100  and name    YB ) ( resid   43 and name    HN )  18.10   5.00
assign ( resid 100  and name    YB ) ( resid   46 and name    HN )  38.30   5.00
#assign ( resid 100  and name    YB ) ( resid   47 and name    HN )  15.80   5.00
#assign ( resid 100  and name    YB ) ( resid   52 and name    HN )  59.90   5.00
#assign ( resid 100  and name    YB ) ( resid   68 and name    HN )  18.60   5.00
assign ( resid 100  and name    YB ) ( resid   72 and name    HN )   5.60   2.50
assign ( resid 100  and name    YB ) ( resid   74 and name    HN )  22.80   5.00
assign ( resid 100  and name    YB ) ( resid   76 and name    HN )   5.90   2.50
assign ( resid 100  and name    YB ) ( resid   77 and name    HN )   9.00   2.50
assign ( resid 100  and name    YB ) ( resid   78 and name    HN )  12.00   5.00
assign ( resid 100  and name    YB ) ( resid   79 and name    HN )  15.20   5.00
assign ( resid 100  and name    YB ) ( resid   80 and name    HN )   6.50   2.50
assign ( resid 100  and name    YB ) ( resid   81 and name    HN )   2.90   2.50
assign ( resid 100  and name    YB ) ( resid   82 and name    HN )   8.10   2.50
assign ( resid 100  and name    YB ) ( resid   84 and name    HN )   7.50   2.50

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY  13           1H       GLY  13   4.005  23.475   9.798
    2    HA2  GLY  13           1HA      GLY  13   5.017  20.961  10.957
    3    HA3  GLY  13           2HA      GLY  13   4.566  22.459  11.772
    4    H    VAL  14           H        VAL  14   2.886  20.423   9.343
    5    HA   VAL  14           HA       VAL  14   0.556  20.056  11.195
    6    HB   VAL  14           HB       VAL  14   0.576  20.677   8.164
    7   HG11  VAL  14          1HG1      VAL  14  -1.784  19.647   9.870
    8   HG12  VAL  14          2HG1      VAL  14  -1.182  18.981   8.348
    9   HG13  VAL  14          3HG1      VAL  14  -2.033  20.520   8.355
   10   HG21  VAL  14          3HG2      VAL  14  -0.769  22.216  10.508
   11   HG22  VAL  14          1HG2      VAL  14  -0.846  22.672   8.802
   12   HG23  VAL  14          2HG2      VAL  14   0.692  22.726   9.656
   13    H    ASP  15           H        ASP  15  -0.092  18.003  11.524
   14    HA   ASP  15           HA       ASP  15   1.431  15.744  10.534
   15    HB2  ASP  15           1HB      ASP  15  -1.091  15.916  12.300
   16    HB3  ASP  15           2HB      ASP  15  -0.325  14.386  11.880
   17    H    ASN  16           H        ASN  16   0.858  14.127   9.122
   18    HA   ASN  16           HA       ASN  16  -1.242  14.729   7.098
   19    HB2  ASN  16           1HB      ASN  16   1.291  13.009   7.031
   20    HB3  ASN  16           2HB      ASN  16   0.131  13.036   5.705
   21   HD21  ASN  16          2HD2      ASN  16   2.859  13.872   5.330
   22   HD22  ASN  16          1HD2      ASN  16   2.868  15.536   4.991
   23    H    LYS  17           H        LYS  17  -2.781  13.302   6.497
   24    HA   LYS  17           HA       LYS  17  -3.458  10.981   8.278
   25    HB2  LYS  17           1HB      LYS  17  -5.157  12.778   6.432
   26    HB3  LYS  17           2HB      LYS  17  -5.811  11.395   7.320
   27    HG2  LYS  17           1HG      LYS  17  -5.174  12.503   9.515
   28    HG3  LYS  17           2HG      LYS  17  -4.499  13.875   8.630
   29    HD2  LYS  17           1HD      LYS  17  -6.827  14.391   7.688
   30    HD3  LYS  17           2HD      LYS  17  -7.487  13.051   8.634
   31    HE2  LYS  17           1HE      LYS  17  -6.072  15.495   9.893
   32    HE3  LYS  17           2HE      LYS  17  -7.820  15.312   9.771
   33    HZ1  LYS  17           3HZ      LYS  17  -7.377  13.070  10.956
   34    HZ2  LYS  17           1HZ      LYS  17  -7.386  14.507  11.857
   35    HZ3  LYS  17           2HZ      LYS  17  -5.909  13.792  11.416
   36    H    PHE  18           H        PHE  18  -4.258   8.934   7.252
   37    HA   PHE  18           HA       PHE  18  -3.072   8.267   4.688
   38    HB2  PHE  18           1HB      PHE  18  -4.909   6.282   4.882
   39    HB3  PHE  18           2HB      PHE  18  -3.469   6.205   5.828
   40    HD1  PHE  18           HD1      PHE  18  -7.156   6.816   6.043
   41    HD2  PHE  18           HD2      PHE  18  -3.445   6.614   8.299
   42    HE1  PHE  18           HE1      PHE  18  -8.435   6.781   8.165
   43    HE2  PHE  18           HE2      PHE  18  -4.753   6.587  10.402
   44    HZ   PHE  18           HZ       PHE  18  -7.240   6.679  10.345
   45    H    ASN  19           H        ASN  19  -4.275   9.267   2.397
   46    HA   ASN  19           HA       ASN  19  -6.796  10.146   3.570
   47    HB2  ASN  19           1HB      ASN  19  -5.400  10.767   0.921
   48    HB3  ASN  19           2HB      ASN  19  -6.987  11.392   1.302
   49   HD21  ASN  19          2HD2      ASN  19  -4.702  13.119   0.876
   50   HD22  ASN  19          1HD2      ASN  19  -4.383  13.916   2.341
   51    H    LYS  20           H        LYS  20  -8.313  10.130   1.157
   52    HA   LYS  20           HA       LYS  20  -9.287   7.400   1.256
   53    HB2  LYS  20           1HB      LYS  20 -11.185   8.276  -0.105
   54    HB3  LYS  20           2HB      LYS  20 -10.900   9.246   1.335
   55    HG2  LYS  20           1HG      LYS  20  -9.708  11.015  -0.087
   56    HG3  LYS  20           2HG      LYS  20  -9.950  10.038  -1.521
   57    HD2  LYS  20           1HD      LYS  20 -11.662  11.740  -1.622
   58    HD3  LYS  20           2HD      LYS  20 -12.500  10.254  -1.195
   59    HE2  LYS  20           1HE      LYS  20 -12.608  10.977   1.211
   60    HE3  LYS  20           2HE      LYS  20 -11.669  12.426   0.842
   61    HZ1  LYS  20           3HZ      LYS  20 -14.425  11.738   0.090
   62    HZ2  LYS  20           1HZ      LYS  20 -13.540  12.839  -0.851
   63    HZ3  LYS  20           2HZ      LYS  20 -13.814  13.158   0.795
   64    H    GLU  21           H        GLU  21  -8.051   9.611  -1.252
   65    HA   GLU  21           HA       GLU  21  -8.173   7.936  -3.451
   66    HB2  GLU  21           1HB      GLU  21  -7.516  10.364  -3.546
   67    HB3  GLU  21           2HB      GLU  21  -5.974   9.966  -2.802
   68    HG2  GLU  21           1HG      GLU  21  -5.331   8.568  -4.828
   69    HG3  GLU  21           2HG      GLU  21  -6.904   8.883  -5.556
   70    H    GLN  22           H        GLN  22  -5.968   7.871  -0.745
   71    HA   GLN  22           HA       GLN  22  -4.116   6.038  -2.009
   72    HB2  GLN  22           1HB      GLN  22  -4.223   6.593   0.992
   73    HB3  GLN  22           2HB      GLN  22  -2.803   6.269  -0.003
   74    HG2  GLN  22           1HG      GLN  22  -4.480   8.858   0.075
   75    HG3  GLN  22           2HG      GLN  22  -2.844   8.676   0.645
   76   HE21  GLN  22          2HE2      GLN  22  -4.053  10.460  -1.542
   77   HE22  GLN  22          1HE2      GLN  22  -3.070  10.166  -2.893
   78    H    GLN  23           H        GLN  23  -6.305   5.813   0.808
   79    HA   GLN  23           HA       GLN  23  -6.094   3.128   1.353
   80    HB2  GLN  23           1HB      GLN  23  -8.628   4.846   1.505
   81    HB3  GLN  23           2HB      GLN  23  -8.551   3.202   2.129
   82    HG2  GLN  23           1HG      GLN  23  -6.782   3.875   3.776
   83    HG3  GLN  23           2HG      GLN  23  -6.757   5.501   3.124
   84   HE21  GLN  23          2HE2      GLN  23  -7.998   3.750   5.703
   85   HE22  GLN  23          1HE2      GLN  23  -9.346   4.716   6.072
   86    H    ASN  24           H        ASN  24  -8.044   4.687  -1.153
   87    HA   ASN  24           HA       ASN  24  -9.496   2.440  -2.007
   88    HB2  ASN  24           1HB      ASN  24 -10.075   4.752  -2.713
   89    HB3  ASN  24           2HB      ASN  24  -8.558   4.889  -3.596
   90   HD21  ASN  24          2HD2      ASN  24  -9.102   4.802  -5.820
   91   HD22  ASN  24          1HD2      ASN  24 -10.192   3.702  -6.514
   92    H    ALA  25           H        ALA  25  -6.378   3.733  -3.140
   93    HA   ALA  25           HA       ALA  25  -5.949   1.688  -5.078
   94    HB1  ALA  25           3HB      ALA  25  -4.688   3.649  -5.477
   95    HB2  ALA  25           1HB      ALA  25  -3.467   2.649  -4.688
   96    HB3  ALA  25           2HB      ALA  25  -4.334   3.872  -3.782
   97    H    PHE  26           H        PHE  26  -5.097   2.072  -1.681
   98    HA   PHE  26           HA       PHE  26  -3.239   0.000  -1.418
   99    HB2  PHE  26           1HB      PHE  26  -3.738   1.561   0.495
  100    HB3  PHE  26           2HB      PHE  26  -5.362   0.955   0.583
  101    HD1  PHE  26           HD1      PHE  26  -1.771   0.021   1.313
  102    HD2  PHE  26           HD2      PHE  26  -5.917  -1.215   1.727
  103    HE1  PHE  26           HE1      PHE  26  -1.127  -1.754   2.903
  104    HE2  PHE  26           HE2      PHE  26  -5.220  -2.973   3.327
  105    HZ   PHE  26           HZ       PHE  26  -2.825  -3.246   3.918
  106    H    TYR  27           H        TYR  27  -6.769  -0.066  -1.430
  107    HA   TYR  27           HA       TYR  27  -7.013  -2.812  -0.685
  108    HB2  TYR  27           1HB      TYR  27  -8.922  -0.791  -1.873
  109    HB3  TYR  27           2HB      TYR  27  -9.417  -2.470  -1.764
  110    HD1  TYR  27           HD1      TYR  27  -9.079  -3.637   0.684
  111    HD2  TYR  27           HD2      TYR  27  -9.387   0.651   0.071
  112    HE1  TYR  27           HE1      TYR  27  -9.741  -3.314   3.059
  113    HE2  TYR  27           HE2      TYR  27 -10.012   0.928   2.442
  114    HH   TYR  27           HH       TYR  27 -11.114  -1.444   4.353
  115    H    GLU  28           H        GLU  28  -7.011  -1.094  -3.793
  116    HA   GLU  28           HA       GLU  28  -7.599  -3.220  -5.490
  117    HB2  GLU  28           1HB      GLU  28  -5.885  -0.794  -5.951
  118    HB3  GLU  28           2HB      GLU  28  -6.321  -1.902  -7.240
  119    HG2  GLU  28           1HG      GLU  28  -8.347  -0.330  -5.510
  120    HG3  GLU  28           2HG      GLU  28  -7.863   0.145  -7.126
  121    H    ILE  29           H        ILE  29  -4.461  -2.184  -4.186
  122    HA   ILE  29           HA       ILE  29  -2.904  -4.114  -5.563
  123    HB   ILE  29           HB       ILE  29  -2.471  -2.325  -3.129
  124   HG12  ILE  29          1HG1      ILE  29  -0.389  -1.852  -4.987
  125   HG13  ILE  29          2HG1      ILE  29  -1.697  -2.276  -6.063
  126   HG21  ILE  29          1HG2      ILE  29  -0.008  -3.096  -3.062
  127   HG22  ILE  29          2HG2      ILE  29  -0.468  -4.483  -4.037
  128   HG23  ILE  29          3HG2      ILE  29  -1.147  -4.280  -2.429
  129   HD11  ILE  29          3HD1      ILE  29  -2.149  -0.180  -3.945
  130   HD12  ILE  29          1HD1      ILE  29  -2.933  -0.418  -5.462
  131   HD13  ILE  29          2HD1      ILE  29  -1.337   0.200  -5.394
  132    H    LEU  30           H        LEU  30  -4.794  -4.207  -2.630
  133    HA   LEU  30           HA       LEU  30  -3.642  -6.690  -1.690
  134    HB2  LEU  30           1HB      LEU  30  -4.568  -4.909  -0.125
  135    HB3  LEU  30           2HB      LEU  30  -6.163  -5.212  -0.779
  136    HG   LEU  30           HG       LEU  30  -6.135  -7.585   0.155
  137   HD11  LEU  30          1HD1      LEU  30  -3.319  -6.873   1.099
  138   HD12  LEU  30          2HD1      LEU  30  -3.857  -8.286   0.193
  139   HD13  LEU  30          3HD1      LEU  30  -4.272  -8.131   1.888
  140   HD21  LEU  30          3HD2      LEU  30  -6.358  -7.037   2.557
  141   HD22  LEU  30          1HD2      LEU  30  -7.109  -5.786   1.577
  142   HD23  LEU  30          2HD2      LEU  30  -5.535  -5.491   2.324
  143    H    HIS  31           H        HIS  31  -5.748  -5.896  -4.141
  144    HA   HIS  31           HA       HIS  31  -7.363  -8.337  -3.879
  145    HB2  HIS  31           1HB      HIS  31  -7.633  -5.891  -5.665
  146    HB3  HIS  31           2HB      HIS  31  -8.623  -7.314  -5.928
  147    HD1  HIS  31           HD1      HIS  31  -9.543  -8.134  -3.242
  148    HD2  HIS  31           HD2      HIS  31  -9.324  -4.105  -4.251
  149    HE1  HIS  31           HE1      HIS  31 -11.125  -6.916  -1.697
  150    HE2  HIS  31           HE2      HIS  31 -10.987  -4.457  -2.290
  151    H    LEU  32           H        LEU  32  -4.388  -7.538  -5.170
  152    HA   LEU  32           HA       LEU  32  -4.507  -8.559  -7.758
  153    HB2  LEU  32           1HB      LEU  32  -2.101  -8.652  -5.862
  154    HB3  LEU  32           2HB      LEU  32  -2.002  -8.804  -7.605
  155    HG   LEU  32           HG       LEU  32  -2.876  -6.350  -6.046
  156   HD11  LEU  32          1HD1      LEU  32  -0.232  -7.042  -6.812
  157   HD12  LEU  32          2HD1      LEU  32  -0.783  -5.537  -6.128
  158   HD13  LEU  32          3HD1      LEU  32  -0.717  -5.716  -7.865
  159   HD21  LEU  32          3HD2      LEU  32  -3.073  -6.711  -9.023
  160   HD22  LEU  32          1HD2      LEU  32  -2.899  -5.110  -8.335
  161   HD23  LEU  32          2HD2      LEU  32  -4.273  -6.098  -7.911
  162    HA   PRO  33           HA       PRO  33  -5.084 -13.073  -6.794
  163    HB2  PRO  33           1HB      PRO  33  -5.493 -14.073  -9.301
  164    HB3  PRO  33           2HB      PRO  33  -6.766 -13.189  -8.419
  165    HG2  PRO  33           1HG      PRO  33  -4.877 -12.164 -10.571
  166    HG3  PRO  33           2HG      PRO  33  -6.629 -11.900 -10.396
  167    HD2  PRO  33           1HD      PRO  33  -4.835 -10.012  -9.585
  168    HD3  PRO  33           2HD      PRO  33  -6.379 -10.230  -8.746
  169    H    ASN  34           H        ASN  34  -3.788 -15.056  -7.104
  170    HA   ASN  34           HA       ASN  34  -1.790 -16.206  -7.183
  171    HB2  ASN  34           1HB      ASN  34  -1.305 -14.537  -9.753
  172    HB3  ASN  34           2HB      ASN  34  -0.338 -15.922  -9.270
  173   HD21  ASN  34          2HD2      ASN  34  -2.634 -15.219 -11.460
  174   HD22  ASN  34          1HD2      ASN  34  -3.490 -16.684 -11.510
  175    H    LEU  35           H        LEU  35  -1.740 -14.571  -5.243
  176    HA   LEU  35           HA       LEU  35  -0.135 -12.276  -5.239
  177    HB2  LEU  35           1HB      LEU  35  -0.900 -14.216  -2.957
  178    HB3  LEU  35           2HB      LEU  35  -0.076 -12.695  -2.649
  179    HG   LEU  35           HG       LEU  35  -2.836 -12.821  -4.050
  180   HD11  LEU  35          1HD1      LEU  35  -3.174 -13.713  -1.754
  181   HD12  LEU  35          2HD1      LEU  35  -3.891 -12.117  -1.881
  182   HD13  LEU  35          3HD1      LEU  35  -2.342 -12.320  -1.046
  183   HD21  LEU  35          3HD2      LEU  35  -1.585 -10.677  -4.444
  184   HD22  LEU  35          1HD2      LEU  35  -1.376 -10.443  -2.721
  185   HD23  LEU  35          2HD2      LEU  35  -2.981 -10.375  -3.429
  186    H    ASN  36           H        ASN  36   1.904 -11.800  -4.942
  187    HA   ASN  36           HA       ASN  36   3.969 -13.845  -4.273
  188    HB2  ASN  36           1HB      ASN  36   4.205 -12.983  -6.682
  189    HB3  ASN  36           2HB      ASN  36   4.335 -11.358  -6.070
  190   HD21  ASN  36          2HD2      ASN  36   6.479 -12.419  -7.570
  191   HD22  ASN  36          1HD2      ASN  36   7.813 -12.690  -6.557
  192    H    GLU  37           H        GLU  37   4.581 -13.390  -2.287
  193    HA   GLU  37           HA       GLU  37   3.454 -11.288  -0.774
  194    HB2  GLU  37           1HB      GLU  37   5.669 -13.306  -0.063
  195    HB3  GLU  37           2HB      GLU  37   4.940 -12.223   1.116
  196    HG2  GLU  37           1HG      GLU  37   3.655 -14.206   1.437
  197    HG3  GLU  37           2HG      GLU  37   2.604 -13.303   0.362
  198    H    GLU  38           H        GLU  38   6.794 -11.886  -1.850
  199    HA   GLU  38           HA       GLU  38   8.036  -9.709  -0.636
  200    HB2  GLU  38           1HB      GLU  38   8.642 -11.074  -3.321
  201    HB3  GLU  38           2HB      GLU  38   9.728  -9.893  -2.573
  202    HG2  GLU  38           1HG      GLU  38  10.034 -11.412  -0.570
  203    HG3  GLU  38           2HG      GLU  38   8.894 -12.573  -1.256
  204    H    GLN  39           H        GLN  39   6.327  -9.896  -3.739
  205    HA   GLN  39           HA       GLN  39   6.872  -7.207  -4.515
  206    HB2  GLN  39           1HB      GLN  39   4.748  -9.184  -5.438
  207    HB3  GLN  39           2HB      GLN  39   4.972  -7.631  -6.163
  208    HG2  GLN  39           1HG      GLN  39   7.324  -8.213  -6.859
  209    HG3  GLN  39           2HG      GLN  39   7.155  -9.787  -6.079
  210   HE21  GLN  39          2HE2      GLN  39   7.803 -10.234  -8.577
  211   HE22  GLN  39          1HE2      GLN  39   6.488 -10.525  -9.610
  212    H    ARG  40           H        ARG  40   3.950  -8.766  -3.182
  213    HA   ARG  40           HA       ARG  40   2.273  -6.599  -2.988
  214    HB2  ARG  40           1HB      ARG  40   1.670  -8.989  -2.380
  215    HB3  ARG  40           2HB      ARG  40   2.628  -8.845  -0.915
  216    HG2  ARG  40           1HG      ARG  40   1.102  -7.113  -0.036
  217    HG3  ARG  40           2HG      ARG  40   0.118  -7.112  -1.491
  218    HD2  ARG  40           1HD      ARG  40  -1.051  -8.450   0.233
  219    HD3  ARG  40           2HD      ARG  40  -0.445  -9.567  -0.951
  220    HE   ARG  40           HE       ARG  40   1.111 -10.418   0.567
  221   HH11  ARG  40          1HH2      ARG  40  -0.477  -7.626   1.950
  222   HH12  ARG  40          2HH2      ARG  40   0.106  -7.937   3.548
  223   HH21  ARG  40          1HH1      ARG  40   1.860 -10.782   2.662
  224   HH22  ARG  40          2HH1      ARG  40   1.419  -9.708   3.947
  225    H    ASN  41           H        ASN  41   4.612  -7.653  -0.505
  226    HA   ASN  41           HA       ASN  41   4.191  -5.598   1.329
  227    HB2  ASN  41           1HB      ASN  41   5.676  -7.770   1.514
  228    HB3  ASN  41           2HB      ASN  41   6.968  -6.783   0.872
  229   HD21  ASN  41          2HD2      ASN  41   8.233  -6.593   2.820
  230   HD22  ASN  41          1HD2      ASN  41   7.656  -5.865   4.241
  231    H    ALA  42           H        ALA  42   6.959  -5.759  -0.923
  232    HA   ALA  42           HA       ALA  42   8.029  -3.299  -0.680
  233    HB1  ALA  42           3HB      ALA  42   7.492  -4.654  -3.375
  234    HB2  ALA  42           1HB      ALA  42   8.850  -5.020  -2.310
  235    HB3  ALA  42           2HB      ALA  42   8.729  -3.432  -3.070
  236    H    PHE  43           H        PHE  43   5.205  -4.023  -2.732
  237    HA   PHE  43           HA       PHE  43   4.759  -1.313  -3.491
  238    HB2  PHE  43           1HB      PHE  43   2.704  -3.596  -3.518
  239    HB3  PHE  43           2HB      PHE  43   2.723  -2.154  -4.475
  240    HD1  PHE  43           HD1      PHE  43   6.064  -2.506  -4.872
  241    HD2  PHE  43           HD2      PHE  43   2.483  -4.799  -5.844
  242    HE1  PHE  43           HE1      PHE  43   7.315  -3.732  -6.536
  243    HE2  PHE  43           HE2      PHE  43   3.793  -5.978  -7.585
  244    HZ   PHE  43           HZ       PHE  43   6.211  -5.496  -7.847
  245    H    ILE  44           H        ILE  44   3.279  -3.429  -1.044
  246    HA   ILE  44           HA       ILE  44   1.379  -1.594  -0.080
  247    HB   ILE  44           HB       ILE  44   2.620  -4.065   1.086
  248   HG12  ILE  44          1HG1      ILE  44  -0.235  -3.340   0.229
  249   HG13  ILE  44          2HG1      ILE  44   0.792  -4.582  -0.439
  250   HG21  ILE  44          1HG2      ILE  44   2.546  -2.832   3.156
  251   HG22  ILE  44          2HG2      ILE  44   1.175  -3.911   3.190
  252   HG23  ILE  44          3HG2      ILE  44   0.943  -2.218   2.803
  253   HD11  ILE  44          3HD1      ILE  44  -0.842  -5.737   0.873
  254   HD12  ILE  44          1HD1      ILE  44  -0.728  -4.588   2.195
  255   HD13  ILE  44          2HD1      ILE  44   0.581  -5.743   1.920
  256    H    GLN  45           H        GLN  45   4.766  -2.132   0.774
  257    HA   GLN  45           HA       GLN  45   4.862  -0.452   3.039
  258    HB2  GLN  45           1HB      GLN  45   7.058  -1.308   1.081
  259    HB3  GLN  45           2HB      GLN  45   7.403  -0.349   2.519
  260    HG2  GLN  45           1HG      GLN  45   6.551  -2.211   3.988
  261    HG3  GLN  45           2HG      GLN  45   6.117  -3.163   2.583
  262   HE21  GLN  45          2HE2      GLN  45   8.544  -2.841   4.883
  263   HE22  GLN  45          1HE2      GLN  45   9.833  -3.529   4.021
  264    H    SER  46           H        SER  46   5.796   0.206  -0.345
  265    HA   SER  46           HA       SER  46   6.510   2.862  -0.115
  266    HB2  SER  46           1HB      SER  46   5.146   1.419  -2.407
  267    HB3  SER  46           2HB      SER  46   5.824   3.037  -2.569
  268    HG   SER  46           HG       SER  46   7.262   1.295  -3.144
  269    H    LEU  47           H        LEU  47   3.294   1.445  -0.215
  270    HA   LEU  47           HA       LEU  47   1.859   3.878  -0.569
  271    HB2  LEU  47           1HB      LEU  47   1.097   1.152   0.538
  272    HB3  LEU  47           2HB      LEU  47  -0.101   2.413   0.294
  273    HG   LEU  47           HG       LEU  47   1.710   1.333  -1.959
  274   HD11  LEU  47          1HD1      LEU  47  -0.608   0.029  -0.846
  275   HD12  LEU  47          2HD1      LEU  47   0.411  -0.477  -2.149
  276   HD13  LEU  47          3HD1      LEU  47  -0.950   0.551  -2.461
  277   HD21  LEU  47          3HD2      LEU  47   1.048   3.341  -2.793
  278   HD22  LEU  47          1HD2      LEU  47  -0.416   3.403  -1.850
  279   HD23  LEU  47          2HD2      LEU  47  -0.365   2.433  -3.297
  280    H    LYS  48           H        LYS  48   3.627   2.651   2.035
  281    HA   LYS  48           HA       LYS  48   2.086   4.223   4.000
  282    HB2  LYS  48           1HB      LYS  48   2.478   1.823   4.587
  283    HB3  LYS  48           2HB      LYS  48   4.211   2.009   4.378
  284    HG2  LYS  48           1HG      LYS  48   4.296   3.618   6.353
  285    HG3  LYS  48           2HG      LYS  48   2.556   3.467   6.561
  286    HD2  LYS  48           1HD      LYS  48   2.888   1.011   7.078
  287    HD3  LYS  48           2HD      LYS  48   4.611   1.175   6.886
  288    HE2  LYS  48           1HE      LYS  48   4.679   2.759   8.834
  289    HE3  LYS  48           2HE      LYS  48   2.934   2.631   9.049
  290    HZ1  LYS  48           3HZ      LYS  48   4.331   0.102   8.961
  291    HZ2  LYS  48           1HZ      LYS  48   3.158   0.665  10.048
  292    HZ3  LYS  48           2HZ      LYS  48   4.786   1.101  10.259
  293    H    ASP  49           H        ASP  49   5.311   3.767   2.594
  294    HA   ASP  49           HA       ASP  49   6.807   5.096   4.427
  295    HB2  ASP  49           1HB      ASP  49   7.366   4.632   1.480
  296    HB3  ASP  49           2HB      ASP  49   8.612   5.239   2.563
  297    H    ASP  50           H        ASP  50   4.918   6.955   2.307
  298    HA   ASP  50           HA       ASP  50   6.561   9.209   1.843
  299    HB2  ASP  50           1HB      ASP  50   4.450   8.780   0.680
  300    HB3  ASP  50           2HB      ASP  50   3.549   9.068   2.161
  301    H    SER  51           H        SER  51   4.323   8.677   4.675
  302    HA   SER  51           HA       SER  51   5.829  10.492   6.437
  303    HB2  SER  51           1HB      SER  51   3.742  11.861   7.050
  304    HB3  SER  51           2HB      SER  51   4.324  12.179   5.413
  305    HG   SER  51           HG       SER  51   2.217  11.808   5.127
  306    H    TYR  52           H        TYR  52   4.928  10.041   8.966
  307    HA   TYR  52           HA       TYR  52   3.649   7.303   9.070
  308    HB2  TYR  52           1HB      TYR  52   6.012   8.471  10.595
  309    HB3  TYR  52           2HB      TYR  52   5.400   6.843  10.839
  310    HD1  TYR  52           HD1      TYR  52   5.718   5.072   8.980
  311    HD2  TYR  52           HD2      TYR  52   7.318   9.083   8.502
  312    HE1  TYR  52           HE1      TYR  52   7.160   4.307   7.096
  313    HE2  TYR  52           HE2      TYR  52   8.732   8.283   6.635
  314    HH   TYR  52           HH       TYR  52   9.623   5.416   6.077
  315    H    ILE  53           H        ILE  53   1.489   7.031  10.955
  316    HA   ILE  53           HA       ILE  53   2.178   8.934  13.094
  317    HB   ILE  53           HB       ILE  53   0.727  10.067  11.476
  318   HG12  ILE  53          1HG1      ILE  53  -0.912   9.389  13.967
  319   HG13  ILE  53          2HG1      ILE  53   0.478  10.471  13.951
  320   HG21  ILE  53          1HG2      ILE  53  -1.477   9.293  10.839
  321   HG22  ILE  53          2HG2      ILE  53  -1.401   7.919  11.946
  322   HG23  ILE  53          3HG2      ILE  53  -0.356   7.975  10.520
  323   HD11  ILE  53          3HD1      ILE  53  -2.129  10.873  12.401
  324   HD12  ILE  53          1HD1      ILE  53  -0.703  11.924  12.265
  325   HD13  ILE  53          2HD1      ILE  53  -1.561  11.779  13.808
  326    H    ASP  54           H        ASP  54   2.017   7.995  15.035
  327    HA   ASP  54           HA       ASP  54   0.733   5.451  15.377
  328    HB2  ASP  54           1HB      ASP  54   2.639   5.689  16.708
  329    HB3  ASP  54           2HB      ASP  54   2.207   7.322  17.209
  330    H    THR  55           H        THR  55  -1.376   6.397  14.617
  331    HA   THR  55           HA       THR  55  -2.834   8.165  16.048
  332    HB   THR  55           HB       THR  55  -4.845   7.377  14.950
  333    HG1  THR  55           HG1      THR  55  -3.972   5.232  13.685
  334   HG21  THR  55          3HG2      THR  55  -3.134   6.607  12.754
  335   HG22  THR  55          1HG2      THR  55  -2.413   7.946  13.645
  336   HG23  THR  55          2HG2      THR  55  -4.040   8.103  12.980
  337    H    ASN  56           H        ASN  56  -2.698   4.732  16.737
  338    HA   ASN  56           HA       ASN  56  -4.672   5.177  18.748
  339    HB2  ASN  56           1HB      ASN  56  -3.122   2.631  18.282
  340    HB3  ASN  56           2HB      ASN  56  -4.717   2.816  19.007
  341   HD21  ASN  56          2HD2      ASN  56  -5.359   4.911  16.826
  342   HD22  ASN  56          1HD2      ASN  56  -5.723   3.970  15.461
  343    H    ASN  57           H        ASN  57  -1.674   5.924  18.790
  344    HA   ASN  57           HA       ASN  57  -0.096   6.367  20.415
  345    HB2  ASN  57           1HB      ASN  57  -2.444   7.333  21.209
  346    HB3  ASN  57           2HB      ASN  57  -2.181   6.210  22.543
  347   HD21  ASN  57          2HD2      ASN  57   0.245   8.137  20.712
  348   HD22  ASN  57          1HD2      ASN  57   0.819   8.978  22.070
  349    H    ASP  58           H        ASP  58   0.213   3.708  19.859
  350    HA   ASP  58           HA       ASP  58   0.550   2.718  22.596
  351    HB2  ASP  58           1HB      ASP  58   0.481   0.386  21.703
  352    HB3  ASP  58           2HB      ASP  58  -1.047   1.247  21.530
  353    H    GLY  59           H        GLY  59   2.365   4.055  20.405
  354    HA2  GLY  59           1HA      GLY  59   4.668   4.078  20.431
  355    HA3  GLY  59           2HA      GLY  59   4.733   2.620  21.416
  356    H    ALA  60           H        ALA  60   2.823   2.132  18.767
  357    HA   ALA  60           HA       ALA  60   5.056   1.389  17.130
  358    HB1  ALA  60           3HB      ALA  60   3.562  -0.567  18.426
  359    HB2  ALA  60           1HB      ALA  60   4.671  -0.823  17.077
  360    HB3  ALA  60           2HB      ALA  60   2.948  -0.586  16.772
  361    H    TYR  61           H        TYR  61   4.479   0.979  14.813
  362    HA   TYR  61           HA       TYR  61   2.119   2.604  13.852
  363    HB2  TYR  61           1HB      TYR  61   4.613   1.674  12.408
  364    HB3  TYR  61           2HB      TYR  61   3.358   2.736  11.769
  365    HD1  TYR  61           HD2      TYR  61   2.776   4.590  13.891
  366    HD2  TYR  61           HD1      TYR  61   6.563   2.917  12.746
  367    HE1  TYR  61           HE2      TYR  61   3.937   6.551  14.868
  368    HE2  TYR  61           HE1      TYR  61   7.723   4.877  13.725
  369    HH   TYR  61           HH       TYR  61   6.884   6.679  15.766
  370    H    GLU  62           H        GLU  62   0.444   1.161  13.459
  371    HA   GLU  62           HA       GLU  62   1.096  -1.298  12.000
  372    HB2  GLU  62           1HB      GLU  62   0.237  -2.830  13.583
  373    HB3  GLU  62           2HB      GLU  62   1.246  -1.731  14.526
  374    HG2  GLU  62           1HG      GLU  62  -1.755  -1.877  14.369
  375    HG3  GLU  62           2HG      GLU  62  -0.721  -1.817  15.796
  376    H    GLY  63           H        GLY  63  -0.881  -2.599  11.524
  377    HA2  GLY  63           1HA      GLY  63  -2.745  -2.665  10.244
  378    HA3  GLY  63           2HA      GLY  63  -3.471  -2.078  11.737
  379    H    ASP  64           H        ASP  64  -4.840  -0.490  11.427
  380    HA   ASP  64           HA       ASP  64  -5.151   0.737   8.916
  381    HB2  ASP  64           1HB      ASP  64  -7.010   0.625  10.430
  382    HB3  ASP  64           2HB      ASP  64  -6.154   1.578  11.640
  383    H    GLU  65           H        GLU  65  -2.857   1.454  11.301
  384    HA   GLU  65           HA       GLU  65  -2.532   4.273  10.726
  385    HB2  GLU  65           1HB      GLU  65  -1.136   2.186  12.287
  386    HB3  GLU  65           2HB      GLU  65  -0.215   3.602  11.771
  387    HG2  GLU  65           1HG      GLU  65  -1.112   4.503  13.690
  388    HG3  GLU  65           2HG      GLU  65  -2.395   4.916  12.617
  389    H    LEU  66           H        LEU  66  -1.856   1.304   8.986
  390    HA   LEU  66           HA       LEU  66   0.649   1.914   7.897
  391    HB2  LEU  66           1HB      LEU  66  -1.365  -0.215   7.274
  392    HB3  LEU  66           2HB      LEU  66  -0.141   0.062   6.060
  393    HG   LEU  66           HG       LEU  66   1.677  -0.365   7.772
  394   HD11  LEU  66          1HD1      LEU  66   0.952  -1.430   9.988
  395   HD12  LEU  66          2HD1      LEU  66  -0.491  -0.491   9.752
  396   HD13  LEU  66          3HD1      LEU  66   1.033   0.319   9.859
  397   HD21  LEU  66          3HD2      LEU  66   0.850  -2.358   6.536
  398   HD22  LEU  66          1HD2      LEU  66  -0.282  -2.705   7.856
  399   HD23  LEU  66          2HD2      LEU  66   1.469  -2.762   8.130
  400    H    SER  67           H        SER  67  -2.469   2.942   6.044
  401    HA   SER  67           HA       SER  67  -0.927   3.568   3.575
  402    HB2  SER  67           1HB      SER  67  -3.197   2.723   3.387
  403    HB3  SER  67           2HB      SER  67  -3.844   4.011   4.372
  404    HG   SER  67           HG       SER  67  -4.213   4.671   2.343
  405    H    GLY  68           H        GLY  68  -1.301   5.864   2.285
  406    HA2  GLY  68           1HA      GLY  68  -1.713   8.388   2.772
  407    HA3  GLY  68           2HA      GLY  68  -0.700   8.155   4.172
  408    H    SER  69           H        SER  69  -0.592   7.623   0.638
  409    HA   SER  69           HA       SER  69   1.915   9.064   0.341
  410    HB2  SER  69           1HB      SER  69   3.091   7.015  -0.732
  411    HB3  SER  69           2HB      SER  69   2.770   6.788   0.990
  412    HG   SER  69           HG       SER  69   0.965   6.008  -1.022
  413    H    GLN  70           H        GLN  70   2.645   9.047  -1.974
  414    HA   GLN  70           HA       GLN  70   0.649   9.905  -3.848
  415    HB2  GLN  70           1HB      GLN  70   3.535   8.920  -4.303
  416    HB3  GLN  70           2HB      GLN  70   2.543   9.696  -5.552
  417    HG2  GLN  70           1HG      GLN  70   2.454  11.809  -4.208
  418    HG3  GLN  70           2HG      GLN  70   3.380  11.047  -2.912
  419   HE21  GLN  70          2HE2      GLN  70   4.701  13.170  -3.625
  420   HE22  GLN  70          1HE2      GLN  70   5.938  12.899  -4.754
  421    H    SER  71           H        SER  71  -0.417   7.557  -2.993
  422    HA   SER  71           HA       SER  71   0.288   5.151  -3.984
  423    HB2  SER  71           1HB      SER  71  -2.013   4.443  -3.467
  424    HB3  SER  71           2HB      SER  71  -1.448   5.544  -2.236
  425    HG   SER  71           HG       SER  71  -3.263   5.941  -4.345
  426    H    ALA  72           H        ALA  72  -1.422   7.601  -5.839
  427    HA   ALA  72           HA       ALA  72  -2.722   5.990  -7.731
  428    HB1  ALA  72           3HB      ALA  72  -1.324   8.712  -8.188
  429    HB2  ALA  72           1HB      ALA  72  -2.986   8.482  -7.645
  430    HB3  ALA  72           2HB      ALA  72  -2.523   8.007  -9.281
  431    H    ASN  73           H        ASN  73   0.676   7.198  -7.777
  432    HA   ASN  73           HA       ASN  73   1.415   6.039 -10.250
  433    HB2  ASN  73           1HB      ASN  73   3.005   7.085  -7.864
  434    HB3  ASN  73           2HB      ASN  73   3.824   6.369  -9.263
  435   HD21  ASN  73          2HD2      ASN  73   4.189   9.142  -8.578
  436   HD22  ASN  73          1HD2      ASN  73   3.508  10.092  -9.809
  437    H    LEU  74           H        LEU  74   1.879   4.940  -6.894
  438    HA   LEU  74           HA       LEU  74   3.243   2.552  -7.496
  439    HB2  LEU  74           1HB      LEU  74   3.079   3.572  -5.190
  440    HB3  LEU  74           2HB      LEU  74   1.412   3.084  -5.162
  441    HG   LEU  74           HG       LEU  74   3.162   1.535  -3.938
  442   HD11  LEU  74          1HD1      LEU  74   1.789  -0.282  -4.064
  443   HD12  LEU  74          2HD1      LEU  74   1.543  -0.166  -5.775
  444   HD13  LEU  74          3HD1      LEU  74   0.723   0.902  -4.716
  445   HD21  LEU  74          3HD2      LEU  74   4.529   0.006  -5.152
  446   HD22  LEU  74          1HD2      LEU  74   4.782   1.506  -6.010
  447   HD23  LEU  74          2HD2      LEU  74   3.704   0.257  -6.656
  448    H    LEU  75           H        LEU  75  -0.219   3.237  -7.106
  449    HA   LEU  75           HA       LEU  75  -1.191   0.622  -7.313
  450    HB2  LEU  75           1HB      LEU  75  -2.733   2.379  -6.712
  451    HB3  LEU  75           2HB      LEU  75  -2.375   3.329  -8.122
  452    HG   LEU  75           HG       LEU  75  -3.535   1.532  -9.571
  453   HD11  LEU  75          1HD1      LEU  75  -4.324   0.247  -6.962
  454   HD12  LEU  75          2HD1      LEU  75  -3.331  -0.476  -8.213
  455   HD13  LEU  75          3HD1      LEU  75  -5.021  -0.146  -8.520
  456   HD21  LEU  75          3HD2      LEU  75  -5.798   2.223  -9.174
  457   HD22  LEU  75          1HD2      LEU  75  -4.795   3.601  -8.743
  458   HD23  LEU  75          2HD2      LEU  75  -5.494   2.588  -7.487
  459    H    ALA  76           H        ALA  76  -0.826   3.059  -9.899
  460    HA   ALA  76           HA       ALA  76  -1.579   1.409 -12.035
  461    HB1  ALA  76           3HB      ALA  76  -1.289   3.955 -12.097
  462    HB2  ALA  76           1HB      ALA  76  -0.593   3.117 -13.484
  463    HB3  ALA  76           2HB      ALA  76   0.451   3.695 -12.183
  464    H    GLU  77           H        GLU  77   1.450   1.715 -10.310
  465    HA   GLU  77           HA       GLU  77   3.028   0.284 -12.236
  466    HB2  GLU  77           1HB      GLU  77   4.064   1.928 -10.677
  467    HB3  GLU  77           2HB      GLU  77   3.652   0.897  -9.319
  468    HG2  GLU  77           1HG      GLU  77   5.172  -0.940 -10.200
  469    HG3  GLU  77           2HG      GLU  77   5.567   0.066 -11.598
  470    H    ALA  78           H        ALA  78   1.897  -0.576  -8.956
  471    HA   ALA  78           HA       ALA  78   2.631  -3.254  -8.979
  472    HB1  ALA  78           3HB      ALA  78   0.661  -3.509  -7.302
  473    HB2  ALA  78           1HB      ALA  78   0.341  -1.800  -7.602
  474    HB3  ALA  78           2HB      ALA  78   1.875  -2.309  -6.919
  475    H    LYS  79           H        LYS  79  -0.268  -1.708 -10.280
  476    HA   LYS  79           HA       LYS  79  -1.640  -4.116 -10.933
  477    HB2  LYS  79           1HB      LYS  79  -2.766  -1.872 -10.677
  478    HB3  LYS  79           2HB      LYS  79  -1.958  -1.308 -12.138
  479    HG2  LYS  79           1HG      LYS  79  -3.216  -3.042 -13.515
  480    HG3  LYS  79           2HG      LYS  79  -3.985  -3.663 -12.052
  481    HD2  LYS  79           1HD      LYS  79  -5.151  -1.410 -11.726
  482    HD3  LYS  79           2HD      LYS  79  -4.386  -0.805 -13.197
  483    HE2  LYS  79           1HE      LYS  79  -5.640  -2.527 -14.561
  484    HE3  LYS  79           2HE      LYS  79  -6.389  -3.157 -13.090
  485    HZ1  LYS  79           3HZ      LYS  79  -7.958  -1.702 -13.874
  486    HZ2  LYS  79           1HZ      LYS  79  -6.821  -0.579 -14.443
  487    HZ3  LYS  79           2HZ      LYS  79  -7.121  -0.711 -12.776
  488    H    LYS  80           H        LYS  80   0.686  -2.085 -12.624
  489    HA   LYS  80           HA       LYS  80   0.398  -3.258 -15.191
  490    HB2  LYS  80           1HB      LYS  80   2.714  -1.714 -13.982
  491    HB3  LYS  80           2HB      LYS  80   2.771  -2.327 -15.624
  492    HG2  LYS  80           1HG      LYS  80   0.730  -0.944 -16.207
  493    HG3  LYS  80           2HG      LYS  80   0.643  -0.353 -14.574
  494    HD2  LYS  80           1HD      LYS  80   2.906   0.809 -14.861
  495    HD3  LYS  80           2HD      LYS  80   3.003   0.183 -16.505
  496    HE2  LYS  80           1HE      LYS  80   0.970   1.546 -17.144
  497    HE3  LYS  80           2HE      LYS  80   0.858   2.160 -15.496
  498    HZ1  LYS  80           3HZ      LYS  80   2.870   2.722 -17.561
  499    HZ2  LYS  80           1HZ      LYS  80   3.301   2.860 -15.926
  500    HZ3  LYS  80           2HZ      LYS  80   2.029   3.797 -16.549
  501    H    LEU  81           H        LEU  81   2.367  -4.056 -12.375
  502    HA   LEU  81           HA       LEU  81   3.903  -6.082 -13.711
  503    HB2  LEU  81           1HB      LEU  81   3.556  -5.438 -10.745
  504    HB3  LEU  81           2HB      LEU  81   4.604  -6.734 -11.326
  505    HG   LEU  81           HG       LEU  81   4.941  -3.766 -12.175
  506   HD11  LEU  81          1HD1      LEU  81   6.943  -3.676 -10.688
  507   HD12  LEU  81          2HD1      LEU  81   6.530  -5.262 -10.046
  508   HD13  LEU  81          3HD1      LEU  81   5.437  -3.878  -9.803
  509   HD21  LEU  81          3HD2      LEU  81   6.611  -6.272 -12.794
  510   HD22  LEU  81          1HD2      LEU  81   7.358  -4.674 -12.797
  511   HD23  LEU  81          2HD2      LEU  81   6.038  -5.022 -13.891
  512    H    ASN  82           H        ASN  82   1.515  -6.350 -11.066
  513    HA   ASN  82           HA       ASN  82   1.105  -9.035 -11.007
  514    HB2  ASN  82           1HB      ASN  82  -0.109  -7.590  -9.492
  515    HB3  ASN  82           2HB      ASN  82  -0.996  -6.820 -10.805
  516   HD21  ASN  82          2HD2      ASN  82  -3.043  -7.712 -11.180
  517   HD22  ASN  82          1HD2      ASN  82  -3.549  -9.257 -10.709
  518    H    ASP  83           H        ASP  83   0.196  -6.853 -13.555
  519    HA   ASP  83           HA       ASP  83  -1.483  -8.848 -14.874
  520    HB2  ASP  83           1HB      ASP  83  -0.766  -5.961 -15.576
  521    HB3  ASP  83           2HB      ASP  83  -1.728  -6.981 -16.639
  522    H    ALA  84           H        ALA  84   1.670  -7.309 -15.212
  523    HA   ALA  84           HA       ALA  84   2.245  -8.562 -17.747
  524    HB1  ALA  84           3HB      ALA  84   4.128  -7.113 -15.835
  525    HB2  ALA  84           1HB      ALA  84   3.285  -6.378 -17.194
  526    HB3  ALA  84           2HB      ALA  84   4.531  -7.593 -17.479
  527    H    GLN  85           H        GLN  85   2.695  -9.312 -14.376
  528    HA   GLN  85           HA       GLN  85   4.410 -11.607 -15.062
  529    HB2  GLN  85           1HB      GLN  85   3.789 -10.273 -12.353
  530    HB3  GLN  85           2HB      GLN  85   4.846 -11.678 -12.528
  531    HG2  GLN  85           1HG      GLN  85   5.390  -8.905 -13.806
  532    HG3  GLN  85           2HG      GLN  85   6.162  -9.517 -12.344
  533   HE21  GLN  85          2HE2      GLN  85   6.934  -9.015 -15.483
  534   HE22  GLN  85          1HE2      GLN  85   7.987 -10.316 -15.759
  535    H    ALA  86           H        ALA  86   1.451 -11.382 -15.514
  536    HA   ALA  86           HA       ALA  86   0.463 -13.468 -13.687
  537    HB1  ALA  86           3HB      ALA  86  -0.799 -11.238 -15.087
  538    HB2  ALA  86           1HB      ALA  86  -1.426 -12.172 -13.748
  539    HB3  ALA  86           2HB      ALA  86  -1.665 -12.707 -15.415
  540    HA   PRO  87           HA       PRO  87   0.665 -16.622 -16.878
  541    HB2  PRO  87           1HB      PRO  87  -1.555 -18.193 -16.576
  542    HB3  PRO  87           2HB      PRO  87  -0.243 -18.167 -15.371
  543    HG2  PRO  87           1HG      PRO  87  -2.900 -16.690 -15.321
  544    HG3  PRO  87           2HG      PRO  87  -2.098 -17.600 -14.017
  545    HD2  PRO  87           1HD      PRO  87  -1.940 -14.883 -14.137
  546    HD3  PRO  87           2HD      PRO  87  -0.590 -15.849 -13.510
  547    H    LYS  88           H        LYS  88  -0.012 -17.199 -19.016
  548    HA   LYS  88           HA       LYS  88  -1.550 -15.178 -20.459
  549    HB2  LYS  88           1HB      LYS  88  -0.165 -17.780 -21.386
  550    HB3  LYS  88           2HB      LYS  88  -0.953 -16.645 -22.494
  551    HG2  LYS  88           1HG      LYS  88   0.658 -14.810 -21.777
  552    HG3  LYS  88           2HG      LYS  88   1.446 -15.935 -20.662
  553    HD2  LYS  88           1HD      LYS  88   2.172 -17.385 -22.636
  554    HD3  LYS  88           2HD      LYS  88   1.380 -16.269 -23.750
  555    HE2  LYS  88           1HE      LYS  88   2.979 -14.432 -23.061
  556    HE3  LYS  88           2HE      LYS  88   3.765 -15.537 -21.927
  557    HZ1  LYS  88           3HZ      LYS  88   4.657 -16.779 -23.625
  558    HZ2  LYS  88           1HZ      LYS  88   4.736 -15.212 -24.269
  559    HZ3  LYS  88           2HZ      LYS  88   3.508 -16.273 -24.771
  Start of MODEL    2
    1    H    GLY  13           1H       GLY  13   2.286  21.149   5.012
    2    HA2  GLY  13           1HA      GLY  13   3.023  22.969   6.696
    3    HA3  GLY  13           2HA      GLY  13   1.370  23.535   6.455
    4    H    VAL  14           H        VAL  14   0.321  20.846   5.888
    5    HA   VAL  14           HA       VAL  14   0.444  19.533   8.578
    6    HB   VAL  14           HB       VAL  14  -2.015  20.110   6.791
    7   HG11  VAL  14          1HG1      VAL  14  -1.839  18.176   9.195
    8   HG12  VAL  14          2HG1      VAL  14  -2.437  17.823   7.571
    9   HG13  VAL  14          3HG1      VAL  14  -3.373  18.856   8.642
   10   HG21  VAL  14          3HG2      VAL  14  -1.367  22.012   8.351
   11   HG22  VAL  14          1HG2      VAL  14  -1.459  20.920   9.740
   12   HG23  VAL  14          2HG2      VAL  14  -2.913  21.318   8.826
   13    H    ASP  15           H        ASP  15   0.876  17.403   8.569
   14    HA   ASP  15           HA       ASP  15   1.574  15.998   6.114
   15    HB2  ASP  15           1HB      ASP  15   2.294  14.148   7.646
   16    HB3  ASP  15           2HB      ASP  15   2.951  15.697   8.167
   17    H    ASN  16           H        ASN  16   0.631  14.067   5.301
   18    HA   ASN  16           HA       ASN  16  -2.303  13.809   5.673
   19    HB2  ASN  16           1HB      ASN  16  -1.315  14.150   3.373
   20    HB3  ASN  16           2HB      ASN  16  -0.446  12.635   3.535
   21   HD21  ASN  16          2HD2      ASN  16  -2.277  12.940   1.399
   22   HD22  ASN  16          1HD2      ASN  16  -3.626  11.953   1.663
   23    H    LYS  17           H        LYS  17  -2.787  12.496   7.347
   24    HA   LYS  17           HA       LYS  17  -1.288  10.332   8.428
   25    HB2  LYS  17           1HB      LYS  17  -4.299  11.037   8.596
   26    HB3  LYS  17           2HB      LYS  17  -3.491   9.863   9.641
   27    HG2  LYS  17           1HG      LYS  17  -1.972  11.653  10.543
   28    HG3  LYS  17           2HG      LYS  17  -2.731  12.844   9.504
   29    HD2  LYS  17           1HD      LYS  17  -4.951  12.497  10.726
   30    HD3  LYS  17           2HD      LYS  17  -4.175  11.319  11.786
   31    HE2  LYS  17           1HE      LYS  17  -2.642  13.150  12.662
   32    HE3  LYS  17           2HE      LYS  17  -3.406  14.301  11.599
   33    HZ1  LYS  17           3HZ      LYS  17  -5.440  14.059  12.742
   34    HZ2  LYS  17           1HZ      LYS  17  -4.231  14.301  13.905
   35    HZ3  LYS  17           2HZ      LYS  17  -4.864  12.744  13.653
   36    H    PHE  18           H        PHE  18  -4.129  10.205   6.182
   37    HA   PHE  18           HA       PHE  18  -3.320   7.854   4.779
   38    HB2  PHE  18           1HB      PHE  18  -5.078   6.231   5.676
   39    HB3  PHE  18           2HB      PHE  18  -3.977   6.614   6.971
   40    HD1  PHE  18           HD2      PHE  18  -4.805   8.105   8.873
   41    HD2  PHE  18           HD1      PHE  18  -7.518   6.849   5.722
   42    HE1  PHE  18           HE2      PHE  18  -6.729   8.896  10.205
   43    HE2  PHE  18           HE1      PHE  18  -9.429   7.646   7.082
   44    HZ   PHE  18           HZ       PHE  18  -9.043   8.670   9.317
   45    H    ASN  19           H        ASN  19  -4.340   9.232   2.609
   46    HA   ASN  19           HA       ASN  19  -6.878  10.131   3.728
   47    HB2  ASN  19           1HB      ASN  19  -7.000  11.540   1.646
   48    HB3  ASN  19           2HB      ASN  19  -5.476  11.735   2.475
   49   HD21  ASN  19          2HD2      ASN  19  -4.860  12.532   0.131
   50   HD22  ASN  19          1HD2      ASN  19  -4.302  11.346  -0.948
   51    H    LYS  20           H        LYS  20  -8.327  10.185   1.274
   52    HA   LYS  20           HA       LYS  20  -9.347   7.470   1.294
   53    HB2  LYS  20           1HB      LYS  20 -11.205   8.410  -0.099
   54    HB3  LYS  20           2HB      LYS  20 -10.942   9.371   1.356
   55    HG2  LYS  20           1HG      LYS  20  -9.604  11.074  -0.056
   56    HG3  LYS  20           2HG      LYS  20  -9.971  10.127  -1.497
   57    HD2  LYS  20           1HD      LYS  20 -12.440  10.555  -1.186
   58    HD3  LYS  20           2HD      LYS  20 -12.103  11.500   0.266
   59    HE2  LYS  20           1HE      LYS  20 -10.819  13.185  -1.130
   60    HE3  LYS  20           2HE      LYS  20 -11.162  12.240  -2.586
   61    HZ1  LYS  20           3HZ      LYS  20 -12.875  14.004  -1.076
   62    HZ2  LYS  20           1HZ      LYS  20 -13.609  12.542  -1.522
   63    HZ3  LYS  20           2HZ      LYS  20 -12.938  13.552  -2.712
   64    H    GLU  21           H        GLU  21  -8.006   9.706  -1.137
   65    HA   GLU  21           HA       GLU  21  -8.093   8.074  -3.369
   66    HB2  GLU  21           1HB      GLU  21  -7.393  10.491  -3.389
   67    HB3  GLU  21           2HB      GLU  21  -5.866  10.054  -2.622
   68    HG2  GLU  21           1HG      GLU  21  -5.220   8.673  -4.663
   69    HG3  GLU  21           2HG      GLU  21  -6.759   9.057  -5.426
   70    H    GLN  22           H        GLN  22  -5.966   7.922  -0.605
   71    HA   GLN  22           HA       GLN  22  -4.109   6.082  -1.852
   72    HB2  GLN  22           1HB      GLN  22  -3.022   7.340  -0.162
   73    HB3  GLN  22           2HB      GLN  22  -4.450   7.411   0.859
   74    HG2  GLN  22           1HG      GLN  22  -2.853   6.024   1.987
   75    HG3  GLN  22           2HG      GLN  22  -4.093   4.948   1.452
   76   HE21  GLN  22          2HE2      GLN  22  -3.368   3.134   0.419
   77   HE22  GLN  22          1HE2      GLN  22  -1.837   2.941  -0.260
   78    H    GLN  23           H        GLN  23  -6.380   5.842   0.899
   79    HA   GLN  23           HA       GLN  23  -6.228   3.144   1.399
   80    HB2  GLN  23           1HB      GLN  23  -7.654   4.741   2.752
   81    HB3  GLN  23           2HB      GLN  23  -8.826   4.788   1.436
   82    HG2  GLN  23           1HG      GLN  23  -9.356   2.333   1.745
   83    HG3  GLN  23           2HG      GLN  23  -8.068   2.180   2.943
   84   HE21  GLN  23          2HE2      GLN  23 -10.716   1.407   3.619
   85   HE22  GLN  23          1HE2      GLN  23 -11.343   2.509   4.749
   86    H    ASN  24           H        ASN  24  -8.081   4.782  -1.131
   87    HA   ASN  24           HA       ASN  24  -9.545   2.576  -2.067
   88    HB2  ASN  24           1HB      ASN  24  -8.586   5.154  -3.394
   89    HB3  ASN  24           2HB      ASN  24  -9.530   3.969  -4.296
   90   HD21  ASN  24          2HD2      ASN  24 -10.562   6.598  -3.819
   91   HD22  ASN  24          1HD2      ASN  24 -11.893   6.478  -2.773
   92    H    ALA  25           H        ALA  25  -6.376   3.837  -3.088
   93    HA   ALA  25           HA       ALA  25  -5.926   1.821  -5.052
   94    HB1  ALA  25           3HB      ALA  25  -4.626   3.771  -5.376
   95    HB2  ALA  25           1HB      ALA  25  -3.441   2.733  -4.582
   96    HB3  ALA  25           2HB      ALA  25  -4.312   3.947  -3.667
   97    H    PHE  26           H        PHE  26  -5.163   2.128  -1.626
   98    HA   PHE  26           HA       PHE  26  -3.347   0.021  -1.351
   99    HB2  PHE  26           1HB      PHE  26  -3.870   1.539   0.580
  100    HB3  PHE  26           2HB      PHE  26  -5.495   0.948   0.628
  101    HD1  PHE  26           HD2      PHE  26  -1.912  -0.247   1.032
  102    HD2  PHE  26           HD1      PHE  26  -6.075  -1.001   2.021
  103    HE1  PHE  26           HE2      PHE  26  -1.294  -2.059   2.579
  104    HE2  PHE  26           HE1      PHE  26  -5.394  -2.818   3.554
  105    HZ   PHE  26           HZ       PHE  26  -2.982  -3.360   3.829
  106    H    TYR  27           H        TYR  27  -6.876   0.014  -1.462
  107    HA   TYR  27           HA       TYR  27  -7.186  -2.741  -0.776
  108    HB2  TYR  27           1HB      TYR  27  -8.998  -0.579  -1.804
  109    HB3  TYR  27           2HB      TYR  27  -9.519  -2.229  -2.077
  110    HD1  TYR  27           HD1      TYR  27  -8.227   0.014   0.768
  111    HD2  TYR  27           HD2      TYR  27 -10.726  -3.366  -0.305
  112    HE1  TYR  27           HE1      TYR  27  -9.068  -0.150   3.106
  113    HE2  TYR  27           HE2      TYR  27 -11.533  -3.486   2.031
  114    HH   TYR  27           HH       TYR  27 -10.062  -1.735   4.595
  115    H    GLU  28           H        GLU  28  -7.069  -0.966  -3.850
  116    HA   GLU  28           HA       GLU  28  -7.643  -3.050  -5.602
  117    HB2  GLU  28           1HB      GLU  28  -7.462  -0.601  -6.193
  118    HB3  GLU  28           2HB      GLU  28  -5.733  -0.810  -6.120
  119    HG2  GLU  28           1HG      GLU  28  -6.408  -1.053  -8.516
  120    HG3  GLU  28           2HG      GLU  28  -5.885  -2.638  -7.979
  121    H    ILE  29           H        ILE  29  -4.527  -2.091  -4.193
  122    HA   ILE  29           HA       ILE  29  -2.963  -4.021  -5.562
  123    HB   ILE  29           HB       ILE  29  -2.502  -2.452  -2.950
  124   HG12  ILE  29          1HG1      ILE  29  -1.233  -1.984  -5.727
  125   HG13  ILE  29          2HG1      ILE  29  -2.652  -1.128  -5.205
  126   HG21  ILE  29          1HG2      ILE  29  -0.439  -4.211  -4.462
  127   HG22  ILE  29          2HG2      ILE  29  -0.995  -4.458  -2.805
  128   HG23  ILE  29          3HG2      ILE  29  -0.006  -3.070  -3.194
  129   HD11  ILE  29          3HD1      ILE  29  -1.469   0.239  -3.783
  130   HD12  ILE  29          1HD1      ILE  29  -0.192  -0.100  -4.936
  131   HD13  ILE  29          2HD1      ILE  29  -0.233  -0.961  -3.410
  132    H    LEU  30           H        LEU  30  -4.936  -4.137  -2.685
  133    HA   LEU  30           HA       LEU  30  -3.851  -6.655  -1.761
  134    HB2  LEU  30           1HB      LEU  30  -4.785  -4.896  -0.185
  135    HB3  LEU  30           2HB      LEU  30  -6.366  -5.145  -0.893
  136    HG   LEU  30           HG       LEU  30  -6.433  -7.532  -0.010
  137   HD11  LEU  30          1HD1      LEU  30  -4.199  -8.318   0.081
  138   HD12  LEU  30          2HD1      LEU  30  -4.620  -8.152   1.771
  139   HD13  LEU  30          3HD1      LEU  30  -3.611  -6.931   0.997
  140   HD21  LEU  30          3HD2      LEU  30  -5.822  -5.506   2.221
  141   HD22  LEU  30          1HD2      LEU  30  -6.709  -7.027   2.393
  142   HD23  LEU  30          2HD2      LEU  30  -7.389  -5.728   1.429
  143    H    HIS  31           H        HIS  31  -5.874  -5.781  -4.254
  144    HA   HIS  31           HA       HIS  31  -7.535  -8.199  -4.083
  145    HB2  HIS  31           1HB      HIS  31  -8.561  -5.891  -4.608
  146    HB3  HIS  31           2HB      HIS  31  -7.719  -5.952  -6.147
  147    HD1  HIS  31           HD1      HIS  31  -8.615  -7.594  -7.957
  148    HD2  HIS  31           HD2      HIS  31 -10.801  -7.744  -4.403
  149    HE1  HIS  31           HE1      HIS  31 -10.714  -8.907  -8.465
  150    HE2  HIS  31           HE2      HIS  31 -12.060  -9.009  -6.317
  151    H    LEU  32           H        LEU  32  -4.506  -7.438  -5.277
  152    HA   LEU  32           HA       LEU  32  -4.635  -8.578  -7.919
  153    HB2  LEU  32           1HB      LEU  32  -2.446  -7.836  -6.035
  154    HB3  LEU  32           2HB      LEU  32  -2.039  -8.700  -7.505
  155    HG   LEU  32           HG       LEU  32  -2.738  -6.843  -8.895
  156   HD11  LEU  32          1HD1      LEU  32  -4.354  -5.803  -6.671
  157   HD12  LEU  32          2HD1      LEU  32  -4.825  -6.146  -8.326
  158   HD13  LEU  32          3HD1      LEU  32  -3.843  -4.736  -7.966
  159   HD21  LEU  32          3HD2      LEU  32  -1.397  -4.909  -8.182
  160   HD22  LEU  32          1HD2      LEU  32  -0.564  -6.366  -7.681
  161   HD23  LEU  32          2HD2      LEU  32  -1.453  -5.442  -6.510
  162    HA   PRO  33           HA       PRO  33  -4.762 -12.926  -6.204
  163    HB2  PRO  33           1HB      PRO  33  -5.655 -13.817  -8.898
  164    HB3  PRO  33           2HB      PRO  33  -6.497 -13.929  -7.338
  165    HG2  PRO  33           1HG      PRO  33  -7.369 -12.241  -9.268
  166    HG3  PRO  33           2HG      PRO  33  -7.487 -11.825  -7.539
  167    HD2  PRO  33           1HD      PRO  33  -5.328 -10.927  -9.529
  168    HD3  PRO  33           2HD      PRO  33  -6.294  -9.957  -8.403
  169    H    ASN  34           H        ASN  34  -3.456 -14.854  -6.569
  170    HA   ASN  34           HA       ASN  34  -1.487 -15.946  -7.050
  171    HB2  ASN  34           1HB      ASN  34  -2.141 -14.869  -9.885
  172    HB3  ASN  34           2HB      ASN  34  -0.842 -16.007  -9.579
  173   HD21  ASN  34          2HD2      ASN  34  -3.046 -16.669 -11.285
  174   HD22  ASN  34          1HD2      ASN  34  -3.933 -17.917 -10.553
  175    H    LEU  35           H        LEU  35  -1.270 -13.446  -5.861
  176    HA   LEU  35           HA       LEU  35   1.066 -12.117  -7.076
  177    HB2  LEU  35           1HB      LEU  35  -0.918 -10.723  -6.400
  178    HB3  LEU  35           2HB      LEU  35  -0.679 -11.209  -4.731
  179    HG   LEU  35           HG       LEU  35   1.602 -10.039  -4.753
  180   HD11  LEU  35          1HD1      LEU  35   2.015  -8.372  -6.722
  181   HD12  LEU  35          2HD1      LEU  35   0.936  -9.406  -7.653
  182   HD13  LEU  35          3HD1      LEU  35   2.423 -10.063  -6.962
  183   HD21  LEU  35          3HD2      LEU  35   0.819  -7.838  -4.452
  184   HD22  LEU  35          1HD2      LEU  35  -0.628  -8.768  -4.139
  185   HD23  LEU  35          2HD2      LEU  35  -0.369  -7.972  -5.674
  186    H    ASN  36           H        ASN  36   3.031 -12.306  -6.320
  187    HA   ASN  36           HA       ASN  36   3.741 -14.028  -4.164
  188    HB2  ASN  36           1HB      ASN  36   5.191 -13.353  -6.318
  189    HB3  ASN  36           2HB      ASN  36   5.622 -11.935  -5.398
  190   HD21  ASN  36          2HD2      ASN  36   7.926 -12.632  -5.286
  191   HD22  ASN  36          1HD2      ASN  36   8.403 -13.937  -4.311
  192    H    GLU  37           H        GLU  37   4.276 -13.480  -2.256
  193    HA   GLU  37           HA       GLU  37   3.141 -11.388  -0.735
  194    HB2  GLU  37           1HB      GLU  37   3.620 -13.689   0.162
  195    HB3  GLU  37           2HB      GLU  37   5.353 -13.376   0.053
  196    HG2  GLU  37           1HG      GLU  37   5.125 -11.514   1.783
  197    HG3  GLU  37           2HG      GLU  37   3.389 -11.798   1.871
  198    H    GLU  38           H        GLU  38   6.500 -12.021  -1.729
  199    HA   GLU  38           HA       GLU  38   7.742  -9.888  -0.440
  200    HB2  GLU  38           1HB      GLU  38   8.412 -11.235  -3.117
  201    HB3  GLU  38           2HB      GLU  38   9.474 -10.059  -2.352
  202    HG2  GLU  38           1HG      GLU  38  10.396 -12.130  -1.599
  203    HG3  GLU  38           2HG      GLU  38   9.412 -11.665  -0.225
  204    H    GLN  39           H        GLN  39   6.118  -9.989  -3.593
  205    HA   GLN  39           HA       GLN  39   6.728  -7.296  -4.302
  206    HB2  GLN  39           1HB      GLN  39   4.563  -9.184  -5.351
  207    HB3  GLN  39           2HB      GLN  39   4.914  -7.618  -6.054
  208    HG2  GLN  39           1HG      GLN  39   6.932  -9.947  -5.873
  209    HG3  GLN  39           2HG      GLN  39   6.060  -9.481  -7.328
  210   HE21  GLN  39          2HE2      GLN  39   9.086  -9.275  -6.101
  211   HE22  GLN  39          1HE2      GLN  39   9.576  -7.772  -6.722
  212    H    ARG  40           H        ARG  40   3.745  -8.830  -3.080
  213    HA   ARG  40           HA       ARG  40   2.099  -6.639  -2.892
  214    HB2  ARG  40           1HB      ARG  40   1.452  -9.051  -2.323
  215    HB3  ARG  40           2HB      ARG  40   2.361  -8.918  -0.845
  216    HG2  ARG  40           1HG      ARG  40   0.831  -7.190   0.011
  217    HG3  ARG  40           2HG      ARG  40  -0.106  -7.160  -1.474
  218    HD2  ARG  40           1HD      ARG  40   0.150  -9.598   0.415
  219    HD3  ARG  40           2HD      ARG  40  -1.232  -8.489   0.386
  220    HE   ARG  40           HE       ARG  40  -0.844  -9.419  -2.249
  221   HH11  ARG  40          1HH2      ARG  40  -1.772 -10.740   0.847
  222   HH12  ARG  40          2HH2      ARG  40  -2.753 -11.988   0.155
  223   HH21  ARG  40          1HH1      ARG  40  -2.124 -11.054  -3.120
  224   HH22  ARG  40          2HH1      ARG  40  -2.950 -12.166  -2.079
  225    H    ASN  41           H        ASN  41   4.350  -7.778  -0.366
  226    HA   ASN  41           HA       ASN  41   3.911  -5.751   1.495
  227    HB2  ASN  41           1HB      ASN  41   6.369  -7.466   0.902
  228    HB3  ASN  41           2HB      ASN  41   6.344  -6.320   2.243
  229   HD21  ASN  41          2HD2      ASN  41   6.607  -9.145   2.708
  230   HD22  ASN  41          1HD2      ASN  41   5.209  -9.687   3.504
  231    H    ALA  42           H        ALA  42   6.738  -5.916  -0.682
  232    HA   ALA  42           HA       ALA  42   7.841  -3.479  -0.363
  233    HB1  ALA  42           3HB      ALA  42   8.587  -3.570  -2.752
  234    HB2  ALA  42           1HB      ALA  42   7.356  -4.795  -3.091
  235    HB3  ALA  42           2HB      ALA  42   8.689  -5.166  -2.003
  236    H    PHE  43           H        PHE  43   5.064  -4.118  -2.506
  237    HA   PHE  43           HA       PHE  43   4.683  -1.387  -3.226
  238    HB2  PHE  43           1HB      PHE  43   2.816  -3.766  -3.475
  239    HB3  PHE  43           2HB      PHE  43   2.416  -2.164  -4.078
  240    HD1  PHE  43           HD2      PHE  43   4.714  -1.082  -5.494
  241    HD2  PHE  43           HD1      PHE  43   3.544  -5.258  -5.289
  242    HE1  PHE  43           HE2      PHE  43   5.946  -1.533  -7.559
  243    HE2  PHE  43           HE1      PHE  43   4.780  -5.643  -7.389
  244    HZ   PHE  43           HZ       PHE  43   5.971  -3.798  -8.531
  245    H    ILE  44           H        ILE  44   3.101  -3.523  -0.861
  246    HA   ILE  44           HA       ILE  44   1.205  -1.675   0.084
  247    HB   ILE  44           HB       ILE  44   2.369  -4.192   1.235
  248   HG12  ILE  44          1HG1      ILE  44  -0.458  -3.397   0.348
  249   HG13  ILE  44          2HG1      ILE  44   0.567  -4.623  -0.356
  250   HG21  ILE  44          1HG2      ILE  44   0.840  -4.033   3.293
  251   HG22  ILE  44          2HG2      ILE  44   0.725  -2.319   2.967
  252   HG23  ILE  44          3HG2      ILE  44   2.282  -3.038   3.331
  253   HD11  ILE  44          3HD1      ILE  44  -1.120  -5.793   0.889
  254   HD12  ILE  44          1HD1      ILE  44  -0.969  -4.728   2.270
  255   HD13  ILE  44          2HD1      ILE  44   0.304  -5.902   1.931
  256    H    GLN  45           H        GLN  45   4.557  -2.285   1.021
  257    HA   GLN  45           HA       GLN  45   4.617  -0.649   3.320
  258    HB2  GLN  45           1HB      GLN  45   6.843  -1.501   1.403
  259    HB3  GLN  45           2HB      GLN  45   7.166  -0.575   2.869
  260    HG2  GLN  45           1HG      GLN  45   6.267  -2.454   4.282
  261    HG3  GLN  45           2HG      GLN  45   5.837  -3.373   2.850
  262   HE21  GLN  45          2HE2      GLN  45   7.414  -4.908   4.268
  263   HE22  GLN  45          1HE2      GLN  45   9.054  -4.845   3.835
  264    H    SER  46           H        SER  46   5.656   0.056  -0.024
  265    HA   SER  46           HA       SER  46   6.406   2.695   0.276
  266    HB2  SER  46           1HB      SER  46   5.925   2.912  -2.141
  267    HB3  SER  46           2HB      SER  46   6.789   1.426  -1.772
  268    HG   SER  46           HG       SER  46   4.900   0.292  -1.933
  269    H    LEU  47           H        LEU  47   3.172   1.334   0.060
  270    HA   LEU  47           HA       LEU  47   1.787   3.797  -0.288
  271    HB2  LEU  47           1HB      LEU  47   1.017   0.994   0.621
  272    HB3  LEU  47           2HB      LEU  47  -0.173   2.265   0.618
  273    HG   LEU  47           HG       LEU  47  -0.041   0.774  -1.522
  274   HD11  LEU  47          1HD1      LEU  47  -0.236   2.819  -3.113
  275   HD12  LEU  47          2HD1      LEU  47  -0.048   3.778  -1.667
  276   HD13  LEU  47          3HD1      LEU  47  -1.383   2.653  -1.809
  277   HD21  LEU  47          3HD2      LEU  47   2.529   0.968  -1.607
  278   HD22  LEU  47          1HD2      LEU  47   2.296   2.500  -2.373
  279   HD23  LEU  47          2HD2      LEU  47   1.690   1.021  -3.098
  280    H    LYS  48           H        LYS  48   3.461   2.492   2.341
  281    HA   LYS  48           HA       LYS  48   1.891   4.053   4.292
  282    HB2  LYS  48           1HB      LYS  48   2.227   1.664   4.890
  283    HB3  LYS  48           2HB      LYS  48   3.952   1.768   4.643
  284    HG2  LYS  48           1HG      LYS  48   4.126   3.377   6.624
  285    HG3  LYS  48           2HG      LYS  48   2.386   3.247   6.858
  286    HD2  LYS  48           1HD      LYS  48   2.691   0.781   7.401
  287    HD3  LYS  48           2HD      LYS  48   4.402   0.899   7.094
  288    HE2  LYS  48           1HE      LYS  48   3.948   0.969   9.559
  289    HE3  LYS  48           2HE      LYS  48   4.638   2.505   9.036
  290    HZ1  LYS  48           3HZ      LYS  48   1.860   1.872   9.790
  291    HZ2  LYS  48           1HZ      LYS  48   2.193   3.198   8.791
  292    HZ3  LYS  48           2HZ      LYS  48   2.869   3.123  10.336
  293    H    ASP  49           H        ASP  49   5.135   3.640   2.915
  294    HA   ASP  49           HA       ASP  49   6.640   5.061   4.793
  295    HB2  ASP  49           1HB      ASP  49   7.183   4.440   1.861
  296    HB3  ASP  49           2HB      ASP  49   8.405   5.199   2.867
  297    H    ASP  50           H        ASP  50   4.479   6.663   2.739
  298    HA   ASP  50           HA       ASP  50   5.891   9.026   1.969
  299    HB2  ASP  50           1HB      ASP  50   2.936   8.462   2.520
  300    HB3  ASP  50           2HB      ASP  50   3.491  10.001   1.867
  301    H    SER  51           H        SER  51   4.007   8.452   5.036
  302    HA   SER  51           HA       SER  51   5.566  10.410   6.568
  303    HB2  SER  51           1HB      SER  51   3.489  11.709   7.358
  304    HB3  SER  51           2HB      SER  51   3.905  12.007   5.667
  305    HG   SER  51           HG       SER  51   2.090  11.118   5.099
  306    H    TYR  52           H        TYR  52   5.012   9.967   9.176
  307    HA   TYR  52           HA       TYR  52   3.909   7.157   9.464
  308    HB2  TYR  52           1HB      TYR  52   6.225   8.626  10.787
  309    HB3  TYR  52           2HB      TYR  52   5.763   6.986  11.219
  310    HD1  TYR  52           HD1      TYR  52   5.974   5.091   9.411
  311    HD2  TYR  52           HD2      TYR  52   7.521   9.100   8.692
  312    HE1  TYR  52           HE1      TYR  52   7.372   4.253   7.522
  313    HE2  TYR  52           HE2      TYR  52   8.895   8.215   6.827
  314    HH   TYR  52           HH       TYR  52   8.913   6.321   5.285
  315    H    ILE  53           H        ILE  53   1.699   6.998  11.251
  316    HA   ILE  53           HA       ILE  53   2.511   8.787  13.443
  317    HB   ILE  53           HB       ILE  53   1.058  10.033  11.913
  318   HG12  ILE  53          1HG1      ILE  53  -0.536   9.310  14.421
  319   HG13  ILE  53          2HG1      ILE  53   0.891  10.345  14.408
  320   HG21  ILE  53          1HG2      ILE  53  -1.188   9.362  11.309
  321   HG22  ILE  53          2HG2      ILE  53  -1.130   7.942  12.359
  322   HG23  ILE  53          3HG2      ILE  53  -0.124   8.021  10.907
  323   HD11  ILE  53          3HD1      ILE  53  -1.742  10.898  12.952
  324   HD12  ILE  53          1HD1      ILE  53  -0.284  11.905  12.816
  325   HD13  ILE  53          2HD1      ILE  53  -1.104  11.725  14.376
  326    H    ASP  54           H        ASP  54   2.371   7.776  15.349
  327    HA   ASP  54           HA       ASP  54   1.009   5.265  15.626
  328    HB2  ASP  54           1HB      ASP  54   2.958   5.384  16.910
  329    HB3  ASP  54           2HB      ASP  54   2.596   7.009  17.487
  330    H    THR  55           H        THR  55  -1.085   6.312  14.965
  331    HA   THR  55           HA       THR  55  -2.440   8.069  16.506
  332    HB   THR  55           HB       THR  55  -4.508   7.395  15.436
  333    HG1  THR  55           HG1      THR  55  -3.746   5.275  14.062
  334   HG21  THR  55          3HG2      THR  55  -2.886   6.657  13.163
  335   HG22  THR  55          1HG2      THR  55  -2.094   7.934  14.085
  336   HG23  THR  55          2HG2      THR  55  -3.732   8.172  13.474
  337    H    ASN  56           H        ASN  56  -2.405   4.608  17.055
  338    HA   ASN  56           HA       ASN  56  -4.308   5.037  19.137
  339    HB2  ASN  56           1HB      ASN  56  -2.860   2.461  18.526
  340    HB3  ASN  56           2HB      ASN  56  -4.428   2.670  19.303
  341   HD21  ASN  56          2HD2      ASN  56  -5.056   4.872  17.226
  342   HD22  ASN  56          1HD2      ASN  56  -5.489   4.001  15.836
  343    H    ASN  57           H        ASN  57  -1.285   5.680  19.122
  344    HA   ASN  57           HA       ASN  57   0.351   6.002  20.718
  345    HB2  ASN  57           1HB      ASN  57  -1.940   7.014  21.618
  346    HB3  ASN  57           2HB      ASN  57  -1.679   5.830  22.898
  347   HD21  ASN  57          2HD2      ASN  57   0.761   7.747  21.076
  348   HD22  ASN  57          1HD2      ASN  57   1.401   8.512  22.448
  349    H    ASP  58           H        ASP  58   0.551   3.360  20.048
  350    HA   ASP  58           HA       ASP  58   0.929   2.248  22.733
  351    HB2  ASP  58           1HB      ASP  58   0.753  -0.042  21.750
  352    HB3  ASP  58           2HB      ASP  58  -0.748   0.876  21.656
  353    H    GLY  59           H        GLY  59   2.729   3.612  20.545
  354    HA2  GLY  59           1HA      GLY  59   5.031   3.555  20.506
  355    HA3  GLY  59           2HA      GLY  59   5.071   2.057  21.430
  356    H    ALA  60           H        ALA  60   3.075   1.742  18.819
  357    HA   ALA  60           HA       ALA  60   5.234   0.992  17.091
  358    HB1  ALA  60           3HB      ALA  60   3.709  -0.964  18.351
  359    HB2  ALA  60           1HB      ALA  60   4.771  -1.202  16.961
  360    HB3  ALA  60           2HB      ALA  60   3.050  -0.895  16.716
  361    H    TYR  61           H        TYR  61   4.580   0.696  14.777
  362    HA   TYR  61           HA       TYR  61   2.253   2.437  13.949
  363    HB2  TYR  61           1HB      TYR  61   4.672   1.483  12.399
  364    HB3  TYR  61           2HB      TYR  61   3.439   2.612  11.839
  365    HD1  TYR  61           HD2      TYR  61   2.979   4.397  14.048
  366    HD2  TYR  61           HD1      TYR  61   6.672   2.645  12.729
  367    HE1  TYR  61           HE2      TYR  61   4.234   6.276  15.068
  368    HE2  TYR  61           HE1      TYR  61   7.927   4.524  13.752
  369    HH   TYR  61           HH       TYR  61   7.208   6.268  15.886
  370    H    GLU  62           H        GLU  62   0.518   1.069  13.547
  371    HA   GLU  62           HA       GLU  62   1.044  -1.349  11.974
  372    HB2  GLU  62           1HB      GLU  62   0.176  -2.915  13.519
  373    HB3  GLU  62           2HB      GLU  62   1.247  -1.890  14.476
  374    HG2  GLU  62           1HG      GLU  62  -1.760  -1.928  14.398
  375    HG3  GLU  62           2HG      GLU  62  -0.686  -1.961  15.797
  376    H    GLY  63           H        GLY  63  -0.990  -2.563  11.503
  377    HA2  GLY  63           1HA      GLY  63  -2.890  -2.513  10.276
  378    HA3  GLY  63           2HA      GLY  63  -3.554  -1.963  11.811
  379    H    ASP  64           H        ASP  64  -4.873  -0.319  11.604
  380    HA   ASP  64           HA       ASP  64  -5.211   1.019   9.154
  381    HB2  ASP  64           1HB      ASP  64  -7.030   0.909  10.716
  382    HB3  ASP  64           2HB      ASP  64  -6.109   1.783  11.937
  383    H    GLU  65           H        GLU  65  -2.828   1.562  11.498
  384    HA   GLU  65           HA       GLU  65  -2.421   4.389  11.028
  385    HB2  GLU  65           1HB      GLU  65  -1.057   2.194  12.463
  386    HB3  GLU  65           2HB      GLU  65  -0.101   3.598  11.978
  387    HG2  GLU  65           1HG      GLU  65  -0.913   4.450  13.956
  388    HG3  GLU  65           2HG      GLU  65  -2.210   4.949  12.938
  389    H    LEU  66           H        LEU  66  -1.844   1.441   9.242
  390    HA   LEU  66           HA       LEU  66   0.607   2.161   8.112
  391    HB2  LEU  66           1HB      LEU  66   0.884   0.019   7.593
  392    HB3  LEU  66           2HB      LEU  66  -0.525  -0.263   8.557
  393    HG   LEU  66           HG       LEU  66  -0.582   0.131   5.492
  394   HD11  LEU  66          1HD1      LEU  66   0.643  -1.898   5.841
  395   HD12  LEU  66          2HD1      LEU  66  -0.971  -2.290   5.274
  396   HD13  LEU  66          3HD1      LEU  66  -0.570  -2.512   6.979
  397   HD21  LEU  66          3HD2      LEU  66  -2.840  -1.136   7.091
  398   HD22  LEU  66          1HD2      LEU  66  -2.882  -0.398   5.500
  399   HD23  LEU  66          2HD2      LEU  66  -2.774   0.625   6.916
  400    H    SER  67           H        SER  67  -2.237   3.658   6.763
  401    HA   SER  67           HA       SER  67  -1.536   3.361   3.869
  402    HB2  SER  67           1HB      SER  67  -3.687   4.640   5.451
  403    HB3  SER  67           2HB      SER  67  -3.546   5.150   3.817
  404    HG   SER  67           HG       SER  67  -4.872   3.177   4.594
  405    H    GLY  68           H        GLY  68  -0.946   5.160   2.289
  406    HA2  GLY  68           1HA      GLY  68   0.579   7.455   3.482
  407    HA3  GLY  68           2HA      GLY  68   0.952   6.724   1.945
  408    H    SER  69           H        SER  69   0.705   8.266   0.457
  409    HA   SER  69           HA       SER  69  -1.898   9.626   0.083
  410    HB2  SER  69           1HB      SER  69  -0.895  11.874   0.050
  411    HB3  SER  69           2HB      SER  69  -0.440  11.108   1.563
  412    HG   SER  69           HG       SER  69   1.217  12.194   0.081
  413    H    GLN  70           H        GLN  70   1.491   9.439  -1.090
  414    HA   GLN  70           HA       GLN  70   0.931  10.083  -3.861
  415    HB2  GLN  70           1HB      GLN  70   3.398   8.744  -2.573
  416    HB3  GLN  70           2HB      GLN  70   3.360   9.397  -4.209
  417    HG2  GLN  70           1HG      GLN  70   3.035  11.071  -1.640
  418    HG3  GLN  70           2HG      GLN  70   4.499  10.964  -2.597
  419   HE21  GLN  70          2HE2      GLN  70   2.089  13.097  -2.041
  420   HE22  GLN  70          1HE2      GLN  70   1.972  13.842  -3.562
  421    H    SER  71           H        SER  71  -0.655   7.888  -2.836
  422    HA   SER  71           HA       SER  71   0.222   5.366  -3.562
  423    HB2  SER  71           1HB      SER  71  -2.161   4.736  -3.340
  424    HB3  SER  71           2HB      SER  71  -1.601   5.728  -2.038
  425    HG   SER  71           HG       SER  71  -2.600   7.465  -2.902
  426    H    ALA  72           H        ALA  72  -1.367   7.768  -5.616
  427    HA   ALA  72           HA       ALA  72  -2.520   6.125  -7.521
  428    HB1  ALA  72           3HB      ALA  72  -2.787   8.619  -7.496
  429    HB2  ALA  72           1HB      ALA  72  -2.300   8.091  -9.110
  430    HB3  ALA  72           2HB      ALA  72  -1.120   8.838  -8.024
  431    H    ASN  73           H        ASN  73   0.861   7.268  -7.462
  432    HA   ASN  73           HA       ASN  73   1.650   6.143  -9.935
  433    HB2  ASN  73           1HB      ASN  73   3.194   7.109  -7.483
  434    HB3  ASN  73           2HB      ASN  73   4.032   6.421  -8.880
  435   HD21  ASN  73          2HD2      ASN  73   4.424   9.166  -8.116
  436   HD22  ASN  73          1HD2      ASN  73   3.783  10.160  -9.333
  437    H    LEU  74           H        LEU  74   2.002   4.975  -6.588
  438    HA   LEU  74           HA       LEU  74   3.343   2.576  -7.197
  439    HB2  LEU  74           1HB      LEU  74   1.667   3.464  -4.851
  440    HB3  LEU  74           2HB      LEU  74   2.256   1.818  -4.986
  441    HG   LEU  74           HG       LEU  74   3.812   3.311  -3.593
  442   HD11  LEU  74          1HD1      LEU  74   5.956   2.555  -4.555
  443   HD12  LEU  74          2HD1      LEU  74   5.191   2.208  -6.085
  444   HD13  LEU  74          3HD1      LEU  74   4.756   1.288  -4.663
  445   HD21  LEU  74          3HD2      LEU  74   3.445   5.421  -5.017
  446   HD22  LEU  74          1HD2      LEU  74   4.660   4.773  -6.120
  447   HD23  LEU  74          2HD2      LEU  74   5.070   5.115  -4.438
  448    H    LEU  75           H        LEU  75  -0.117   3.311  -6.891
  449    HA   LEU  75           HA       LEU  75  -1.125   0.717  -7.174
  450    HB2  LEU  75           1HB      LEU  75  -2.656   2.490  -6.578
  451    HB3  LEU  75           2HB      LEU  75  -2.242   3.459  -7.959
  452    HG   LEU  75           HG       LEU  75  -3.393   1.733  -9.482
  453   HD11  LEU  75          1HD1      LEU  75  -3.221  -0.328  -8.241
  454   HD12  LEU  75          2HD1      LEU  75  -4.882   0.072  -8.473
  455   HD13  LEU  75          3HD1      LEU  75  -4.158   0.335  -6.899
  456   HD21  LEU  75          3HD2      LEU  75  -5.630   2.465  -9.145
  457   HD22  LEU  75          1HD2      LEU  75  -4.669   3.780  -8.482
  458   HD23  LEU  75          2HD2      LEU  75  -5.443   2.623  -7.410
  459    H    ALA  76           H        ALA  76  -0.648   3.195  -9.702
  460    HA   ALA  76           HA       ALA  76  -1.368   1.598 -11.889
  461    HB1  ALA  76           3HB      ALA  76  -1.117   4.085 -12.026
  462    HB2  ALA  76           1HB      ALA  76  -0.149   3.293 -13.277
  463    HB3  ALA  76           2HB      ALA  76   0.626   3.926 -11.818
  464    H    GLU  77           H        GLU  77   1.616   1.821 -10.075
  465    HA   GLU  77           HA       GLU  77   3.224   0.400 -11.984
  466    HB2  GLU  77           1HB      GLU  77   4.224   2.016 -10.338
  467    HB3  GLU  77           2HB      GLU  77   3.798   0.912  -9.039
  468    HG2  GLU  77           1HG      GLU  77   5.344  -0.863  -9.995
  469    HG3  GLU  77           2HG      GLU  77   5.732   0.201 -11.343
  470    H    ALA  78           H        ALA  78   1.988  -0.502  -8.753
  471    HA   ALA  78           HA       ALA  78   2.679  -3.191  -8.806
  472    HB1  ALA  78           3HB      ALA  78   0.196  -1.976  -7.537
  473    HB2  ALA  78           1HB      ALA  78   1.788  -1.971  -6.790
  474    HB3  ALA  78           2HB      ALA  78   0.943  -3.503  -7.053
  475    H    LYS  79           H        LYS  79  -0.157  -1.573 -10.158
  476    HA   LYS  79           HA       LYS  79  -1.549  -3.945 -10.894
  477    HB2  LYS  79           1HB      LYS  79  -2.644  -1.686 -10.629
  478    HB3  LYS  79           2HB      LYS  79  -1.788  -1.111 -12.057
  479    HG2  LYS  79           1HG      LYS  79  -3.034  -2.809 -13.495
  480    HG3  LYS  79           2HG      LYS  79  -3.866  -3.427 -12.064
  481    HD2  LYS  79           1HD      LYS  79  -4.989  -1.154 -11.743
  482    HD3  LYS  79           2HD      LYS  79  -4.160  -0.550 -13.182
  483    HE2  LYS  79           1HE      LYS  79  -6.373  -1.144 -13.963
  484    HE3  LYS  79           2HE      LYS  79  -5.387  -2.507 -14.485
  485    HZ1  LYS  79           3HZ      LYS  79  -7.405  -2.350 -12.384
  486    HZ2  LYS  79           1HZ      LYS  79  -6.071  -3.350 -12.079
  487    HZ3  LYS  79           2HZ      LYS  79  -7.038  -3.623 -13.449
  488    H    LYS  80           H        LYS  80   0.856  -1.922 -12.481
  489    HA   LYS  80           HA       LYS  80   0.621  -3.043 -15.077
  490    HB2  LYS  80           1HB      LYS  80   1.789  -0.861 -14.648
  491    HB3  LYS  80           2HB      LYS  80   3.096  -1.721 -13.846
  492    HG2  LYS  80           1HG      LYS  80   3.648  -2.933 -16.018
  493    HG3  LYS  80           2HG      LYS  80   2.300  -2.126 -16.823
  494    HD2  LYS  80           1HD      LYS  80   3.463   0.122 -16.474
  495    HD3  LYS  80           2HD      LYS  80   4.806  -0.702 -15.675
  496    HE2  LYS  80           1HE      LYS  80   5.339  -1.931 -17.824
  497    HE3  LYS  80           2HE      LYS  80   3.980  -1.130 -18.623
  498    HZ1  LYS  80           3HZ      LYS  80   5.514   0.368 -19.169
  499    HZ2  LYS  80           1HZ      LYS  80   6.596  -0.111 -17.954
  500    HZ3  LYS  80           2HZ      LYS  80   5.323   0.951 -17.585
  501    H    LEU  81           H        LEU  81   2.497  -3.925 -12.223
  502    HA   LEU  81           HA       LEU  81   4.037  -5.952 -13.554
  503    HB2  LEU  81           1HB      LEU  81   4.846  -4.778 -11.469
  504    HB3  LEU  81           2HB      LEU  81   3.611  -5.620 -10.544
  505    HG   LEU  81           HG       LEU  81   4.656  -7.883 -11.305
  506   HD11  LEU  81          1HD1      LEU  81   5.838  -7.343 -13.347
  507   HD12  LEU  81          2HD1      LEU  81   7.058  -7.823 -12.194
  508   HD13  LEU  81          3HD1      LEU  81   6.825  -6.112 -12.559
  509   HD21  LEU  81          3HD2      LEU  81   6.409  -6.018  -9.652
  510   HD22  LEU  81          1HD2      LEU  81   6.754  -7.733  -9.859
  511   HD23  LEU  81          2HD2      LEU  81   5.262  -7.234  -9.095
  512    H    ASN  82           H        ASN  82   1.572  -6.229 -10.982
  513    HA   ASN  82           HA       ASN  82   1.117  -8.907 -10.985
  514    HB2  ASN  82           1HB      ASN  82  -0.086  -7.419  -9.515
  515    HB3  ASN  82           2HB      ASN  82  -0.986  -6.707 -10.848
  516   HD21  ASN  82          2HD2      ASN  82  -3.070  -7.608 -11.030
  517   HD22  ASN  82          1HD2      ASN  82  -3.519  -9.179 -10.570
  518    H    ASP  83           H        ASP  83   0.315  -6.663 -13.516
  519    HA   ASP  83           HA       ASP  83  -1.358  -8.605 -14.918
  520    HB2  ASP  83           1HB      ASP  83  -0.579  -5.714 -15.544
  521    HB3  ASP  83           2HB      ASP  83  -1.528  -6.701 -16.654
  522    H    ALA  84           H        ALA  84   1.827  -7.113 -15.139
  523    HA   ALA  84           HA       ALA  84   2.453  -8.329 -17.681
  524    HB1  ALA  84           3HB      ALA  84   3.508  -6.167 -17.048
  525    HB2  ALA  84           1HB      ALA  84   4.736  -7.398 -17.344
  526    HB3  ALA  84           2HB      ALA  84   4.313  -6.951 -15.696
  527    H    GLN  85           H        GLN  85   2.796  -9.148 -14.313
  528    HA   GLN  85           HA       GLN  85   4.492 -11.459 -14.995
  529    HB2  GLN  85           1HB      GLN  85   5.249  -9.870 -13.158
  530    HB3  GLN  85           2HB      GLN  85   3.796 -10.257 -12.254
  531    HG2  GLN  85           1HG      GLN  85   5.711 -11.556 -11.318
  532    HG3  GLN  85           2HG      GLN  85   4.597 -12.692 -12.045
  533   HE21  GLN  85          2HE2      GLN  85   6.055 -14.339 -12.771
  534   HE22  GLN  85          1HE2      GLN  85   7.366 -14.054 -13.809
  535    H    ALA  86           H        ALA  86   1.551 -11.176 -15.524
  536    HA   ALA  86           HA       ALA  86   0.478 -13.278 -13.765
  537    HB1  ALA  86           3HB      ALA  86  -1.620 -12.505 -15.459
  538    HB2  ALA  86           1HB      ALA  86  -0.718 -11.029 -15.222
  539    HB3  ALA  86           2HB      ALA  86  -1.353 -11.888 -13.835
  540    HA   PRO  87           HA       PRO  87   0.736 -16.473 -16.881
  541    HB2  PRO  87           1HB      PRO  87  -2.179 -17.205 -16.606
  542    HB3  PRO  87           2HB      PRO  87  -0.737 -18.208 -16.323
  543    HG2  PRO  87           1HG      PRO  87  -2.195 -17.319 -14.245
  544    HG3  PRO  87           2HG      PRO  87  -0.419 -17.377 -14.143
  545    HD2  PRO  87           1HD      PRO  87  -2.185 -14.945 -14.663
  546    HD3  PRO  87           2HD      PRO  87  -0.773 -15.116 -13.589
  547    H    LYS  88           H        LYS  88   0.457 -16.798 -19.124
  548    HA   LYS  88           HA       LYS  88   0.037 -16.224 -21.308
  549    HB2  LYS  88           1HB      LYS  88  -2.824 -15.896 -20.169
  550    HB3  LYS  88           2HB      LYS  88  -2.460 -15.878 -21.891
  551    HG2  LYS  88           1HG      LYS  88  -1.560 -18.240 -21.745
  552    HG3  LYS  88           2HG      LYS  88  -1.876 -18.260 -20.004
  553    HD2  LYS  88           1HD      LYS  88  -4.377 -18.014 -20.450
  554    HD3  LYS  88           2HD      LYS  88  -4.069 -17.982 -22.187
  555    HE2  LYS  88           1HE      LYS  88  -3.179 -20.347 -22.078
  556    HE3  LYS  88           2HE      LYS  88  -3.465 -20.378 -20.334
  557    HZ1  LYS  88           3HZ      LYS  88  -5.595 -19.865 -22.338
  558    HZ2  LYS  88           1HZ      LYS  88  -5.787 -20.174 -20.681
  559    HZ3  LYS  88           2HZ      LYS  88  -5.234 -21.403 -21.714