Advertisement
Guest User

Residuo

a guest
Dec 17th, 2017
91
0
Never
Not a member of Pastebin yet? Sign Up, it unlocks many cool features!
text 2.46 KB | None | 0 0
  1. [ UNK ]
  2. [ atoms ]
  3. N N -0.31000 0
  4. H H 0.31000 0
  5. CA CH1 0.00000 1
  6. CB CH2 0.00000 1
  7. CG CH2 0.00000 2
  8. CD CH2 0.00000 2
  9. CE CH2 -0.24000 3
  10. NZ N -0.31000 3
  11. HZ2 H 0.31000 3
  12.  
  13.  
  14. C C 0.450 4
  15. O O -0.450 4
  16. C1 C 0.450 5
  17. Oa O -0.450 5
  18. C2 CH2 0.00000 6
  19. C3 CH2 0.00000 6
  20. C4 CH2 0.00000 6
  21. C5 CH2 0.00000 6
  22. C6 CH2 -0.10000 7
  23. SG S -0.40000 8
  24.  
  25. [ bonds ]
  26. N H gb_2
  27. N CA gb_21
  28. CA CB gb_27
  29. CA C gb_27
  30. CB CG gb_27
  31. CG CD gb_27
  32. CD CE gb_27
  33. CE NZ gb_21
  34. NZ HZ2 gb_2
  35.  
  36.  
  37.  
  38. C O gb_5
  39. C +N gb_10
  40. NZ C1 gb_21
  41. Oa C1 gb_5
  42. C2 C1 gb_27
  43. C3 C2 gb_27
  44. C4 C3 gb_27
  45. C5 C4 gb_27
  46. C6 C5 gb_27
  47. C6 SG gb_32
  48.  
  49. [ angles ]
  50. ; ai aj ak gromos type
  51. -C N H ga_32
  52. -C N CA ga_31
  53. H N CA ga_18
  54. N CA CB ga_13
  55. N CA C ga_13
  56. CB CA C ga_13
  57. CA CB CG ga_15
  58. CB CG CD ga_15
  59. CG CD CE ga_15
  60. CD CE NZ ga_15
  61. C1 NZ HZ2 ga_32
  62. C1 NZ CE ga_31
  63. HZ2 NZ CE ga_18
  64.  
  65.  
  66.  
  67. CA C O ga_30
  68. CA C +N ga_19
  69. O C +N ga_33
  70. Oa C1 NZ ga_33
  71. NZ C1 C2 ga_13
  72. C2 C1 O ga_30
  73. C1 C2 C3 ga_15
  74. C2 C3 C4 ga_15
  75. C3 C4 C5 ga_15
  76. C4 C5 C6 ga_15
  77. C5 C6 SG ga_16
  78.  
  79. [ impropers ]
  80. ; ai aj ak al gromos type
  81. N -C CA H gi_1
  82. CA N C CB gi_2
  83. C CA +N O gi_1
  84. C1 C2 NZ Oa gi_1
  85. NZ C1 CE HZ2 gi_1
  86. [ dihedrals ]
  87. ; ai aj ak al gromos type
  88. -CA -C N CA gd_14
  89. -C N CA C gd_39
  90. N CA CB CG gd_34
  91. N CA C +N gd_40
  92. CA CB CG CD gd_34
  93. CB CG CD CE gd_34
  94. CG CD CE NZ gd_34
  95. CD CE NZ C1 gd_29
Advertisement
Add Comment
Please, Sign In to add comment
Advertisement