forked from colinbenner/ocaml-llvm
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nucleic.ml
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nucleic.ml
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(***********************************************************************)
(* *)
(* Caml Special Light *)
(* *)
(* Xavier Leroy, projet Cristal, INRIA Rocquencourt *)
(* *)
(* Copyright 1995 Institut National de Recherche en Informatique et *)
(* Automatique. Distributed only by permission. *)
(* *)
(***********************************************************************)
(* $Id$ *)
(* Use floating-point arithmetic *)
external (+) : float -> float -> float = "%addfloat"
external (-) : float -> float -> float = "%subfloat"
external ( * ) : float -> float -> float = "%mulfloat"
external (/) : float -> float -> float = "%divfloat"
(* -- MATH UTILITIES --------------------------------------------------------*)
let constant_pi = 3.14159265358979323846
let constant_minus_pi = -3.14159265358979323846
let constant_pi2 = 1.57079632679489661923
let constant_minus_pi2 = -1.57079632679489661923
(* -- POINTS ----------------------------------------------------------------*)
type pt = { x : float; y : float; z : float }
let
pt_sub p1 p2
= { x = p1.x - p2.x; y = p1.y - p2.y; z = p1.z - p2.z }
let
pt_dist p1 p2
= let dx = p1.x - p2.x
and dy = p1.y - p2.y
and dz = p1.z - p2.z
in
sqrt ((dx * dx) + (dy * dy) + (dz * dz))
let
pt_phi p
= let b = atan2 p.x p.z
in
atan2 ((cos b) * p.z + (sin b) * p.x) p.y
let
pt_theta p
= atan2 p.x p.z
(* -- COORDINATE TRANSFORMATIONS --------------------------------------------*)
(*
The notation for the transformations follows "Paul, R.P. (1981) Robot
Manipulators. MIT Press." with the exception that our transformation
matrices don't have the perspective terms and are the transpose of
Paul's one. See also "M\"antyl\"a, M. (1985) An Introduction to
Solid Modeling, Computer Science Press" Appendix A.
The components of a transformation matrix are named like this:
a b c
d e f
g h i
tx ty tz
The components tx, ty, and tz are the translation vector.
*)
type tfo =
{a: float; b: float; c: float;
d: float; e: float; f: float;
g: float; h: float; i: float;
tx: float; ty: float; tz: float}
let tfo_id =
{a=1.0; b=0.0; c=0.0;
d=0.0; e=1.0; f=0.0;
g=0.0; h=0.0; i=1.0;
tx=0.0; ty=0.0; tz=0.0}
(*
The function "tfo-apply" multiplies a transformation matrix, tfo, by a
point vector, p. The result is a new point.
*)
let
tfo_apply t p
= { x = ((p.x * t.a) + (p.y * t.d) + (p.z * t.g) + t.tx);
y = ((p.x * t.b) + (p.y * t.e) + (p.z * t.h) + t.ty);
z = ((p.x * t.c) + (p.y * t.f) + (p.z * t.i) + t.tz) }
(*
The function "tfo-combine" multiplies two transformation matrices A and B.
The result is a new matrix which cumulates the transformations described
by A and B.
*)
let
tfo_combine a b =
(* <HAND_CSE> *)
(* Hand elimination of common subexpressions.
Assumes lots of float registers (32 is perfect, 16 still OK).
Loses on the I386, of course. *)
let a_a = a.a and a_b = a.b and a_c = a.c and a_d = a.d
and a_e = a.e and a_f = a.f and a_g = a.g and a_h = a.h
and a_i = a.i and a_tx = a.tx and a_ty = a.ty and a_tz = a.tz
and b_a = b.a and b_b = b.b and b_c = b.c and b_d = b.d
and b_e = b.e and b_f = b.f and b_g = b.g and b_h = b.h
and b_i = b.i and b_tx = b.tx and b_ty = b.ty and b_tz = b.tz in
{ a = ((a_a * b_a) + (a_b * b_d) + (a_c * b_g));
b = ((a_a * b_b) + (a_b * b_e) + (a_c * b_h));
c = ((a_a * b_c) + (a_b * b_f) + (a_c * b_i));
d = ((a_d * b_a) + (a_e * b_d) + (a_f * b_g));
e = ((a_d * b_b) + (a_e * b_e) + (a_f * b_h));
f = ((a_d * b_c) + (a_e * b_f) + (a_f * b_i));
g = ((a_g * b_a) + (a_h * b_d) + (a_i * b_g));
h = ((a_g * b_b) + (a_h * b_e) + (a_i * b_h));
i = ((a_g * b_c) + (a_h * b_f) + (a_i * b_i));
tx = ((a_tx * b_a) + (a_ty * b_d) + (a_tz * b_g) + b_tx);
ty = ((a_tx * b_b) + (a_ty * b_e) + (a_tz * b_h) + b_ty);
tz = ((a_tx * b_c) + (a_ty * b_f) + (a_tz * b_i) + b_tz)
}
(* </HAND_CSE> *)
(* Original without CSE *)
(* <NO_CSE> *) (***
{ a = ((a.a * b.a) + (a.b * b.d) + (a.c * b.g));
b = ((a.a * b.b) + (a.b * b.e) + (a.c * b.h));
c = ((a.a * b.c) + (a.b * b.f) + (a.c * b.i));
d = ((a.d * b.a) + (a.e * b.d) + (a.f * b.g));
e = ((a.d * b.b) + (a.e * b.e) + (a.f * b.h));
f = ((a.d * b.c) + (a.e * b.f) + (a.f * b.i));
g = ((a.g * b.a) + (a.h * b.d) + (a.i * b.g));
h = ((a.g * b.b) + (a.h * b.e) + (a.i * b.h));
i = ((a.g * b.c) + (a.h * b.f) + (a.i * b.i));
tx = ((a.tx * b.a) + (a.ty * b.d) + (a.tz * b.g) + b.tx);
ty = ((a.tx * b.b) + (a.ty * b.e) + (a.tz * b.h) + b.ty);
tz = ((a.tx * b.c) + (a.ty * b.f) + (a.tz * b.i) + b.tz)
}
***) (* </NO_CSE> *)
(*
The function "tfo-inv-ortho" computes the inverse of a homogeneous
transformation matrix.
*)
let
tfo_inv_ortho t =
{ a = t.a; b = t.d; c = t.g;
d = t.b; e = t.e; f = t.h;
g = t.c; h = t.f; i = t.i;
tx = (-.((t.a * t.tx) + (t.b * t.ty) + (t.c * t.tz)));
ty = (-.((t.d * t.tx) + (t.e * t.ty) + (t.f * t.tz)));
tz = (-.((t.g * t.tx) + (t.h * t.ty) + (t.i * t.tz)))
}
(*
Given three points p1, p2, and p3, the function "tfo-align" computes
a transformation matrix such that point p1 gets mapped to (0,0,0), p2 gets
mapped to the Y axis and p3 gets mapped to the YZ plane.
*)
let
tfo_align p1 p2 p3
= let x31 = p3.x - p1.x in
let y31 = p3.y - p1.y in
let z31 = p3.z - p1.z in
let rotpy = pt_sub p2 p1 in
let phi = pt_phi rotpy in
let theta = pt_theta rotpy in
let sinp = sin phi in
let sint = sin theta in
let cosp = cos phi in
let cost = cos theta in
let sinpsint = sinp * sint in
let sinpcost = sinp * cost in
let cospsint = cosp * sint in
let cospcost = cosp * cost in
let rotpz =
{ x = ((cost * x31) - (sint * z31));
y = ((sinpsint * x31) + (cosp * y31) + (sinpcost * z31));
z = ((cospsint * x31) + (-.(sinp * y31)) + (cospcost * z31)) } in
let rho = pt_theta rotpz in
let cosr = cos rho in
let sinr = sin rho in
let x = (-.(p1.x * cost)) + (p1.z * sint) in
let y = ((-.(p1.x * sinpsint)) - (p1.y * cosp)) - (p1.z * sinpcost) in
let z = ((-.(p1.x * cospsint) + (p1.y * sinp))) - (p1.z * cospcost) in
{ a = ((cost * cosr) - (cospsint * sinr));
b = sinpsint;
c = ((cost * sinr) + (cospsint * cosr));
d = (sinp * sinr);
e = cosp;
f = (-.(sinp * cosr));
g = ((-.(sint * cosr)) - (cospcost * sinr));
h = sinpcost;
i = ((-.(sint * sinr) + (cospcost * cosr)));
tx = ((x * cosr) - (z * sinr));
ty = y;
tz = ((x * sinr + (z * cosr)))
}
(* -- NUCLEIC ACID CONFORMATIONS DATA BASE ----------------------------------*)
(*
Numbering of atoms follows the paper:
IUPAC-IUB Joint Commission on Biochemical Nomenclature (JCBN)
(1983) Abbreviations and Symbols for the Description of
Conformations of Polynucleotide Chains. Eur. J. Biochem 131,
9-15.
*)
(* Define remaining atoms for each nucleotide type. *)
type nuc_specific =
A of pt*pt*pt*pt*pt*pt*pt*pt
| C of pt*pt*pt*pt*pt*pt
| G of pt*pt*pt*pt*pt*pt*pt*pt*pt
| U of pt*pt*pt*pt*pt
(*
A n6 n7 n9 c8 h2 h61 h62 h8
C n4 o2 h41 h42 h5 h6
G n2 n7 n9 c8 o6 h1 h21 h22 h8
U o2 o4 h3 h5 h6
*)
(* Define part common to all 4 nucleotide types. *)
type nuc =
N of tfo*tfo*tfo*tfo*
pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*
pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*pt*
pt*nuc_specific
(*
dgf_base_tfo ; defines the standard position for wc and wc_dumas
p_o3'_275_tfo ; defines the standard position for the connect function
p_o3'_180_tfo
p_o3'_60_tfo
p o1p o2p o5' c5' h5' h5'' c4' h4' o4' c1' h1' c2' h2'' o2' h2' c3'
h3' o3' n1 n3 c2 c4 c5 c6
*)
let is_A = function
N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,A(_,_,_,_,_,_,_,_)) -> true
| _ -> false
let is_C = function
N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,C(_,_,_,_,_,_)) -> true
| _ -> false
let is_G = function
N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,G(_,_,_,_,_,_,_,_,_)) -> true
| _ -> false
let
nuc_C1'
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= c1'
let
nuc_C2
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= c2
let
nuc_C3'
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= c3'
let
nuc_C4
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= c4
let
nuc_C4'
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= c4'
let
nuc_N1
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= n1
let
nuc_O3'
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= o3'
let
nuc_P
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= p
let
nuc_dgf_base_tfo
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= dgf_base_tfo
let
nuc_p_o3'_180_tfo
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= p_o3'_180_tfo
let
nuc_p_o3'_275_tfo
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= p_o3'_275_tfo
let
nuc_p_o3'_60_tfo
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,_))
= p_o3'_60_tfo
let
rA_N9
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,A (n6,n7,n9,c8,h2,h61,h62,h8)))
= n9
let
rG_N9
(N(dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,p_o3'_60_tfo,
p,o1p,o2p,o5',c5',h5',h5'',c4',h4',o4',c1',h1',c2',h2'',o2',h2',
c3',h3',o3',n1,n3,c2,c4,c5,c6,G (n2,n7,n9,c8,o6,h1,h21,h22,h8)))
= n9
(* Database of nucleotide conformations: *)
let rA
= N(
{ a= -0.0018; b= -0.8207; c=0.5714; (* dgf_base_tfo *)
d=0.2679; e= -0.5509; f= -0.7904;
g=0.9634; h=0.1517; i=0.2209;
tx=0.0073; ty=8.4030; tz=0.6232 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 5.4550; y = 8.2120; z = -2.8810 }, (* C5' *)
{ x = 5.4546; y = 8.8508; z = -1.9978 }, (* H5' *)
{ x = 5.7588; y = 8.6625; z = -3.8259 }, (* H5'' *)
{ x = 6.4970; y = 7.1480; z = -2.5980 }, (* C4' *)
{ x = 7.4896; y = 7.5919; z = -2.5214 }, (* H4' *)
{ x = 6.1630; y = 6.4860; z = -1.3440 }, (* O4' *)
{ x = 6.5400; y = 5.1200; z = -1.4190 }, (* C1' *)
{ x = 7.2763; y = 4.9681; z = -0.6297 }, (* H1' *)
{ x = 7.1940; y = 4.8830; z = -2.7770 }, (* C2' *)
{ x = 6.8667; y = 3.9183; z = -3.1647 }, (* H2'' *)
{ x = 8.5860; y = 5.0910; z = -2.6140 }, (* O2' *)
{ x = 8.9510; y = 4.7626; z = -1.7890 }, (* H2' *)
{ x = 6.5720; y = 6.0040; z = -3.6090 }, (* C3' *)
{ x = 5.5636; y = 5.7066; z = -3.8966 }, (* H3' *)
{ x = 7.3801; y = 6.3562; z = -4.7350 }, (* O3' *)
{ x = 4.7150; y = 0.4910; z = -0.1360 }, (* N1 *)
{ x = 6.3490; y = 2.1730; z = -0.6020 }, (* N3 *)
{ x = 5.9530; y = 0.9650; z = -0.2670 }, (* C2 *)
{ x = 5.2900; y = 2.9790; z = -0.8260 }, (* C4 *)
{ x = 3.9720; y = 2.6390; z = -0.7330 }, (* C5 *)
{ x = 3.6770; y = 1.3160; z = -0.3660 }, (* C6 *)
(A (
{ x = 2.4280; y = 0.8450; z = -0.2360 }, (* N6 *)
{ x = 3.1660; y = 3.7290; z = -1.0360 }, (* N7 *)
{ x = 5.3170; y = 4.2990; z = -1.1930 }, (* N9 *)
{ x = 4.0100; y = 4.6780; z = -1.2990 }, (* C8 *)
{ x = 6.6890; y = 0.1903; z = -0.0518 }, (* H2 *)
{ x = 1.6470; y = 1.4460; z = -0.4040 }, (* H61 *)
{ x = 2.2780; y = -0.1080; z = -0.0280 }, (* H62 *)
{ x = 3.4421; y = 5.5744; z = -1.5482 }) (* H8 *)
)
)
let rA01
= N(
{ a= -0.0043; b= -0.8175; c=0.5759; (* dgf_base_tfo *)
d=0.2617; e= -0.5567; f= -0.7884;
g=0.9651; h=0.1473; i=0.2164;
tx=0.0359; ty=8.3929; tz=0.5532 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 5.4352; y = 8.2183; z = -2.7757 }, (* C5' *)
{ x = 5.3830; y = 8.7883; z = -1.8481 }, (* H5' *)
{ x = 5.7729; y = 8.7436; z = -3.6691 }, (* H5'' *)
{ x = 6.4830; y = 7.1518; z = -2.5252 }, (* C4' *)
{ x = 7.4749; y = 7.5972; z = -2.4482 }, (* H4' *)
{ x = 6.1626; y = 6.4620; z = -1.2827 }, (* O4' *)
{ x = 6.5431; y = 5.0992; z = -1.3905 }, (* C1' *)
{ x = 7.2871; y = 4.9328; z = -0.6114 }, (* H1' *)
{ x = 7.1852; y = 4.8935; z = -2.7592 }, (* C2' *)
{ x = 6.8573; y = 3.9363; z = -3.1645 }, (* H2'' *)
{ x = 8.5780; y = 5.1025; z = -2.6046 }, (* O2' *)
{ x = 8.9516; y = 4.7577; z = -1.7902 }, (* H2' *)
{ x = 6.5522; y = 6.0300; z = -3.5612 }, (* C3' *)
{ x = 5.5420; y = 5.7356; z = -3.8459 }, (* H3' *)
{ x = 7.3487; y = 6.4089; z = -4.6867 }, (* O3' *)
{ x = 4.7442; y = 0.4514; z = -0.1390 }, (* N1 *)
{ x = 6.3687; y = 2.1459; z = -0.5926 }, (* N3 *)
{ x = 5.9795; y = 0.9335; z = -0.2657 }, (* C2 *)
{ x = 5.3052; y = 2.9471; z = -0.8125 }, (* C4 *)
{ x = 3.9891; y = 2.5987; z = -0.7230 }, (* C5 *)
{ x = 3.7016; y = 1.2717; z = -0.3647 }, (* C6 *)
(A (
{ x = 2.4553; y = 0.7925; z = -0.2390 }, (* N6 *)
{ x = 3.1770; y = 3.6859; z = -1.0198 }, (* N7 *)
{ x = 5.3247; y = 4.2695; z = -1.1710 }, (* N9 *)
{ x = 4.0156; y = 4.6415; z = -1.2759 }, (* C8 *)
{ x = 6.7198; y = 0.1618; z = -0.0547 }, (* H2 *)
{ x = 1.6709; y = 1.3900; z = -0.4039 }, (* H61 *)
{ x = 2.3107; y = -0.1627; z = -0.0373 }, (* H62 *)
{ x = 3.4426; y = 5.5361; z = -1.5199 }) (* H8 *)
)
)
let rA02
= N(
{ a=0.5566; b=0.0449; c=0.8296; (* dgf_base_tfo *)
d=0.5125; e=0.7673; f= -0.3854;
g= -0.6538; h=0.6397; i=0.4041;
tx= -9.1161; ty= -3.7679; tz= -2.9968 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 4.5778; y = 6.6594; z = -4.0364 }, (* C5' *)
{ x = 4.9220; y = 7.1963; z = -4.9204 }, (* H5' *)
{ x = 3.7996; y = 5.9091; z = -4.1764 }, (* H5'' *)
{ x = 5.7873; y = 5.8869; z = -3.5482 }, (* C4' *)
{ x = 6.0405; y = 5.0875; z = -4.2446 }, (* H4' *)
{ x = 6.9135; y = 6.8036; z = -3.4310 }, (* O4' *)
{ x = 7.7293; y = 6.4084; z = -2.3392 }, (* C1' *)
{ x = 8.7078; y = 6.1815; z = -2.7624 }, (* H1' *)
{ x = 7.1305; y = 5.1418; z = -1.7347 }, (* C2' *)
{ x = 7.2040; y = 5.1982; z = -0.6486 }, (* H2'' *)
{ x = 7.7417; y = 4.0392; z = -2.3813 }, (* O2' *)
{ x = 8.6785; y = 4.1443; z = -2.5630 }, (* H2' *)
{ x = 5.6666; y = 5.2728; z = -2.1536 }, (* C3' *)
{ x = 5.1747; y = 5.9805; z = -1.4863 }, (* H3' *)
{ x = 4.9997; y = 4.0086; z = -2.1973 }, (* O3' *)
{ x = 10.3245; y = 8.5459; z = 1.5467 }, (* N1 *)
{ x = 9.8051; y = 6.9432; z = -0.1497 }, (* N3 *)
{ x = 10.5175; y = 7.4328; z = 0.8408 }, (* C2 *)
{ x = 8.7523; y = 7.7422; z = -0.4228 }, (* C4 *)
{ x = 8.4257; y = 8.9060; z = 0.2099 }, (* C5 *)
{ x = 9.2665; y = 9.3242; z = 1.2540 }, (* C6 *)
(A (
{ x = 9.0664; y = 10.4462; z = 1.9610 }, (* N6 *)
{ x = 7.2750; y = 9.4537; z = -0.3428 }, (* N7 *)
{ x = 7.7962; y = 7.5519; z = -1.3859 }, (* N9 *)
{ x = 6.9479; y = 8.6157; z = -1.2771 }, (* C8 *)
{ x = 11.4063; y = 6.9047; z = 1.1859 }, (* H2 *)
{ x = 8.2845; y = 11.0341; z = 1.7552 }, (* H61 *)
{ x = 9.6584; y = 10.6647; z = 2.7198 }, (* H62 *)
{ x = 6.0430; y = 8.9853; z = -1.7594 }) (* H8 *)
)
)
let rA03
= N(
{ a= -0.5021; b=0.0731; c=0.8617; (* dgf_base_tfo *)
d= -0.8112; e=0.3054; f= -0.4986;
g= -0.2996; h= -0.9494; i= -0.0940;
tx=6.4273; ty= -5.1944; tz= -3.7807 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 4.1214; y = 6.7116; z = -1.9049 }, (* C5' *)
{ x = 3.3465; y = 5.9610; z = -2.0607 }, (* H5' *)
{ x = 4.0789; y = 7.2928; z = -0.9837 }, (* H5'' *)
{ x = 5.4170; y = 5.9293; z = -1.8186 }, (* C4' *)
{ x = 5.4506; y = 5.3400; z = -0.9023 }, (* H4' *)
{ x = 5.5067; y = 5.0417; z = -2.9703 }, (* O4' *)
{ x = 6.8650; y = 4.9152; z = -3.3612 }, (* C1' *)
{ x = 7.1090; y = 3.8577; z = -3.2603 }, (* H1' *)
{ x = 7.7152; y = 5.7282; z = -2.3894 }, (* C2' *)
{ x = 8.5029; y = 6.2356; z = -2.9463 }, (* H2'' *)
{ x = 8.1036; y = 4.8568; z = -1.3419 }, (* O2' *)
{ x = 8.3270; y = 3.9651; z = -1.6184 }, (* H2' *)
{ x = 6.7003; y = 6.7565; z = -1.8911 }, (* C3' *)
{ x = 6.5898; y = 7.5329; z = -2.6482 }, (* H3' *)
{ x = 7.0505; y = 7.2878; z = -0.6105 }, (* O3' *)
{ x = 9.6740; y = 4.7656; z = -7.6614 }, (* N1 *)
{ x = 9.0739; y = 4.3013; z = -5.3941 }, (* N3 *)
{ x = 9.8416; y = 4.2192; z = -6.4581 }, (* C2 *)
{ x = 7.9885; y = 5.0632; z = -5.6446 }, (* C4 *)
{ x = 7.6822; y = 5.6856; z = -6.8194 }, (* C5 *)
{ x = 8.5831; y = 5.5215; z = -7.8840 }, (* C6 *)
(A (
{ x = 8.4084; y = 6.0747; z = -9.0933 }, (* N6 *)
{ x = 6.4857; y = 6.3816; z = -6.7035 }, (* N7 *)
{ x = 6.9740; y = 5.3703; z = -4.7760 }, (* N9 *)
{ x = 6.1133; y = 6.1613; z = -5.4808 }, (* C8 *)
{ x = 10.7627; y = 3.6375; z = -6.4220 }, (* H2 *)
{ x = 7.6031; y = 6.6390; z = -9.2733 }, (* H61 *)
{ x = 9.1004; y = 5.9708; z = -9.7893 }, (* H62 *)
{ x = 5.1705; y = 6.6830; z = -5.3167 }) (* H8 *)
)
)
let rA04
= N(
{ a= -0.5426; b= -0.8175; c=0.1929; (* dgf_base_tfo *)
d=0.8304; e= -0.5567; f= -0.0237;
g=0.1267; h=0.1473; i=0.9809;
tx= -0.5075; ty=8.3929; tz=0.2229 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 5.4352; y = 8.2183; z = -2.7757 }, (* C5' *)
{ x = 5.3830; y = 8.7883; z = -1.8481 }, (* H5' *)
{ x = 5.7729; y = 8.7436; z = -3.6691 }, (* H5'' *)
{ x = 6.4830; y = 7.1518; z = -2.5252 }, (* C4' *)
{ x = 7.4749; y = 7.5972; z = -2.4482 }, (* H4' *)
{ x = 6.1626; y = 6.4620; z = -1.2827 }, (* O4' *)
{ x = 6.5431; y = 5.0992; z = -1.3905 }, (* C1' *)
{ x = 7.2871; y = 4.9328; z = -0.6114 }, (* H1' *)
{ x = 7.1852; y = 4.8935; z = -2.7592 }, (* C2' *)
{ x = 6.8573; y = 3.9363; z = -3.1645 }, (* H2'' *)
{ x = 8.5780; y = 5.1025; z = -2.6046 }, (* O2' *)
{ x = 8.9516; y = 4.7577; z = -1.7902 }, (* H2' *)
{ x = 6.5522; y = 6.0300; z = -3.5612 }, (* C3' *)
{ x = 5.5420; y = 5.7356; z = -3.8459 }, (* H3' *)
{ x = 7.3487; y = 6.4089; z = -4.6867 }, (* O3' *)
{ x = 3.6343; y = 2.6680; z = 2.0783 }, (* N1 *)
{ x = 5.4505; y = 3.9805; z = 1.2446 }, (* N3 *)
{ x = 4.7540; y = 3.3816; z = 2.1851 }, (* C2 *)
{ x = 4.8805; y = 3.7951; z = 0.0354 }, (* C4 *)
{ x = 3.7416; y = 3.0925; z = -0.2305 }, (* C5 *)
{ x = 3.0873; y = 2.4980; z = 0.8606 }, (* C6 *)
(A (
{ x = 1.9600; y = 1.7805; z = 0.7462 }, (* N6 *)
{ x = 3.4605; y = 3.1184; z = -1.5906 }, (* N7 *)
{ x = 5.3247; y = 4.2695; z = -1.1710 }, (* N9 *)
{ x = 4.4244; y = 3.8244; z = -2.0953 }, (* C8 *)
{ x = 5.0814; y = 3.4352; z = 3.2234 }, (* H2 *)
{ x = 1.5423; y = 1.6454; z = -0.1520 }, (* H61 *)
{ x = 1.5716; y = 1.3398; z = 1.5392 }, (* H62 *)
{ x = 4.2675; y = 3.8876; z = -3.1721 }) (* H8 *)
)
)
let rA05
= N(
{ a= -0.5891; b=0.0449; c=0.8068; (* dgf_base_tfo *)
d=0.5375; e=0.7673; f=0.3498;
g= -0.6034; h=0.6397; i= -0.4762;
tx= -0.3019; ty= -3.7679; tz= -9.5913 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 4.5778; y = 6.6594; z = -4.0364 }, (* C5' *)
{ x = 4.9220; y = 7.1963; z = -4.9204 }, (* H5' *)
{ x = 3.7996; y = 5.9091; z = -4.1764 }, (* H5'' *)
{ x = 5.7873; y = 5.8869; z = -3.5482 }, (* C4' *)
{ x = 6.0405; y = 5.0875; z = -4.2446 }, (* H4' *)
{ x = 6.9135; y = 6.8036; z = -3.4310 }, (* O4' *)
{ x = 7.7293; y = 6.4084; z = -2.3392 }, (* C1' *)
{ x = 8.7078; y = 6.1815; z = -2.7624 }, (* H1' *)
{ x = 7.1305; y = 5.1418; z = -1.7347 }, (* C2' *)
{ x = 7.2040; y = 5.1982; z = -0.6486 }, (* H2'' *)
{ x = 7.7417; y = 4.0392; z = -2.3813 }, (* O2' *)
{ x = 8.6785; y = 4.1443; z = -2.5630 }, (* H2' *)
{ x = 5.6666; y = 5.2728; z = -2.1536 }, (* C3' *)
{ x = 5.1747; y = 5.9805; z = -1.4863 }, (* H3' *)
{ x = 4.9997; y = 4.0086; z = -2.1973 }, (* O3' *)
{ x = 10.2594; y = 10.6774; z = -1.0056 }, (* N1 *)
{ x = 9.7528; y = 8.7080; z = -2.2631 }, (* N3 *)
{ x = 10.4471; y = 9.7876; z = -1.9791 }, (* C2 *)
{ x = 8.7271; y = 8.5575; z = -1.3991 }, (* C4 *)
{ x = 8.4100; y = 9.3803; z = -0.3580 }, (* C5 *)
{ x = 9.2294; y = 10.5030; z = -0.1574 }, (* C6 *)
(A (
{ x = 9.0349; y = 11.3951; z = 0.8250 }, (* N6 *)
{ x = 7.2891; y = 8.9068; z = 0.3121 }, (* N7 *)
{ x = 7.7962; y = 7.5519; z = -1.3859 }, (* N9 *)
{ x = 6.9702; y = 7.8292; z = -0.3353 }, (* C8 *)
{ x = 11.3132; y = 10.0537; z = -2.5851 }, (* H2 *)
{ x = 8.2741; y = 11.2784; z = 1.4629 }, (* H61 *)
{ x = 9.6733; y = 12.1368; z = 0.9529 }, (* H62 *)
{ x = 6.0888; y = 7.3990; z = 0.1403 }) (* H8 *)
)
)
let rA06
= N(
{ a= -0.9815; b=0.0731; c= -0.1772; (* dgf_base_tfo *)
d=0.1912; e=0.3054; f= -0.9328;
g= -0.0141; h= -0.9494; i= -0.3137;
tx=5.7506; ty= -5.1944; tz=4.7470 },
{ a= -0.8143; b= -0.5091; c= -0.2788; (* P_O3'_275_tfo *)
d= -0.0433; e= -0.4257; f=0.9038;
g= -0.5788; h=0.7480; i=0.3246;
tx=1.5227; ty=6.9114; tz= -7.0765 },
{ a=0.3822; b= -0.7477; c=0.5430; (* P_O3'_180_tfo *)
d=0.4552; e=0.6637; f=0.5935;
g= -0.8042; h=0.0203; i=0.5941;
tx= -6.9472; ty= -4.1186; tz= -5.9108 },
{ a=0.5640; b=0.8007; c= -0.2022; (* P_O3'_60_tfo *)
d= -0.8247; e=0.5587; f= -0.0878;
g=0.0426; h=0.2162; i=0.9754;
tx=6.2694; ty= -7.0540; tz=3.3316 },
{ x = 2.8930; y = 8.5380; z = -3.3280 }, (* P *)
{ x = 1.6980; y = 7.6960; z = -3.5570 }, (* O1P *)
{ x = 3.2260; y = 9.5010; z = -4.4020 }, (* O2P *)
{ x = 4.1590; y = 7.6040; z = -3.0340 }, (* O5' *)
{ x = 4.1214; y = 6.7116; z = -1.9049 }, (* C5' *)
{ x = 3.3465; y = 5.9610; z = -2.0607 }, (* H5' *)
{ x = 4.0789; y = 7.2928; z = -0.9837 }, (* H5'' *)
{ x = 5.4170; y = 5.9293; z = -1.8186 }, (* C4' *)
{ x = 5.4506; y = 5.3400; z = -0.9023 }, (* H4' *)
{ x = 5.5067; y = 5.0417; z = -2.9703 }, (* O4' *)
{ x = 6.8650; y = 4.9152; z = -3.3612 }, (* C1' *)
{ x = 7.1090; y = 3.8577; z = -3.2603 }, (* H1' *)
{ x = 7.7152; y = 5.7282; z = -2.3894 }, (* C2' *)
{ x = 8.5029; y = 6.2356; z = -2.9463 }, (* H2'' *)
{ x = 8.1036; y = 4.8568; z = -1.3419 }, (* O2' *)
{ x = 8.3270; y = 3.9651; z = -1.6184 }, (* H2' *)
{ x = 6.7003; y = 6.7565; z = -1.8911 }, (* C3' *)
{ x = 6.5898; y = 7.5329; z = -2.6482 }, (* H3' *)
{ x = 7.0505; y = 7.2878; z = -0.6105 }, (* O3' *)
{ x = 6.6624; y = 3.5061; z = -8.2986 }, (* N1 *)
{ x = 6.5810; y = 3.2570; z = -5.9221 }, (* N3 *)
{ x = 6.5151; y = 2.8263; z = -7.1625 }, (* C2 *)
{ x = 6.8364; y = 4.5817; z = -5.8882 }, (* C4 *)
{ x = 7.0116; y = 5.4064; z = -6.9609 }, (* C5 *)
{ x = 6.9173; y = 4.8260; z = -8.2361 }, (* C6 *)
(A (
{ x = 7.0668; y = 5.5163; z = -9.3763 }, (* N6 *)
{ x = 7.2573; y = 6.7070; z = -6.5394 }, (* N7 *)
{ x = 6.9740; y = 5.3703; z = -4.7760 }, (* N9 *)
{ x = 7.2238; y = 6.6275; z = -5.2453 }, (* C8 *)
{ x = 6.3146; y = 1.7741; z = -7.3641 }, (* H2 *)
{ x = 7.2568; y = 6.4972; z = -9.3456 }, (* H61 *)
{ x = 7.0437; y = 5.0478; z = -10.2446 }, (* H62 *)
{ x = 7.4108; y = 7.6227; z = -4.8418 }) (* H8 *)
)
)
let rA07
= N(
{ a=0.2379; b=0.1310; c= -0.9624; (* dgf_base_tfo *)
d= -0.5876; e= -0.7696; f= -0.2499;
g= -0.7734; h=0.6249; i= -0.1061;
tx=30.9870; ty= -26.9344; tz=42.6416 },
{ a=0.7529; b=0.1548; c=0.6397; (* P_O3'_275_tfo *)
d=0.2952; e= -0.9481; f= -0.1180;
g=0.5882; h=0.2777; i= -0.7595;
tx= -58.8919; ty= -11.3095; tz=6.0866 },
{ a= -0.0239; b=0.9667; c= -0.2546; (* P_O3'_180_tfo *)
d=0.9731; e= -0.0359; f= -0.2275;
g= -0.2290; h= -0.2532; i= -0.9399;
tx=3.5401; ty= -29.7913; tz=52.2796 },
{ a= -0.8912; b= -0.4531; c=0.0242; (* P_O3'_60_tfo *)
d= -0.1183; e=0.1805; f= -0.9764;
g=0.4380; h= -0.8730; i= -0.2145;
tx=19.9023; ty=54.8054; tz=15.2799 },
{ x = 41.8210; y = 8.3880; z = 43.5890 }, (* P *)
{ x = 42.5400; y = 8.0450; z = 44.8330 }, (* O1P *)
{ x = 42.2470; y = 9.6920; z = 42.9910 }, (* O2P *)
{ x = 40.2550; y = 8.2030; z = 43.7340 }, (* O5' *)
{ x = 39.3505; y = 8.4697; z = 42.6565 }, (* C5' *)
{ x = 39.1377; y = 7.5433; z = 42.1230 }, (* H5' *)
{ x = 39.7203; y = 9.3119; z = 42.0717 }, (* H5'' *)
{ x = 38.0405; y = 8.9195; z = 43.2869 }, (* C4' *)
{ x = 37.3687; y = 9.3036; z = 42.5193 }, (* H4' *)
{ x = 37.4319; y = 7.8146; z = 43.9387 }, (* O4' *)
{ x = 37.1959; y = 8.1354; z = 45.3237 }, (* C1' *)
{ x = 36.1788; y = 8.5202; z = 45.3970 }, (* H1' *)
{ x = 38.1721; y = 9.2328; z = 45.6504 }, (* C2' *)
{ x = 39.1555; y = 8.7939; z = 45.8188 }, (* H2'' *)
{ x = 37.7862; y = 10.0617; z = 46.7013 }, (* O2' *)
{ x = 37.3087; y = 9.6229; z = 47.4092 }, (* H2' *)
{ x = 38.1844; y = 10.0268; z = 44.3367 }, (* C3' *)
{ x = 39.1578; y = 10.5054; z = 44.2289 }, (* H3' *)
{ x = 37.0547; y = 10.9127; z = 44.3441 }, (* O3' *)
{ x = 34.8811; y = 4.2072; z = 47.5784 }, (* N1 *)
{ x = 35.1084; y = 6.1336; z = 46.1818 }, (* N3 *)
{ x = 34.4108; y = 5.1360; z = 46.7207 }, (* C2 *)
{ x = 36.3908; y = 6.1224; z = 46.6053 }, (* C4 *)
{ x = 36.9819; y = 5.2334; z = 47.4697 }, (* C5 *)
{ x = 36.1786; y = 4.1985; z = 48.0035 }, (* C6 *)
(A (
{ x = 36.6103; y = 3.2749; z = 48.8452 }, (* N6 *)
{ x = 38.3236; y = 5.5522; z = 47.6595 }, (* N7 *)
{ x = 37.3887; y = 7.0024; z = 46.2437 }, (* N9 *)
{ x = 38.5055; y = 6.6096; z = 46.9057 }, (* C8 *)
{ x = 33.3553; y = 5.0152; z = 46.4771 }, (* H2 *)
{ x = 37.5730; y = 3.2804; z = 49.1507 }, (* H61 *)
{ x = 35.9775; y = 2.5638; z = 49.1828 }, (* H62 *)
{ x = 39.5461; y = 6.9184; z = 47.0041 }) (* H8 *)
)
)
let rA08
= N(
{ a=0.1084; b= -0.0895; c= -0.9901; (* dgf_base_tfo *)
d=0.9789; e= -0.1638; f=0.1220;
g= -0.1731; h= -0.9824; i=0.0698;
tx= -2.9039; ty=47.2655; tz=33.0094 },
{ a=0.7529; b=0.1548; c=0.6397; (* P_O3'_275_tfo *)
d=0.2952; e= -0.9481; f= -0.1180;
g=0.5882; h=0.2777; i= -0.7595;
tx= -58.8919; ty= -11.3095; tz=6.0866 },
{ a= -0.0239; b=0.9667; c= -0.2546; (* P_O3'_180_tfo *)
d=0.9731; e= -0.0359; f= -0.2275;
g= -0.2290; h= -0.2532; i= -0.9399;
tx=3.5401; ty= -29.7913; tz=52.2796 },
{ a= -0.8912; b= -0.4531; c=0.0242; (* P_O3'_60_tfo *)
d= -0.1183; e=0.1805; f= -0.9764;
g=0.4380; h= -0.8730; i= -0.2145;
tx=19.9023; ty=54.8054; tz=15.2799 },
{ x = 41.8210; y = 8.3880; z = 43.5890 }, (* P *)
{ x = 42.5400; y = 8.0450; z = 44.8330 }, (* O1P *)
{ x = 42.2470; y = 9.6920; z = 42.9910 }, (* O2P *)
{ x = 40.2550; y = 8.2030; z = 43.7340 }, (* O5' *)
{ x = 39.4850; y = 8.9301; z = 44.6977 }, (* C5' *)
{ x = 39.0638; y = 9.8199; z = 44.2296 }, (* H5' *)
{ x = 40.0757; y = 9.0713; z = 45.6029 }, (* H5'' *)
{ x = 38.3102; y = 8.0414; z = 45.0789 }, (* C4' *)
{ x = 37.7842; y = 8.4637; z = 45.9351 }, (* H4' *)
{ x = 37.4200; y = 7.9453; z = 43.9769 }, (* O4' *)
{ x = 37.2249; y = 6.5609; z = 43.6273 }, (* C1' *)
{ x = 36.3360; y = 6.2168; z = 44.1561 }, (* H1' *)
{ x = 38.4347; y = 5.8414; z = 44.1590 }, (* C2' *)
{ x = 39.2688; y = 5.9974; z = 43.4749 }, (* H2'' *)
{ x = 38.2344; y = 4.4907; z = 44.4348 }, (* O2' *)
{ x = 37.6374; y = 4.0386; z = 43.8341 }, (* H2' *)
{ x = 38.6926; y = 6.6079; z = 45.4637 }, (* C3' *)
{ x = 39.7585; y = 6.5640; z = 45.6877 }, (* H3' *)
{ x = 37.8238; y = 6.0705; z = 46.4723 }, (* O3' *)
{ x = 33.9162; y = 6.2598; z = 39.7758 }, (* N1 *)
{ x = 34.6709; y = 6.5759; z = 42.0215 }, (* N3 *)
{ x = 33.7257; y = 6.5186; z = 41.0858 }, (* C2 *)
{ x = 35.8935; y = 6.3324; z = 41.5018 }, (* C4 *)
{ x = 36.2105; y = 6.0601; z = 40.1932 }, (* C5 *)
{ x = 35.1538; y = 6.0151; z = 39.2537 }, (* C6 *)
(A (
{ x = 35.3088; y = 5.7642; z = 37.9649 }, (* N6 *)
{ x = 37.5818; y = 5.8677; z = 40.0507 }, (* N7 *)
{ x = 37.0932; y = 6.3197; z = 42.1810 }, (* N9 *)
{ x = 38.0509; y = 6.0354; z = 41.2635 }, (* C8 *)
{ x = 32.6830; y = 6.6898; z = 41.3532 }, (* H2 *)
{ x = 36.2305; y = 5.5855; z = 37.5925 }, (* H61 *)
{ x = 34.5056; y = 5.7512; z = 37.3528 }, (* H62 *)
{ x = 39.1318; y = 5.8993; z = 41.2285 }) (* H8 *)
)
)
let rA09
= N(
{ a=0.8467; b=0.4166; c= -0.3311; (* dgf_base_tfo *)
d= -0.3962; e=0.9089; f=0.1303;
g=0.3552; h=0.0209; i=0.9346;
tx= -42.7319; ty= -26.6223; tz= -29.8163 },
{ a=0.7529; b=0.1548; c=0.6397; (* P_O3'_275_tfo *)
d=0.2952; e= -0.9481; f= -0.1180;
g=0.5882; h=0.2777; i= -0.7595;
tx= -58.8919; ty= -11.3095; tz=6.0866 },
{ a= -0.0239; b=0.9667; c= -0.2546; (* P_O3'_180_tfo *)
d=0.9731; e= -0.0359; f= -0.2275;
g= -0.2290; h= -0.2532; i= -0.9399;
tx=3.5401; ty= -29.7913; tz=52.2796 },
{ a= -0.8912; b= -0.4531; c=0.0242; (* P_O3'_60_tfo *)
d= -0.1183; e=0.1805; f= -0.9764;
g=0.4380; h= -0.8730; i= -0.2145;
tx=19.9023; ty=54.8054; tz=15.2799 },
{ x = 41.8210; y = 8.3880; z = 43.5890 }, (* P *)
{ x = 42.5400; y = 8.0450; z = 44.8330 }, (* O1P *)
{ x = 42.2470; y = 9.6920; z = 42.9910 }, (* O2P *)
{ x = 40.2550; y = 8.2030; z = 43.7340 }, (* O5' *)
{ x = 39.3505; y = 8.4697; z = 42.6565 }, (* C5' *)
{ x = 39.1377; y = 7.5433; z = 42.1230 }, (* H5' *)
{ x = 39.7203; y = 9.3119; z = 42.0717 }, (* H5'' *)
{ x = 38.0405; y = 8.9195; z = 43.2869 }, (* C4' *)
{ x = 37.6479; y = 8.1347; z = 43.9335 }, (* H4' *)
{ x = 38.2691; y = 10.0933; z = 44.0524 }, (* O4' *)
{ x = 37.3999; y = 11.1488; z = 43.5973 }, (* C1' *)
{ x = 36.5061; y = 11.1221; z = 44.2206 }, (* H1' *)
{ x = 37.0364; y = 10.7838; z = 42.1836 }, (* C2' *)
{ x = 37.8636; y = 11.0489; z = 41.5252 }, (* H2'' *)
{ x = 35.8275; y = 11.3133; z = 41.7379 }, (* O2' *)
{ x = 35.6214; y = 12.1896; z = 42.0714 }, (* H2' *)
{ x = 36.9316; y = 9.2556; z = 42.2837 }, (* C3' *)
{ x = 37.1778; y = 8.8260; z = 41.3127 }, (* H3' *)
{ x = 35.6285; y = 8.9334; z = 42.7926 }, (* O3' *)
{ x = 38.1482; y = 15.2833; z = 46.4641 }, (* N1 *)
{ x = 37.3641; y = 13.0968; z = 45.9007 }, (* N3 *)
{ x = 37.5032; y = 14.1288; z = 46.7300 }, (* C2 *)
{ x = 37.9570; y = 13.3377; z = 44.7113 }, (* C4 *)
{ x = 38.6397; y = 14.4660; z = 44.3267 }, (* C5 *)
{ x = 38.7473; y = 15.5229; z = 45.2609 }, (* C6 *)
(A (
{ x = 39.3720; y = 16.6649; z = 45.0297 }, (* N6 *)
{ x = 39.1079; y = 14.3351; z = 43.0223 }, (* N7 *)
{ x = 38.0132; y = 12.4868; z = 43.6280 }, (* N9 *)
{ x = 38.7058; y = 13.1402; z = 42.6620 }, (* C8 *)
{ x = 37.0731; y = 14.0857; z = 47.7306 }, (* H2 *)
{ x = 39.8113; y = 16.8281; z = 44.1350 }, (* H61 *)
{ x = 39.4100; y = 17.3741; z = 45.7478 }, (* H62 *)
{ x = 39.0412; y = 12.9660; z = 41.6397 }) (* H8 *)
)
)
let rA10
= N(
{ a=0.7063; b=0.6317; c= -0.3196; (* dgf_base_tfo *)
d= -0.0403; e= -0.4149; f= -0.9090;
g= -0.7068; h=0.6549; i= -0.2676;
tx=6.4402; ty= -52.1496; tz=30.8246 },
{ a=0.7529; b=0.1548; c=0.6397; (* P_O3'_275_tfo *)
d=0.2952; e= -0.9481; f= -0.1180;
g=0.5882; h=0.2777; i= -0.7595;
tx= -58.8919; ty= -11.3095; tz=6.0866 },
{ a= -0.0239; b=0.9667; c= -0.2546; (* P_O3'_180_tfo *)
d=0.9731; e= -0.0359; f= -0.2275;
g= -0.2290; h= -0.2532; i= -0.9399;
tx=3.5401; ty= -29.7913; tz=52.2796 },
{ a= -0.8912; b= -0.4531; c=0.0242; (* P_O3'_60_tfo *)
d= -0.1183; e=0.1805; f= -0.9764;
g=0.4380; h= -0.8730; i= -0.2145;
tx=19.9023; ty=54.8054; tz=15.2799 },
{ x = 41.8210; y = 8.3880; z = 43.5890 }, (* P *)
{ x = 42.5400; y = 8.0450; z = 44.8330 }, (* O1P *)
{ x = 42.2470; y = 9.6920; z = 42.9910 }, (* O2P *)
{ x = 40.2550; y = 8.2030; z = 43.7340 }, (* O5' *)
{ x = 39.4850; y = 8.9301; z = 44.6977 }, (* C5' *)
{ x = 39.0638; y = 9.8199; z = 44.2296 }, (* H5' *)
{ x = 40.0757; y = 9.0713; z = 45.6029 }, (* H5'' *)
{ x = 38.3102; y = 8.0414; z = 45.0789 }, (* C4' *)
{ x = 37.7099; y = 7.8166; z = 44.1973 }, (* H4' *)
{ x = 38.8012; y = 6.8321; z = 45.6380 }, (* O4' *)
{ x = 38.2431; y = 6.6413; z = 46.9529 }, (* C1' *)
{ x = 37.3505; y = 6.0262; z = 46.8385 }, (* H1' *)
{ x = 37.8484; y = 8.0156; z = 47.4214 }, (* C2' *)
{ x = 38.7381; y = 8.5406; z = 47.7690 }, (* H2'' *)
{ x = 36.8286; y = 8.0368; z = 48.3701 }, (* O2' *)
{ x = 36.8392; y = 7.3063; z = 48.9929 }, (* H2' *)
{ x = 37.3576; y = 8.6512; z = 46.1132 }, (* C3' *)
{ x = 37.5207; y = 9.7275; z = 46.1671 }, (* H3' *)
{ x = 35.9985; y = 8.2392; z = 45.9032 }, (* O3' *)
{ x = 39.9117; y = 2.2278; z = 48.8527 }, (* N1 *)
{ x = 38.6207; y = 3.6941; z = 47.4757 }, (* N3 *)
{ x = 38.9872; y = 2.4888; z = 47.9057 }, (* C2 *)
{ x = 39.2961; y = 4.6720; z = 48.1174 }, (* C4 *)
{ x = 40.2546; y = 4.5307; z = 49.0912 }, (* C5 *)
{ x = 40.5932; y = 3.2189; z = 49.4985 }, (* C6 *)
(A (
{ x = 41.4938; y = 2.9317; z = 50.4229 }, (* N6 *)
{ x = 40.7195; y = 5.7755; z = 49.5060 }, (* N7 *)
{ x = 39.1730; y = 6.0305; z = 47.9170 }, (* N9 *)
{ x = 40.0413; y = 6.6250; z = 48.7728 }, (* C8 *)
{ x = 38.5257; y = 1.5960; z = 47.4838 }, (* H2 *)
{ x = 41.9907; y = 3.6753; z = 50.8921 }, (* H61 *)
{ x = 41.6848; y = 1.9687; z = 50.6599 }, (* H62 *)
{ x = 40.3571; y = 7.6321; z = 49.0452 }) (* H8 *)
)
)
let rAs = [rA01;rA02;rA03;rA04;rA05;rA06;rA07;rA08;rA09;rA10]
let rC
= N(
{ a= -0.0359; b= -0.8071; c=0.5894; (* dgf_base_tfo *)
d= -0.2669; e=0.5761; f=0.7726;
g= -0.9631; h= -0.1296; i= -0.2361;
tx=0.1584; ty=8.3434; tz=0.5434 },
{ a= -0.8313; b= -0.4738; c= -0.2906; (* P_O3'_275_tfo *)
d=0.0649; e=0.4366; f= -0.8973;
g=0.5521; h= -0.7648; i= -0.3322;
tx=1.6833; ty=6.8060; tz= -7.0011 },
{ a=0.3445; b= -0.7630; c=0.5470; (* P_O3'_180_tfo *)
d= -0.4628; e= -0.6450; f= -0.6082;
g=0.8168; h= -0.0436; i= -0.5753;
tx= -6.8179; ty= -3.9778; tz= -5.9887 },
{ a=0.5855; b=0.7931; c= -0.1682; (* P_O3'_60_tfo *)
d=0.8103; e= -0.5790; f=0.0906;
g= -0.0255; h= -0.1894; i= -0.9816;
tx=6.1203; ty= -7.1051; tz=3.1984 },
{ x = 2.6760; y = -8.4960; z = 3.2880 }, (* P *)
{ x = 1.4950; y = -7.6230; z = 3.4770 }, (* O1P *)
{ x = 2.9490; y = -9.4640; z = 4.3740 }, (* O2P *)
{ x = 3.9730; y = -7.5950; z = 3.0340 }, (* O5' *)
{ x = 5.2430; y = -8.2420; z = 2.8260 }, (* C5' *)
{ x = 5.1974; y = -8.8497; z = 1.9223 }, (* H5' *)
{ x = 5.5548; y = -8.7348; z = 3.7469 }, (* H5'' *)
{ x = 6.3140; y = -7.2060; z = 2.5510 }, (* C4' *)
{ x = 7.2954; y = -7.6762; z = 2.4898 }, (* H4' *)
{ x = 6.0140; y = -6.5420; z = 1.2890 }, (* O4' *)