diff options
| -rw-r--r-- | test/Makefile | 12 | ||||
| -rw-r--r-- | test/fft.ml | 13 | ||||
| -rw-r--r-- | test/nucleic.ml | 4977 |
3 files changed, 2437 insertions, 2565 deletions
diff --git a/test/Makefile b/test/Makefile index 89be164c9..8b18df664 100644 --- a/test/Makefile +++ b/test/Makefile @@ -67,17 +67,17 @@ beforedepend:: Lex/scanner.ml $(CAMLC) -o $*.byt $< .ml.fast.byt: - cp $*.ml $*.fast.ml - $(CAMLC) -fast -o $*.fast.byt $*.fast.ml - rm -f $*.fast.ml + cp $*.ml $*_fast.ml + $(CAMLC) -fast -o $*.fast.byt $*_fast.ml + rm -f $*_fast.ml .ml.out: $(CAMLOPT) $(OPTFLAGS) -o $*.out $< .ml.fast.out: - cp $*.ml $*.fast.ml - $(CAMLOPT) $(OPTFLAGS) -fast -o $*.fast.out $*.fast.ml - rm -f $*.fast.ml + cp $*.ml $*_fast.ml + $(CAMLOPT) $(OPTFLAGS) -fast -o $*.fast.out $*_fast.ml + rm -f $*_fast.ml .mli.cmi: $(CAMLC) -c $< diff --git a/test/fft.ml b/test/fft.ml index dc42d2103..9465a040e 100644 --- a/test/fft.ml +++ b/test/fft.ml @@ -27,15 +27,14 @@ let fft px py np = n2 := !n2 / 2; let n4 = !n2 / 4 in let e = tpi /. float !n2 in - let a = ref 0.0 in for j = 1 to n4 do - let a3 = 3.0 *. !a in - let cc1 = cos(!a) in - let ss1 = sin(!a) in + let a = e *. float(j - 1) in + let a3 = 3.0 *. a in + let cc1 = cos(a) in + let ss1 = sin(a) in let cc3 = cos(a3) in let ss3 = sin(a3) in - a := e *. float j; let is = ref j in let id = ref(2 * !n2) in @@ -144,11 +143,11 @@ let test np = done; (** print_newline(); - for i=0 to 15 do printf "%d %f %f\n" i pxr.(i+1) pxi.(i+1) done; + for i=0 to 15 do Printf.printf "%d %f %f\n" i pxr.(i+1) pxi.(i+1) done; **) fft pxr pxi np; (** - for i=0 to 15 do printf "%d %f %f\n" i pxr.(i+1) pxi.(i+1) done; + for i=0 to 15 do Printf.printf "%d %f %f\n" i pxr.(i+1) pxi.(i+1) done; **) let zr = ref 0.0 in let zi = ref 0.0 in diff --git a/test/nucleic.ml b/test/nucleic.ml index 264d7061f..d892c654b 100644 --- a/test/nucleic.ml +++ b/test/nucleic.ml @@ -14,33 +14,29 @@ let constant_minus_pi2 = -1.57079632679489661923 (* -- POINTS ----------------------------------------------------------------*) -type pt = float * float * float +type pt = { x : float; y : float; z : float } let -pt_sub ((x1,y1,z1):pt) ((x2,y2,z2):pt) - = (x1 - x2, y1 - y2, z1 - z2) - +pt_sub p1 p2 + = { x = p1.x - p2.x; y = p1.y - p2.y; z = p1.z - p2.z } let -pt_dist ((x1,y1,z1):pt) ((x2,y2,z2):pt) - = let dx = x1 - x2 - and dy = y1 - y2 - and dz = z1 - z2 +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 ((x,y,z):pt) - = let b = atan2 x z +pt_phi p + = let b = atan2 p.x p.z in - atan2 (((cos b) * z + (sin b) * x)) y - + atan2 ((cos b) * p.z + (sin b) * p.x) p.y let -pt_theta ((x,y,z):pt) - = atan2 x z - +pt_theta p + = atan2 p.x p.z (* -- COORDINATE TRANSFORMATIONS --------------------------------------------*) @@ -62,10 +58,16 @@ pt_theta ((x,y,z):pt) *) type tfo = - float*float*float*float*float*float*float*float*float*float*float*float - + {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 = (1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0) +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 @@ -73,70 +75,52 @@ let tfo_id = (1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0) *) let -tfo_apply ((a,b,c,d,e,f,g,h,i,tx,ty,tz):tfo) ((x,y,z):pt) - = ( - ((x * a) + (y * d) + (z * g) + tx) - , - ((x * b) + (y * e) + (z * h) + ty) - , - ((x * c) + (y * f) + (z * i) + tz) - ) - +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 function "tfo-List.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_a,a_b,a_c,a_d,a_e,a_f,a_g,a_h,a_i,a_tx,a_ty,a_tz):tfo) - ((b_a,b_b,b_c,b_d,b_e,b_f,b_g,b_h,b_i,b_tx,b_ty,b_tz):tfo) - = ( - ((a_a * b_a) + (a_b * b_d) + (a_c * b_g)) - , - ((a_a * b_b) + (a_b * b_e) + (a_c * b_h)) - , - ((a_a * b_c) + (a_b * b_f) + (a_c * b_i)) - , - ((a_d * b_a) + (a_e * b_d) + (a_f * b_g)) - , - ((a_d * b_b) + (a_e * b_e) + (a_f * b_h)) - , - ((a_d * b_c) + (a_e * b_f) + (a_f * b_i)) - , - ((a_g * b_a) + (a_h * b_d) + (a_i * b_g)) - , - ((a_g * b_b) + (a_h * b_e) + (a_i * b_h)) - , - ((a_g * b_c) + (a_h * b_f) + (a_i * b_i)) - , - ((a_tx * b_a) + (a_ty * b_d) + (a_tz * b_g) + b_tx) - , - ((a_tx * b_b) + (a_ty * b_e) + (a_tz * b_h) + b_ty) - , - ((a_tx * b_c) + (a_ty * b_f) + (a_tz * b_i) + b_tz) - ) - +tfo_combine a b = + 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) + } (* The function "tfo-inv-ortho" computes the inverse of a homogeneous transformation matrix. *) let -tfo_inv_ortho ((a,b,c,d,e,f,g,h,i,tx,ty,tz):tfo) - = ( - a,d,g, - b,e,h, - c,f,i, - (-.((a * tx) + (b * ty) + (c * tz))) - , - (-.((d * tx) + (e * ty) + (f * tz))) - , - (-.((g * tx) + (h * ty) + (i * tz))) - ) - +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 @@ -145,11 +129,11 @@ tfo_inv_ortho ((a,b,c,d,e,f,g,h,i,tx,ty,tz):tfo) *) let -tfo_align ((x1,y1,z1):pt) ((x2,y2,z2):pt) ((x3,y3,z3):pt) - = let x31 = x3 - x1 in - let y31 = y3 - y1 in - let z31 = z3 - z1 in - let rotpy = pt_sub (x2,y2,z2) (x1,y1,z1) in +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 @@ -160,45 +144,29 @@ tfo_align ((x1,y1,z1):pt) ((x2,y2,z2):pt) ((x3,y3,z3):pt) let sinpcost = sinp * cost in let cospsint = cosp * sint in let cospcost = cosp * cost in - let rotpz = ( - ((cost * x31) - (sint * z31)) - , - ((sinpsint * x31) + (cosp * y31) + (sinpcost * z31)) - , - ((cospsint * x31) + (-.(sinp * y31)) + (cospcost * z31)) - ) 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 = (-.(x1 * cost)) + (z1 * sint) in - let y = ((-.(x1 * sinpsint)) - (y1 * cosp)) - (z1 * sinpcost) in - let z = ((-.(x1 * cospsint) + (y1 * sinp))) - (z1 * cospcost) in - ( - ((cost * cosr) - (cospsint * sinr)) - , - sinpsint - , - ((cost * sinr) + (cospsint * cosr)) - , - (sinp * sinr) - , - cosp - , - (-.(sinp * cosr)) - , - ((-.(sint * cosr)) - (cospcost * sinr)) - , - sinpcost - , - ((-.(sint * sinr) + (cospcost * cosr))) - , - ((x * cosr) - (z * sinr)) - , - y - , - ((x * sinr + (z * cosr))) - ) - + 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 ----------------------------------*) @@ -219,7 +187,6 @@ type nuc_specific = | 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 @@ -229,11 +196,11 @@ type nuc_specific = (* Define part common to all 4 nucleotide types. *) -type nuc = 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 - +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 @@ -245,2698 +212,2635 @@ type nuc = tfo*tfo*tfo*tfo* *) let is_A = function - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,A(_,_,_,_,_,_,_,_)) -> true | _ -> false - let is_C = function - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,C(_,_,_,_,_,_)) -> true | _ -> false - let is_G = function - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,G(_,_,_,_,_,_,_,_,_)) -> true | _ -> false - let nuc_C1' - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = c1' - let nuc_C2 - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = c2 - let nuc_C3' - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = c3' - let nuc_C4 - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = c4 - let nuc_C4' - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = c4' - let nuc_N1 - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = n1 - let nuc_O3' - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = o3' - let nuc_P - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = p - let nuc_dgf_base_tfo - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = dgf_base_tfo - let nuc_p_o3'_180_tfo - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = p_o3'_180_tfo - let nuc_p_o3'_275_tfo - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = p_o3'_275_tfo - let nuc_p_o3'_60_tfo - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,_) + c3',h3',o3',n1,n3,c2,c4,c5,c6,_)) = p_o3'_60_tfo - let rA_N9 - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,A (n6,n7,n9,c8,h2,h61,h62,h8)) + c3',h3',o3',n1,n3,c2,c4,c5,c6,A (n6,n7,n9,c8,h2,h61,h62,h8))) = n9 - let rG_N9 - (dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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,G (n2,n7,n9,c8,o6,h1,h21,h22,h8)) + 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 - = ( - ( (-0.0018), (-0.8207), (0.5714), (* dgf_base_tfo *) - (0.2679), (-0.5509), (-0.7904), - (0.9634), (0.1517), (0.2209), - (0.0073), (8.4030), (0.6232)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (5.4550), (8.2120), (-2.8810)), (* C5' *) - ( (5.4546), (8.8508), (-1.9978)), (* H5' *) - ( (5.7588), (8.6625), (-3.8259)), (* H5'' *) - ( (6.4970), (7.1480), (-2.5980)), (* C4' *) - ( (7.4896), (7.5919), (-2.5214)), (* H4' *) - ( (6.1630), (6.4860), (-1.3440)), (* O4' *) - ( (6.5400), (5.1200), (-1.4190)), (* C1' *) - ( (7.2763), (4.9681), (-0.6297)), (* H1' *) - ( (7.1940), (4.8830), (-2.7770)), (* C2' *) - ( (6.8667), (3.9183), (-3.1647)), (* H2'' *) - ( (8.5860), (5.0910), (-2.6140)), (* O2' *) - ( (8.9510), (4.7626), (-1.7890)), (* H2' *) - ( (6.5720), (6.0040), (-3.6090)), (* C3' *) - ( (5.5636), (5.7066), (-3.8966)), (* H3' *) - ( (7.3801), (6.3562), (-4.7350)), (* O3' *) - ( (4.7150), (0.4910), (-0.1360)), (* N1 *) - ( (6.3490), (2.1730), (-0.6020)), (* N3 *) - ( (5.9530), (0.9650), (-0.2670)), (* C2 *) - ( (5.2900), (2.9790), (-0.8260)), (* C4 *) - ( (3.9720), (2.6390), (-0.7330)), (* C5 *) - ( (3.6770), (1.3160), (-0.3660)), (* C6 *) + = 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 ( - ( (2.4280), (0.8450), (-0.2360)), (* N6 *) - ( (3.1660), (3.7290), (-1.0360)), (* N7 *) - ( (5.3170), (4.2990), (-1.1930)), (* N9 *) - ( (4.0100), (4.6780), (-1.2990)), (* C8 *) - ( (6.6890), (0.1903), (-0.0518)), (* H2 *) - ( (1.6470), (1.4460), (-0.4040)), (* H61 *) - ( (2.2780), (-0.1080), (-0.0280)), (* H62 *) - ( (3.4421), (5.5744), (-1.5482))) (* H8 *) + { 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 - = ( - ( (-0.0043), (-0.8175), (0.5759), (* dgf_base_tfo *) - (0.2617), (-0.5567), (-0.7884), - (0.9651), (0.1473), (0.2164), - (0.0359), (8.3929), (0.5532)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (5.4352), (8.2183), (-2.7757)), (* C5' *) - ( (5.3830), (8.7883), (-1.8481)), (* H5' *) - ( (5.7729), (8.7436), (-3.6691)), (* H5'' *) - ( (6.4830), (7.1518), (-2.5252)), (* C4' *) - ( (7.4749), (7.5972), (-2.4482)), (* H4' *) - ( (6.1626), (6.4620), (-1.2827)), (* O4' *) - ( (6.5431), (5.0992), (-1.3905)), (* C1' *) - ( (7.2871), (4.9328), (-0.6114)), (* H1' *) - ( (7.1852), (4.8935), (-2.7592)), (* C2' *) - ( (6.8573), (3.9363), (-3.1645)), (* H2'' *) - ( (8.5780), (5.1025), (-2.6046)), (* O2' *) - ( (8.9516), (4.7577), (-1.7902)), (* H2' *) - ( (6.5522), (6.0300), (-3.5612)), (* C3' *) - ( (5.5420), (5.7356), (-3.8459)), (* H3' *) - ( (7.3487), (6.4089), (-4.6867)), (* O3' *) - ( (4.7442), (0.4514), (-0.1390)), (* N1 *) - ( (6.3687), (2.1459), (-0.5926)), (* N3 *) - ( (5.9795), (0.9335), (-0.2657)), (* C2 *) - ( (5.3052), (2.9471), (-0.8125)), (* C4 *) - ( (3.9891), (2.5987), (-0.7230)), (* C5 *) - ( (3.7016), (1.2717), (-0.3647)), (* C6 *) + = 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 ( - ( (2.4553), (0.7925), (-0.2390)), (* N6 *) - ( (3.1770), (3.6859), (-1.0198)), (* N7 *) - ( (5.3247), (4.2695), (-1.1710)), (* N9 *) - ( (4.0156), (4.6415), (-1.2759)), (* C8 *) - ( (6.7198), (0.1618), (-0.0547)), (* H2 *) - ( (1.6709), (1.3900), (-0.4039)), (* H61 *) - ( (2.3107), (-0.1627), (-0.0373)), (* H62 *) - ( (3.4426), (5.5361), (-1.5199))) (* H8 *) + { 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 - = ( - ( (0.5566), (0.0449), (0.8296), (* dgf_base_tfo *) - (0.5125), (0.7673), (-0.3854), - (-0.6538), (0.6397), (0.4041), - (-9.1161), (-3.7679), (-2.9968)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.5778), (6.6594), (-4.0364)), (* C5' *) - ( (4.9220), (7.1963), (-4.9204)), (* H5' *) - ( (3.7996), (5.9091), (-4.1764)), (* H5'' *) - ( (5.7873), (5.8869), (-3.5482)), (* C4' *) - ( (6.0405), (5.0875), (-4.2446)), (* H4' *) - ( (6.9135), (6.8036), (-3.4310)), (* O4' *) - ( (7.7293), (6.4084), (-2.3392)), (* C1' *) - ( (8.7078), (6.1815), (-2.7624)), (* H1' *) - ( (7.1305), (5.1418), (-1.7347)), (* C2' *) - ( (7.2040), (5.1982), (-0.6486)), (* H2'' *) - ( (7.7417), (4.0392), (-2.3813)), (* O2' *) - ( (8.6785), (4.1443), (-2.5630)), (* H2' *) - ( (5.6666), (5.2728), (-2.1536)), (* C3' *) - ( (5.1747), (5.9805), (-1.4863)), (* H3' *) - ( (4.9997), (4.0086), (-2.1973)), (* O3' *) - ( (10.3245), (8.5459), (1.5467)), (* N1 *) - ( (9.8051), (6.9432), (-0.1497)), (* N3 *) - ( (10.5175), (7.4328), (0.8408)), (* C2 *) - ( (8.7523), (7.7422), (-0.4228)), (* C4 *) - ( (8.4257), (8.9060), (0.2099)), (* C5 *) - ( (9.2665), (9.3242), (1.2540)), (* C6 *) + = 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 ( - ( (9.0664), (10.4462), (1.9610)), (* N6 *) - ( (7.2750), (9.4537), (-0.3428)), (* N7 *) - ( (7.7962), (7.5519), (-1.3859)), (* N9 *) - ( (6.9479), (8.6157), (-1.2771)), (* C8 *) - ( (11.4063), (6.9047), (1.1859)), (* H2 *) - ( (8.2845), (11.0341), (1.7552)), (* H61 *) - ( (9.6584), (10.6647), (2.7198)), (* H62 *) - ( (6.0430), (8.9853), (-1.7594))) (* H8 *) + { 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 - = ( - ( (-0.5021), (0.0731), (0.8617), (* dgf_base_tfo *) - (-0.8112), (0.3054), (-0.4986), - (-0.2996), (-0.9494), (-0.0940), - (6.4273), (-5.1944), (-3.7807)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.1214), (6.7116), (-1.9049)), (* C5' *) - ( (3.3465), (5.9610), (-2.0607)), (* H5' *) - ( (4.0789), (7.2928), (-0.9837)), (* H5'' *) - ( (5.4170), (5.9293), (-1.8186)), (* C4' *) - ( (5.4506), (5.3400), (-0.9023)), (* H4' *) - ( (5.5067), (5.0417), (-2.9703)), (* O4' *) - ( (6.8650), (4.9152), (-3.3612)), (* C1' *) - ( (7.1090), (3.8577), (-3.2603)), (* H1' *) - ( (7.7152), (5.7282), (-2.3894)), (* C2' *) - ( (8.5029), (6.2356), (-2.9463)), (* H2'' *) - ( (8.1036), (4.8568), (-1.3419)), (* O2' *) - ( (8.3270), (3.9651), (-1.6184)), (* H2' *) - ( (6.7003), (6.7565), (-1.8911)), (* C3' *) - ( (6.5898), (7.5329), (-2.6482)), (* H3' *) - ( (7.0505), (7.2878), (-0.6105)), (* O3' *) - ( (9.6740), (4.7656), (-7.6614)), (* N1 *) - ( (9.0739), (4.3013), (-5.3941)), (* N3 *) - ( (9.8416), (4.2192), (-6.4581)), (* C2 *) - ( (7.9885), (5.0632), (-5.6446)), (* C4 *) - ( (7.6822), (5.6856), (-6.8194)), (* C5 *) - ( (8.5831), (5.5215), (-7.8840)), (* C6 *) + = 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 ( - ( (8.4084), (6.0747), (-9.0933)), (* N6 *) - ( (6.4857), (6.3816), (-6.7035)), (* N7 *) - ( (6.9740), (5.3703), (-4.7760)), (* N9 *) - ( (6.1133), (6.1613), (-5.4808)), (* C8 *) - ( (10.7627), (3.6375), (-6.4220)), (* H2 *) - ( (7.6031), (6.6390), (-9.2733)), (* H61 *) - ( (9.1004), (5.9708), (-9.7893)), (* H62 *) - ( (5.1705), (6.6830), (-5.3167))) (* H8 *) + { 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 - = ( - ( (-0.5426), (-0.8175), (0.1929), (* dgf_base_tfo *) - (0.8304), (-0.5567), (-0.0237), - (0.1267), (0.1473), (0.9809), - (-0.5075), (8.3929), (0.2229)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (5.4352), (8.2183), (-2.7757)), (* C5' *) - ( (5.3830), (8.7883), (-1.8481)), (* H5' *) - ( (5.7729), (8.7436), (-3.6691)), (* H5'' *) - ( (6.4830), (7.1518), (-2.5252)), (* C4' *) - ( (7.4749), (7.5972), (-2.4482)), (* H4' *) - ( (6.1626), (6.4620), (-1.2827)), (* O4' *) - ( (6.5431), (5.0992), (-1.3905)), (* C1' *) - ( (7.2871), (4.9328), (-0.6114)), (* H1' *) - ( (7.1852), (4.8935), (-2.7592)), (* C2' *) - ( (6.8573), (3.9363), (-3.1645)), (* H2'' *) - ( (8.5780), (5.1025), (-2.6046)), (* O2' *) - ( (8.9516), (4.7577), (-1.7902)), (* H2' *) - ( (6.5522), (6.0300), (-3.5612)), (* C3' *) - ( (5.5420), (5.7356), (-3.8459)), (* H3' *) - ( (7.3487), (6.4089), (-4.6867)), (* O3' *) - ( (3.6343), (2.6680), (2.0783)), (* N1 *) - ( (5.4505), (3.9805), (1.2446)), (* N3 *) - ( (4.7540), (3.3816), (2.1851)), (* C2 *) - ( (4.8805), (3.7951), (0.0354)), (* C4 *) - ( (3.7416), (3.0925), (-0.2305)), (* C5 *) - ( (3.0873), (2.4980), (0.8606)), (* C6 *) + = 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 ( - ( (1.9600), (1.7805), (0.7462)), (* N6 *) - ( (3.4605), (3.1184), (-1.5906)), (* N7 *) - ( (5.3247), (4.2695), (-1.1710)), (* N9 *) - ( (4.4244), (3.8244), (-2.0953)), (* C8 *) - ( (5.0814), (3.4352), (3.2234)), (* H2 *) - ( (1.5423), (1.6454), (-0.1520)), (* H61 *) - ( (1.5716), (1.3398), (1.5392)), (* H62 *) - ( (4.2675), (3.8876), (-3.1721))) (* H8 *) + { 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 - = ( - ( (-0.5891), (0.0449), (0.8068), (* dgf_base_tfo *) - (0.5375), (0.7673), (0.3498), - (-0.6034), (0.6397), (-0.4762), - (-0.3019), (-3.7679), (-9.5913)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.5778), (6.6594), (-4.0364)), (* C5' *) - ( (4.9220), (7.1963), (-4.9204)), (* H5' *) - ( (3.7996), (5.9091), (-4.1764)), (* H5'' *) - ( (5.7873), (5.8869), (-3.5482)), (* C4' *) - ( (6.0405), (5.0875), (-4.2446)), (* H4' *) - ( (6.9135), (6.8036), (-3.4310)), (* O4' *) - ( (7.7293), (6.4084), (-2.3392)), (* C1' *) - ( (8.7078), (6.1815), (-2.7624)), (* H1' *) - ( (7.1305), (5.1418), (-1.7347)), (* C2' *) - ( (7.2040), (5.1982), (-0.6486)), (* H2'' *) - ( (7.7417), (4.0392), (-2.3813)), (* O2' *) - ( (8.6785), (4.1443), (-2.5630)), (* H2' *) - ( (5.6666), (5.2728), (-2.1536)), (* C3' *) - ( (5.1747), (5.9805), (-1.4863)), (* H3' *) - ( (4.9997), (4.0086), (-2.1973)), (* O3' *) - ( (10.2594), (10.6774), (-1.0056)), (* N1 *) - ( (9.7528), (8.7080), (-2.2631)), (* N3 *) - ( (10.4471), (9.7876), (-1.9791)), (* C2 *) - ( (8.7271), (8.5575), (-1.3991)), (* C4 *) - ( (8.4100), (9.3803), (-0.3580)), (* C5 *) - ( (9.2294), (10.5030), (-0.1574)), (* C6 *) + = 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 ( - ( (9.0349), (11.3951), (0.8250)), (* N6 *) - ( (7.2891), (8.9068), (0.3121)), (* N7 *) - ( (7.7962), (7.5519), (-1.3859)), (* N9 *) - ( (6.9702), (7.8292), (-0.3353)), (* C8 *) - ( (11.3132), (10.0537), (-2.5851)), (* H2 *) - ( (8.2741), (11.2784), (1.4629)), (* H61 *) - ( (9.6733), (12.1368), (0.9529)), (* H62 *) - ( (6.0888), (7.3990), (0.1403))) (* H8 *) + { 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 - = ( - ( (-0.9815), (0.0731), (-0.1772), (* dgf_base_tfo *) - (0.1912), (0.3054), (-0.9328), - (-0.0141), (-0.9494), (-0.3137), - (5.7506), (-5.1944), (4.7470)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.1214), (6.7116), (-1.9049)), (* C5' *) - ( (3.3465), (5.9610), (-2.0607)), (* H5' *) - ( (4.0789), (7.2928), (-0.9837)), (* H5'' *) - ( (5.4170), (5.9293), (-1.8186)), (* C4' *) - ( (5.4506), (5.3400), (-0.9023)), (* H4' *) - ( (5.5067), (5.0417), (-2.9703)), (* O4' *) - ( (6.8650), (4.9152), (-3.3612)), (* C1' *) - ( (7.1090), (3.8577), (-3.2603)), (* H1' *) - ( (7.7152), (5.7282), (-2.3894)), (* C2' *) - ( (8.5029), (6.2356), (-2.9463)), (* H2'' *) - ( (8.1036), (4.8568), (-1.3419)), (* O2' *) - ( (8.3270), (3.9651), (-1.6184)), (* H2' *) - ( (6.7003), (6.7565), (-1.8911)), (* C3' *) - ( (6.5898), (7.5329), (-2.6482)), (* H3' *) - ( (7.0505), (7.2878), (-0.6105)), (* O3' *) - ( (6.6624), (3.5061), (-8.2986)), (* N1 *) - ( (6.5810), (3.2570), (-5.9221)), (* N3 *) - ( (6.5151), (2.8263), (-7.1625)), (* C2 *) - ( (6.8364), (4.5817), (-5.8882)), (* C4 *) - ( (7.0116), (5.4064), (-6.9609)), (* C5 *) - ( (6.9173), (4.8260), (-8.2361)), (* C6 *) + = 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 ( - ( (7.0668), (5.5163), (-9.3763)), (* N6 *) - ( (7.2573), (6.7070), (-6.5394)), (* N7 *) - ( (6.9740), (5.3703), (-4.7760)), (* N9 *) - ( (7.2238), (6.6275), (-5.2453)), (* C8 *) - ( (6.3146), (1.7741), (-7.3641)), (* H2 *) - ( (7.2568), (6.4972), (-9.3456)), (* H61 *) - ( (7.0437), (5.0478), (-10.2446)), (* H62 *) - ( (7.4108), (7.6227), (-4.8418))) (* H8 *) + { 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 - = ( - ( (0.2379), (0.1310), (-0.9624), (* dgf_base_tfo *) - (-0.5876), (-0.7696), (-0.2499), - (-0.7734), (0.6249), (-0.1061), - (30.9870), (-26.9344), (42.6416)), - ( (0.7529), (0.1548), (0.6397), (* P_O3'_275_tfo *) - (0.2952), (-0.9481), (-0.1180), - (0.5882), (0.2777), (-0.7595), - (-58.8919), (-11.3095), (6.0866)), - ( (-0.0239), (0.9667), (-0.2546), (* P_O3'_180_tfo *) - (0.9731), (-0.0359), (-0.2275), - (-0.2290), (-0.2532), (-0.9399), - (3.5401), (-29.7913), (52.2796)), - ( (-0.8912), (-0.4531), (0.0242), (* P_O3'_60_tfo *) - (-0.1183), (0.1805), (-0.9764), - (0.4380), (-0.8730), (-0.2145), - (19.9023), (54.8054), (15.2799)), - ( (41.8210), (8.3880), (43.5890)), (* P *) - ( (42.5400), (8.0450), (44.8330)), (* O1P *) - ( (42.2470), (9.6920), (42.9910)), (* O2P *) - ( (40.2550), (8.2030), (43.7340)), (* O5' *) - ( (39.3505), (8.4697), (42.6565)), (* C5' *) - ( (39.1377), (7.5433), (42.1230)), (* H5' *) - ( (39.7203), (9.3119), (42.0717)), (* H5'' *) - ( (38.0405), (8.9195), (43.2869)), (* C4' *) - ( (37.3687), (9.3036), (42.5193)), (* H4' *) - ( (37.4319), (7.8146), (43.9387)), (* O4' *) - ( (37.1959), (8.1354), (45.3237)), (* C1' *) - ( (36.1788), (8.5202), (45.3970)), (* H1' *) - ( (38.1721), (9.2328), (45.6504)), (* C2' *) - ( (39.1555), (8.7939), (45.8188)), (* H2'' *) - ( (37.7862), (10.0617), (46.7013)), (* O2' *) - ( (37.3087), (9.6229), (47.4092)), (* H2' *) - ( (38.1844), (10.0268), (44.3367)), (* C3' *) - ( (39.1578), (10.5054), (44.2289)), (* H3' *) - ( (37.0547), (10.9127), (44.3441)), (* O3' *) - ( (34.8811), (4.2072), (47.5784)), (* N1 *) - ( (35.1084), (6.1336), (46.1818)), (* N3 *) - ( (34.4108), (5.1360), (46.7207)), (* C2 *) - ( (36.3908), (6.1224), (46.6053)), (* C4 *) - ( (36.9819), (5.2334), (47.4697)), (* C5 *) - ( (36.1786), (4.1985), (48.0035)), (* C6 *) + = 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 ( - ( (36.6103), (3.2749), (48.8452)), (* N6 *) - ( (38.3236), (5.5522), (47.6595)), (* N7 *) - ( (37.3887), (7.0024), (46.2437)), (* N9 *) - ( (38.5055), (6.6096), (46.9057)), (* C8 *) - ( (33.3553), (5.0152), (46.4771)), (* H2 *) - ( (37.5730), (3.2804), (49.1507)), (* H61 *) - ( (35.9775), (2.5638), (49.1828)), (* H62 *) - ( (39.5461), (6.9184), (47.0041))) (* H8 *) + { 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 - = ( - ( (0.1084), (-0.0895), (-0.9901), (* dgf_base_tfo *) - (0.9789), (-0.1638), (0.1220), - (-0.1731), (-0.9824), (0.0698), - (-2.9039), (47.2655), (33.0094)), - ( (0.7529), (0.1548), (0.6397), (* P_O3'_275_tfo *) - (0.2952), (-0.9481), (-0.1180), - (0.5882), (0.2777), (-0.7595), - (-58.8919), (-11.3095), (6.0866)), - ( (-0.0239), (0.9667), (-0.2546), (* P_O3'_180_tfo *) - (0.9731), (-0.0359), (-0.2275), - (-0.2290), (-0.2532), (-0.9399), - (3.5401), (-29.7913), (52.2796)), - ( (-0.8912), (-0.4531), (0.0242), (* P_O3'_60_tfo *) - (-0.1183), (0.1805), (-0.9764), - (0.4380), (-0.8730), (-0.2145), - (19.9023), (54.8054), (15.2799)), - ( (41.8210), (8.3880), (43.5890)), (* P *) - ( (42.5400), (8.0450), (44.8330)), (* O1P *) - ( (42.2470), (9.6920), (42.9910)), (* O2P *) - ( (40.2550), (8.2030), (43.7340)), (* O5' *) - ( (39.4850), (8.9301), (44.6977)), (* C5' *) - ( (39.0638), (9.8199), (44.2296)), (* H5' *) - ( (40.0757), (9.0713), (45.6029)), (* H5'' *) - ( (38.3102), (8.0414), (45.0789)), (* C4' *) - ( (37.7842), (8.4637), (45.9351)), (* H4' *) - ( (37.4200), (7.9453), (43.9769)), (* O4' *) - ( (37.2249), (6.5609), (43.6273)), (* C1' *) - ( (36.3360), (6.2168), (44.1561)), (* H1' *) - ( (38.4347), (5.8414), (44.1590)), (* C2' *) - ( (39.2688), (5.9974), (43.4749)), (* H2'' *) - ( (38.2344), (4.4907), (44.4348)), (* O2' *) - ( (37.6374), (4.0386), (43.8341)), (* H2' *) - ( (38.6926), (6.6079), (45.4637)), (* C3' *) - ( (39.7585), (6.5640), (45.6877)), (* H3' *) - ( (37.8238), (6.0705), (46.4723)), (* O3' *) - ( (33.9162), (6.2598), (39.7758)), (* N1 *) - ( (34.6709), (6.5759), (42.0215)), (* N3 *) - ( (33.7257), (6.5186), (41.0858)), (* C2 *) - ( (35.8935), (6.3324), (41.5018)), (* C4 *) - ( (36.2105), (6.0601), (40.1932)), (* C5 *) - ( (35.1538), (6.0151), (39.2537)), (* C6 *) + = 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 ( - ( (35.3088), (5.7642), (37.9649)), (* N6 *) - ( (37.5818), (5.8677), (40.0507)), (* N7 *) - ( (37.0932), (6.3197), (42.1810)), (* N9 *) - ( (38.0509), (6.0354), (41.2635)), (* C8 *) - ( (32.6830), (6.6898), (41.3532)), (* H2 *) - ( (36.2305), (5.5855), (37.5925)), (* H61 *) - ( (34.5056), (5.7512), (37.3528)), (* H62 *) - ( (39.1318), (5.8993), (41.2285))) (* H8 *) + { 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 - = ( - ( (0.8467), (0.4166), (-0.3311), (* dgf_base_tfo *) - (-0.3962), (0.9089), (0.1303), - (0.3552), (0.0209), (0.9346), - (-42.7319), (-26.6223), (-29.8163)), - ( (0.7529), (0.1548), (0.6397), (* P_O3'_275_tfo *) - (0.2952), (-0.9481), (-0.1180), - (0.5882), (0.2777), (-0.7595), - (-58.8919), (-11.3095), (6.0866)), - ( (-0.0239), (0.9667), (-0.2546), (* P_O3'_180_tfo *) - (0.9731), (-0.0359), (-0.2275), - (-0.2290), (-0.2532), (-0.9399), - (3.5401), (-29.7913), (52.2796)), - ( (-0.8912), (-0.4531), (0.0242), (* P_O3'_60_tfo *) - (-0.1183), (0.1805), (-0.9764), - (0.4380), (-0.8730), (-0.2145), - (19.9023), (54.8054), (15.2799)), - ( (41.8210), (8.3880), (43.5890)), (* P *) - ( (42.5400), (8.0450), (44.8330)), (* O1P *) - ( (42.2470), (9.6920), (42.9910)), (* O2P *) - ( (40.2550), (8.2030), (43.7340)), (* O5' *) - ( (39.3505), (8.4697), (42.6565)), (* C5' *) - ( (39.1377), (7.5433), (42.1230)), (* H5' *) - ( (39.7203), (9.3119), (42.0717)), (* H5'' *) - ( (38.0405), (8.9195), (43.2869)), (* C4' *) - ( (37.6479), (8.1347), (43.9335)), (* H4' *) - ( (38.2691), (10.0933), (44.0524)), (* O4' *) - ( (37.3999), (11.1488), (43.5973)), (* C1' *) - ( (36.5061), (11.1221), (44.2206)), (* H1' *) - ( (37.0364), (10.7838), (42.1836)), (* C2' *) - ( (37.8636), (11.0489), (41.5252)), (* H2'' *) - ( (35.8275), (11.3133), (41.7379)), (* O2' *) - ( (35.6214), (12.1896), (42.0714)), (* H2' *) - ( (36.9316), (9.2556), (42.2837)), (* C3' *) - ( (37.1778), (8.8260), (41.3127)), (* H3' *) - ( (35.6285), (8.9334), (42.7926)), (* O3' *) - ( (38.1482), (15.2833), (46.4641)), (* N1 *) - ( (37.3641), (13.0968), (45.9007)), (* N3 *) - ( (37.5032), (14.1288), (46.7300)), (* C2 *) - ( (37.9570), (13.3377), (44.7113)), (* C4 *) - ( (38.6397), (14.4660), (44.3267)), (* C5 *) - ( (38.7473), (15.5229), (45.2609)), (* C6 *) + = 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 ( - ( (39.3720), (16.6649), (45.0297)), (* N6 *) - ( (39.1079), (14.3351), (43.0223)), (* N7 *) - ( (38.0132), (12.4868), (43.6280)), (* N9 *) - ( (38.7058), (13.1402), (42.6620)), (* C8 *) - ( (37.0731), (14.0857), (47.7306)), (* H2 *) - ( (39.8113), (16.8281), (44.1350)), (* H61 *) - ( (39.4100), (17.3741), (45.7478)), (* H62 *) - ( (39.0412), (12.9660), (41.6397))) (* H8 *) + { 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 - = ( - ( (0.7063), (0.6317), (-0.3196), (* dgf_base_tfo *) - (-0.0403), (-0.4149), (-0.9090), - (-0.7068), (0.6549), (-0.2676), - (6.4402), (-52.1496), (30.8246)), - ( (0.7529), (0.1548), (0.6397), (* P_O3'_275_tfo *) - (0.2952), (-0.9481), (-0.1180), - (0.5882), (0.2777), (-0.7595), - (-58.8919), (-11.3095), (6.0866)), - ( (-0.0239), (0.9667), (-0.2546), (* P_O3'_180_tfo *) - (0.9731), (-0.0359), (-0.2275), - (-0.2290), (-0.2532), (-0.9399), - (3.5401), (-29.7913), (52.2796)), - ( (-0.8912), (-0.4531), (0.0242), (* P_O3'_60_tfo *) - (-0.1183), (0.1805), (-0.9764), - (0.4380), (-0.8730), (-0.2145), - (19.9023), (54.8054), (15.2799)), - ( (41.8210), (8.3880), (43.5890)), (* P *) - ( (42.5400), (8.0450), (44.8330)), (* O1P *) - ( (42.2470), (9.6920), (42.9910)), (* O2P *) - ( (40.2550), (8.2030), (43.7340)), (* O5' *) - ( (39.4850), (8.9301), (44.6977)), (* C5' *) - ( (39.0638), (9.8199), (44.2296)), (* H5' *) - ( (40.0757), (9.0713), (45.6029)), (* H5'' *) - ( (38.3102), (8.0414), (45.0789)), (* C4' *) - ( (37.7099), (7.8166), (44.1973)), (* H4' *) - ( (38.8012), (6.8321), (45.6380)), (* O4' *) - ( (38.2431), (6.6413), (46.9529)), (* C1' *) - ( (37.3505), (6.0262), (46.8385)), (* H1' *) - ( (37.8484), (8.0156), (47.4214)), (* C2' *) - ( (38.7381), (8.5406), (47.7690)), (* H2'' *) - ( (36.8286), (8.0368), (48.3701)), (* O2' *) - ( (36.8392), (7.3063), (48.9929)), (* H2' *) - ( (37.3576), (8.6512), (46.1132)), (* C3' *) - ( (37.5207), (9.7275), (46.1671)), (* H3' *) - ( (35.9985), (8.2392), (45.9032)), (* O3' *) - ( (39.9117), (2.2278), (48.8527)), (* N1 *) - ( (38.6207), (3.6941), (47.4757)), (* N3 *) - ( (38.9872), (2.4888), (47.9057)), (* C2 *) - ( (39.2961), (4.6720), (48.1174)), (* C4 *) - ( (40.2546), (4.5307), (49.0912)), (* C5 *) - ( (40.5932), (3.2189), (49.4985)), (* C6 *) + = 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 ( - ( (41.4938), (2.9317), (50.4229)), (* N6 *) - ( (40.7195), (5.7755), (49.5060)), (* N7 *) - ( (39.1730), (6.0305), (47.9170)), (* N9 *) - ( (40.0413), (6.6250), (48.7728)), (* C8 *) - ( (38.5257), (1.5960), (47.4838)), (* H2 *) - ( (41.9907), (3.6753), (50.8921)), (* H61 *) - ( (41.6848), (1.9687), (50.6599)), (* H62 *) - ( (40.3571), (7.6321), (49.0452))) (* H8 *) + { 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 - = ( - ( (-0.0359), (-0.8071), (0.5894), (* dgf_base_tfo *) - (-0.2669), (0.5761), (0.7726), - (-0.9631), (-0.1296), (-0.2361), - (0.1584), (8.3434), (0.5434)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2430), (-8.2420), (2.8260)), (* C5' *) - ( (5.1974), (-8.8497), (1.9223)), (* H5' *) - ( (5.5548), (-8.7348), (3.7469)), (* H5'' *) - ( (6.3140), (-7.2060), (2.5510)), (* C4' *) - ( (7.2954), (-7.6762), (2.4898)), (* H4' *) - ( (6.0140), (-6.5420), (1.2890)), (* O4' *) - ( (6.4190), (-5.1840), (1.3620)), (* C1' *) - ( (7.1608), (-5.0495), (0.5747)), (* H1' *) - ( (7.0760), (-4.9560), (2.7270)), (* C2' *) - ( (6.7770), (-3.9803), (3.1099)), (* H2'' *) - ( (8.4500), (-5.1930), (2.5810)), (* O2' *) - ( (8.8309), (-4.8755), (1.7590)), (* H2' *) - ( (6.4060), (-6.0590), (3.5580)), (* C3' *) - ( (5.4021), (-5.7313), (3.8281)), (* H3' *) - ( (7.1570), (-6.4240), (4.7070)), (* O3' *) - ( (5.2170), (-4.3260), (1.1690)), (* N1 *) - ( (4.2960), (-2.2560), (0.6290)), (* N3 *) - ( (5.4330), (-3.0200), (0.7990)), (* C2 *) - ( (2.9930), (-2.6780), (0.7940)), (* C4 *) - ( (2.8670), (-4.0630), (1.1830)), (* C5 *) - ( (3.9570), (-4.8300), (1.3550)), (* C6 *) + = 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' *) + { x = 6.4190; y = -5.1840; z = 1.3620 }, (* C1' *) + { x = 7.1608; y = -5.0495; z = 0.5747 }, (* H1' *) + { x = 7.0760; y = -4.9560; z = 2.7270 }, (* C2' *) + { x = 6.7770; y = -3.9803; z = 3.1099 }, (* H2'' *) + { x = 8.4500; y = -5.1930; z = 2.5810 }, (* O2' *) + { x = 8.8309; y = -4.8755; z = 1.7590 }, (* H2' *) + { x = 6.4060; y = -6.0590; z = 3.5580 }, (* C3' *) + { x = 5.4021; y = -5.7313; z = 3.8281 }, (* H3' *) + { x = 7.1570; y = -6.4240; z = 4.7070 }, (* O3' *) + { x = 5.2170; y = -4.3260; z = 1.1690 }, (* N1 *) + { x = 4.2960; y = -2.2560; z = 0.6290 }, (* N3 *) + { x = 5.4330; y = -3.0200; z = 0.7990 }, (* C2 *) + { x = 2.9930; y = -2.6780; z = 0.7940 }, (* C4 *) + { x = 2.8670; y = -4.0630; z = 1.1830 }, (* C5 *) + { x = 3.9570; y = -4.8300; z = 1.3550 }, (* C6 *) (C ( - ( (2.0187), (-1.8047), (0.5874)), (* N4 *) - ( (6.5470), (-2.5560), (0.6290)), (* O2 *) - ( (1.0684), (-2.1236), (0.7109)), (* H41 *) - ( (2.2344), (-0.8560), (0.3162)), (* H42 *) - ( (1.8797), (-4.4972), (1.3404)), (* H5 *) - ( (3.8479), (-5.8742), (1.6480))) (* H6 *) + { x = 2.0187; y = -1.8047; z = 0.5874 }, (* N4 *) + { x = 6.5470; y = -2.5560; z = 0.6290 }, (* O2 *) + { x = 1.0684; y = -2.1236; z = 0.7109 }, (* H41 *) + { x = 2.2344; y = -0.8560; z = 0.3162 }, (* H42 *) + { x = 1.8797; y = -4.4972; z = 1.3404 }, (* H5 *) + { x = 3.8479; y = -5.8742; z = 1.6480 }) (* H6 *) ) ) - let rC01 - = ( - ( (-0.0137), (-0.8012), (0.5983), (* dgf_base_tfo *) - (-0.2523), (0.5817), (0.7733), - (-0.9675), (-0.1404), (-0.2101), - (0.2031), (8.3874), (0.4228)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2416), (-8.2422), (2.8181)), (* C5' *) - ( (5.2050), (-8.8128), (1.8901)), (* H5' *) - ( (5.5368), (-8.7738), (3.7227)), (* H5'' *) - ( (6.3232), (-7.2037), (2.6002)), (* C4' *) - ( (7.3048), (-7.6757), (2.5577)), (* H4' *) - ( (6.0635), (-6.5092), (1.3456)), (* O4' *) - ( (6.4697), (-5.1547), (1.4629)), (* C1' *) - ( (7.2354), (-5.0043), (0.7018)), (* H1' *) - ( (7.0856), (-4.9610), (2.8521)), (* C2' *) - ( (6.7777), (-3.9935), (3.2487)), (* H2'' *) - ( (8.4627), (-5.1992), (2.7423)), (* O2' *) - ( (8.8693), (-4.8638), (1.9399)), (* H2' *) - ( (6.3877), (-6.0809), (3.6362)), (* C3' *) - ( (5.3770), (-5.7562), (3.8834)), (* H3' *) - ( (7.1024), (-6.4754), (4.7985)), (* O3' *) - ( (5.2764), (-4.2883), (1.2538)), (* N1 *) - ( (4.3777), (-2.2062), (0.7229)), (* N3 *) - ( (5.5069), (-2.9779), (0.9088)), (* C2 *) - ( (3.0693), (-2.6246), (0.8500)), (* C4 *) - ( (2.9279), (-4.0146), (1.2149)), (* C5 *) - ( (4.0101), (-4.7892), (1.4017)), (* C6 *) + = N( + { a= -0.0137; b= -0.8012; c=0.5983; (* dgf_base_tfo *) + d= -0.2523; e=0.5817; f=0.7733; + g= -0.9675; h= -0.1404; i= -0.2101; + tx=0.2031; ty=8.3874; tz=0.4228 }, + { 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 = 5.2416; y = -8.2422; z = 2.8181 }, (* C5' *) + { x = 5.2050; y = -8.8128; z = 1.8901 }, (* H5' *) + { x = 5.5368; y = -8.7738; z = 3.7227 }, (* H5'' *) + { x = 6.3232; y = -7.2037; z = 2.6002 }, (* C4' *) + { x = 7.3048; y = -7.6757; z = 2.5577 }, (* H4' *) + { x = 6.0635; y = -6.5092; z = 1.3456 }, (* O4' *) + { x = 6.4697; y = -5.1547; z = 1.4629 }, (* C1' *) + { x = 7.2354; y = -5.0043; z = 0.7018 }, (* H1' *) + { x = 7.0856; y = -4.9610; z = 2.8521 }, (* C2' *) + { x = 6.7777; y = -3.9935; z = 3.2487 }, (* H2'' *) + { x = 8.4627; y = -5.1992; z = 2.7423 }, (* O2' *) + { x = 8.8693; y = -4.8638; z = 1.9399 }, (* H2' *) + { x = 6.3877; y = -6.0809; z = 3.6362 }, (* C3' *) + { x = 5.3770; y = -5.7562; z = 3.8834 }, (* H3' *) + { x = 7.1024; y = -6.4754; z = 4.7985 }, (* O3' *) + { x = 5.2764; y = -4.2883; z = 1.2538 }, (* N1 *) + { x = 4.3777; y = -2.2062; z = 0.7229 }, (* N3 *) + { x = 5.5069; y = -2.9779; z = 0.9088 }, (* C2 *) + { x = 3.0693; y = -2.6246; z = 0.8500 }, (* C4 *) + { x = 2.9279; y = -4.0146; z = 1.2149 }, (* C5 *) + { x = 4.0101; y = -4.7892; z = 1.4017 }, (* C6 *) (C ( - ( (2.1040), (-1.7437), (0.6331)), (* N4 *) - ( (6.6267), (-2.5166), (0.7728)), (* O2 *) - ( (1.1496), (-2.0600), (0.7287)), (* H41 *) - ( (2.3303), (-0.7921), (0.3815)), (* H42 *) - ( (1.9353), (-4.4465), (1.3419)), (* H5 *) - ( (3.8895), (-5.8371), (1.6762))) (* H6 *) + { x = 2.1040; y = -1.7437; z = 0.6331 }, (* N4 *) + { x = 6.6267; y = -2.5166; z = 0.7728 }, (* O2 *) + { x = 1.1496; y = -2.0600; z = 0.7287 }, (* H41 *) + { x = 2.3303; y = -0.7921; z = 0.3815 }, (* H42 *) + { x = 1.9353; y = -4.4465; z = 1.3419 }, (* H5 *) + { x = 3.8895; y = -5.8371; z = 1.6762 }) (* H6 *) ) ) - let rC02 - = ( - ( (0.5141), (0.0246), (0.8574), (* dgf_base_tfo *) - (-0.5547), (-0.7529), (0.3542), - (0.6542), (-0.6577), (-0.3734), - (-9.1111), (-3.4598), (-3.2939)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (4.3825), (-6.6585), (4.0489)), (* C5' *) - ( (4.6841), (-7.2019), (4.9443)), (* H5' *) - ( (3.6189), (-5.8889), (4.1625)), (* H5'' *) - ( (5.6255), (-5.9175), (3.5998)), (* C4' *) - ( (5.8732), (-5.1228), (4.3034)), (* H4' *) - ( (6.7337), (-6.8605), (3.5222)), (* O4' *) - ( (7.5932), (-6.4923), (2.4548)), (* C1' *) - ( (8.5661), (-6.2983), (2.9064)), (* H1' *) - ( (7.0527), (-5.2012), (1.8322)), (* C2' *) - ( (7.1627), (-5.2525), (0.7490)), (* H2'' *) - ( (7.6666), (-4.1249), (2.4880)), (* O2' *) - ( (8.5944), (-4.2543), (2.6981)), (* H2' *) - ( (5.5661), (-5.3029), (2.2009)), (* C3' *) - ( (5.0841), (-6.0018), (1.5172)), (* H3' *) - ( (4.9062), (-4.0452), (2.2042)), (* O3' *) - ( (7.6298), (-7.6136), (1.4752)), (* N1 *) - ( (8.6945), (-8.7046), (-0.2857)), (* N3 *) - ( (8.6943), (-7.6514), (0.6066)), (* C2 *) - ( (7.7426), (-9.6987), (-0.3801)), (* C4 *) - ( (6.6642), (-9.5742), (0.5722)), (* C5 *) - ( (6.6391), (-8.5592), (1.4526)), (* C6 *) + = N( + { a=0.5141; b=0.0246; c=0.8574; (* dgf_base_tfo *) + d= -0.5547; e= -0.7529; f=0.3542; + g=0.6542; h= -0.6577; i= -0.3734; + tx= -9.1111; ty= -3.4598; tz= -3.2939 }, + { 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 = 4.3825; y = -6.6585; z = 4.0489 }, (* C5' *) + { x = 4.6841; y = -7.2019; z = 4.9443 }, (* H5' *) + { x = 3.6189; y = -5.8889; z = 4.1625 }, (* H5'' *) + { x = 5.6255; y = -5.9175; z = 3.5998 }, (* C4' *) + { x = 5.8732; y = -5.1228; z = 4.3034 }, (* H4' *) + { x = 6.7337; y = -6.8605; z = 3.5222 }, (* O4' *) + { x = 7.5932; y = -6.4923; z = 2.4548 }, (* C1' *) + { x = 8.5661; y = -6.2983; z = 2.9064 }, (* H1' *) + { x = 7.0527; y = -5.2012; z = 1.8322 }, (* C2' *) + { x = 7.1627; y = -5.2525; z = 0.7490 }, (* H2'' *) + { x = 7.6666; y = -4.1249; z = 2.4880 }, (* O2' *) + { x = 8.5944; y = -4.2543; z = 2.6981 }, (* H2' *) + { x = 5.5661; y = -5.3029; z = 2.2009 }, (* C3' *) + { x = 5.0841; y = -6.0018; z = 1.5172 }, (* H3' *) + { x = 4.9062; y = -4.0452; z = 2.2042 }, (* O3' *) + { x = 7.6298; y = -7.6136; z = 1.4752 }, (* N1 *) + { x = 8.6945; y = -8.7046; z = -0.2857 }, (* N3 *) + { x = 8.6943; y = -7.6514; z = 0.6066 }, (* C2 *) + { x = 7.7426; y = -9.6987; z = -0.3801 }, (* C4 *) + { x = 6.6642; y = -9.5742; z = 0.5722 }, (* C5 *) + { x = 6.6391; y = -8.5592; z = 1.4526 }, (* C6 *) (C ( - ( (7.9033), (-10.6371), (-1.3010)), (* N4 *) - ( (9.5840), (-6.8186), (0.6136)), (* O2 *) - ( (7.2009), (-11.3604), (-1.3619)), (* H41 *) - ( (8.7058), (-10.6168), (-1.9140)), (* H42 *) - ( (5.8585), (-10.3083), (0.5822)), (* H5 *) - ( (5.8197), (-8.4773), (2.1667))) (* H6 *) + { x = 7.9033; y = -10.6371; z = -1.3010 }, (* N4 *) + { x = 9.5840; y = -6.8186; z = 0.6136 }, (* O2 *) + { x = 7.2009; y = -11.3604; z = -1.3619 }, (* H41 *) + { x = 8.7058; y = -10.6168; z = -1.9140 }, (* H42 *) + { x = 5.8585; y = -10.3083; z = 0.5822 }, (* H5 *) + { x = 5.8197; y = -8.4773; z = 2.1667 }) (* H6 *) ) ) - let rC03 - = ( - ( (-0.4993), (0.0476), (0.8651), (* dgf_base_tfo *) - (0.8078), (-0.3353), (0.4847), - (0.3132), (0.9409), (0.1290), - (6.2989), (-5.2303), (-3.8577)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (3.9938), (-6.7042), (1.9023)), (* C5' *) - ( (3.2332), (-5.9343), (2.0319)), (* H5' *) - ( (3.9666), (-7.2863), (0.9812)), (* H5'' *) - ( (5.3098), (-5.9546), (1.8564)), (* C4' *) - ( (5.3863), (-5.3702), (0.9395)), (* H4' *) - ( (5.3851), (-5.0642), (3.0076)), (* O4' *) - ( (6.7315), (-4.9724), (3.4462)), (* C1' *) - ( (7.0033), (-3.9202), (3.3619)), (* H1' *) - ( (7.5997), (-5.8018), (2.4948)), (* C2' *) - ( (8.3627), (-6.3254), (3.0707)), (* H2'' *) - ( (8.0410), (-4.9501), (1.4724)), (* O2' *) - ( (8.2781), (-4.0644), (1.7570)), (* H2' *) - ( (6.5701), (-6.8129), (1.9714)), (* C3' *) - ( (6.4186), (-7.5809), (2.7299)), (* H3' *) - ( (6.9357), (-7.3841), (0.7235)), (* O3' *) - ( (6.8024), (-5.4718), (4.8475)), (* N1 *) - ( (7.9218), (-5.5700), (6.8877)), (* N3 *) - ( (7.8908), (-5.0886), (5.5944)), (* C2 *) - ( (6.9789), (-6.3827), (7.4823)), (* C4 *) - ( (5.8742), (-6.7319), (6.6202)), (* C5 *) - ( (5.8182), (-6.2769), (5.3570)), (* C6 *) + = N( + { a= -0.4993; b=0.0476; c=0.8651; (* dgf_base_tfo *) + d=0.8078; e= -0.3353; f=0.4847; + g=0.3132; h=0.9409; i=0.1290; + tx=6.2989; ty= -5.2303; tz= -3.8577 }, + { 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 = 3.9938; y = -6.7042; z = 1.9023 }, (* C5' *) + { x = 3.2332; y = -5.9343; z = 2.0319 }, (* H5' *) + { x = 3.9666; y = -7.2863; z = 0.9812 }, (* H5'' *) + { x = 5.3098; y = -5.9546; z = 1.8564 }, (* C4' *) + { x = 5.3863; y = -5.3702; z = 0.9395 }, (* H4' *) + { x = 5.3851; y = -5.0642; z = 3.0076 }, (* O4' *) + { x = 6.7315; y = -4.9724; z = 3.4462 }, (* C1' *) + { x = 7.0033; y = -3.9202; z = 3.3619 }, (* H1' *) + { x = 7.5997; y = -5.8018; z = 2.4948 }, (* C2' *) + { x = 8.3627; y = -6.3254; z = 3.0707 }, (* H2'' *) + { x = 8.0410; y = -4.9501; z = 1.4724 }, (* O2' *) + { x = 8.2781; y = -4.0644; z = 1.7570 }, (* H2' *) + { x = 6.5701; y = -6.8129; z = 1.9714 }, (* C3' *) + { x = 6.4186; y = -7.5809; z = 2.7299 }, (* H3' *) + { x = 6.9357; y = -7.3841; z = 0.7235 }, (* O3' *) + { x = 6.8024; y = -5.4718; z = 4.8475 }, (* N1 *) + { x = 7.9218; y = -5.5700; z = 6.8877 }, (* N3 *) + { x = 7.8908; y = -5.0886; z = 5.5944 }, (* C2 *) + { x = 6.9789; y = -6.3827; z = 7.4823 }, (* C4 *) + { x = 5.8742; y = -6.7319; z = 6.6202 }, (* C5 *) + { x = 5.8182; y = -6.2769; z = 5.3570 }, (* C6 *) (C ( - ( (7.1702), (-6.7511), (8.7402)), (* N4 *) - ( (8.7747), (-4.3728), (5.1568)), (* O2 *) - ( (6.4741), (-7.3461), (9.1662)), (* H41 *) - ( (7.9889), (-6.4396), (9.2429)), (* H42 *) - ( (5.0736), (-7.3713), (6.9922)), (* H5 *) - ( (4.9784), (-6.5473), (4.7170))) (* H6 *) + { x = 7.1702; y = -6.7511; z = 8.7402 }, (* N4 *) + { x = 8.7747; y = -4.3728; z = 5.1568 }, (* O2 *) + { x = 6.4741; y = -7.3461; z = 9.1662 }, (* H41 *) + { x = 7.9889; y = -6.4396; z = 9.2429 }, (* H42 *) + { x = 5.0736; y = -7.3713; z = 6.9922 }, (* H5 *) + { x = 4.9784; y = -6.5473; z = 4.7170 }) (* H6 *) ) ) - let rC04 - = ( - ( (-0.5669), (-0.8012), (0.1918), (* dgf_base_tfo *) - (-0.8129), (0.5817), (0.0273), - (-0.1334), (-0.1404), (-0.9811), - (-0.3279), (8.3874), (0.3355)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2416), (-8.2422), (2.8181)), (* C5' *) - ( (5.2050), (-8.8128), (1.8901)), (* H5' *) - ( (5.5368), (-8.7738), (3.7227)), (* H5'' *) - ( (6.3232), (-7.2037), (2.6002)), (* C4' *) - ( (7.3048), (-7.6757), (2.5577)), (* H4' *) - ( (6.0635), (-6.5092), (1.3456)), (* O4' *) - ( (6.4697), (-5.1547), (1.4629)), (* C1' *) - ( (7.2354), (-5.0043), (0.7018)), (* H1' *) - ( (7.0856), (-4.9610), (2.8521)), (* C2' *) - ( (6.7777), (-3.9935), (3.2487)), (* H2'' *) - ( (8.4627), (-5.1992), (2.7423)), (* O2' *) - ( (8.8693), (-4.8638), (1.9399)), (* H2' *) - ( (6.3877), (-6.0809), (3.6362)), (* C3' *) - ( (5.3770), (-5.7562), (3.8834)), (* H3' *) - ( (7.1024), (-6.4754), (4.7985)), (* O3' *) - ( (5.2764), (-4.2883), (1.2538)), (* N1 *) - ( (3.8961), (-3.0896), (-0.1893)), (* N3 *) - ( (5.0095), (-3.8907), (-0.0346)), (* C2 *) - ( (3.0480), (-2.6632), (0.8116)), (* C4 *) - ( (3.4093), (-3.1310), (2.1292)), (* C5 *) - ( (4.4878), (-3.9124), (2.3088)), (* C6 *) + = N( + { a= -0.5669; b= -0.8012; c=0.1918; (* dgf_base_tfo *) + d= -0.8129; e=0.5817; f=0.0273; + g= -0.1334; h= -0.1404; i= -0.9811; + tx= -0.3279; ty=8.3874; tz=0.3355 }, + { 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 = 5.2416; y = -8.2422; z = 2.8181 }, (* C5' *) + { x = 5.2050; y = -8.8128; z = 1.8901 }, (* H5' *) + { x = 5.5368; y = -8.7738; z = 3.7227 }, (* H5'' *) + { x = 6.3232; y = -7.2037; z = 2.6002 }, (* C4' *) + { x = 7.3048; y = -7.6757; z = 2.5577 }, (* H4' *) + { x = 6.0635; y = -6.5092; z = 1.3456 }, (* O4' *) + { x = 6.4697; y = -5.1547; z = 1.4629 }, (* C1' *) + { x = 7.2354; y = -5.0043; z = 0.7018 }, (* H1' *) + { x = 7.0856; y = -4.9610; z = 2.8521 }, (* C2' *) + { x = 6.7777; y = -3.9935; z = 3.2487 }, (* H2'' *) + { x = 8.4627; y = -5.1992; z = 2.7423 }, (* O2' *) + { x = 8.8693; y = -4.8638; z = 1.9399 }, (* H2' *) + { x = 6.3877; y = -6.0809; z = 3.6362 }, (* C3' *) + { x = 5.3770; y = -5.7562; z = 3.8834 }, (* H3' *) + { x = 7.1024; y = -6.4754; z = 4.7985 }, (* O3' *) + { x = 5.2764; y = -4.2883; z = 1.2538 }, (* N1 *) + { x = 3.8961; y = -3.0896; z = -0.1893 }, (* N3 *) + { x = 5.0095; y = -3.8907; z = -0.0346 }, (* C2 *) + { x = 3.0480; y = -2.6632; z = 0.8116 }, (* C4 *) + { x = 3.4093; y = -3.1310; z = 2.1292 }, (* C5 *) + { x = 4.4878; y = -3.9124; z = 2.3088 }, (* C6 *) (C ( - ( (2.0216), (-1.8941), (0.4804)), (* N4 *) - ( (5.7005), (-4.2164), (-0.9842)), (* O2 *) - ( (1.4067), (-1.5873), (1.2205)), (* H41 *) - ( (1.8721), (-1.6319), (-0.4835)), (* H42 *) - ( (2.8048), (-2.8507), (2.9918)), (* H5 *) - ( (4.7491), (-4.2593), (3.3085))) (* H6 *) + { x = 2.0216; y = -1.8941; z = 0.4804 }, (* N4 *) + { x = 5.7005; y = -4.2164; z = -0.9842 }, (* O2 *) + { x = 1.4067; y = -1.5873; z = 1.2205 }, (* H41 *) + { x = 1.8721; y = -1.6319; z = -0.4835 }, (* H42 *) + { x = 2.8048; y = -2.8507; z = 2.9918 }, (* H5 *) + { x = 4.7491; y = -4.2593; z = 3.3085 }) (* H6 *) ) ) - let rC05 - = ( - ( (-0.6298), (0.0246), (0.7763), (* dgf_base_tfo *) - (-0.5226), (-0.7529), (-0.4001), - (0.5746), (-0.6577), (0.4870), - (-0.0208), (-3.4598), (-9.6882)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (4.3825), (-6.6585), (4.0489)), (* C5' *) - ( (4.6841), (-7.2019), (4.9443)), (* H5' *) - ( (3.6189), (-5.8889), (4.1625)), (* H5'' *) - ( (5.6255), (-5.9175), (3.5998)), (* C4' *) - ( (5.8732), (-5.1228), (4.3034)), (* H4' *) - ( (6.7337), (-6.8605), (3.5222)), (* O4' *) - ( (7.5932), (-6.4923), (2.4548)), (* C1' *) - ( (8.5661), (-6.2983), (2.9064)), (* H1' *) - ( (7.0527), (-5.2012), (1.8322)), (* C2' *) - ( (7.1627), (-5.2525), (0.7490)), (* H2'' *) - ( (7.6666), (-4.1249), (2.4880)), (* O2' *) - ( (8.5944), (-4.2543), (2.6981)), (* H2' *) - ( (5.5661), (-5.3029), (2.2009)), (* C3' *) - ( (5.0841), (-6.0018), (1.5172)), (* H3' *) - ( (4.9062), (-4.0452), (2.2042)), (* O3' *) - ( (7.6298), (-7.6136), (1.4752)), (* N1 *) - ( (8.5977), (-9.5977), (0.7329)), (* N3 *) - ( (8.5951), (-8.5745), (1.6594)), (* C2 *) - ( (7.7372), (-9.7371), (-0.3364)), (* C4 *) - ( (6.7596), (-8.6801), (-0.4476)), (* C5 *) - ( (6.7338), (-7.6721), (0.4408)), (* C6 *) + = N( + { a= -0.6298; b=0.0246; c=0.7763; (* dgf_base_tfo *) + d= -0.5226; e= -0.7529; f= -0.4001; + g=0.5746; h= -0.6577; i=0.4870; + tx= -0.0208; ty= -3.4598; tz= -9.6882 }, + { 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 = 4.3825; y = -6.6585; z = 4.0489 }, (* C5' *) + { x = 4.6841; y = -7.2019; z = 4.9443 }, (* H5' *) + { x = 3.6189; y = -5.8889; z = 4.1625 }, (* H5'' *) + { x = 5.6255; y = -5.9175; z = 3.5998 }, (* C4' *) + { x = 5.8732; y = -5.1228; z = 4.3034 }, (* H4' *) + { x = 6.7337; y = -6.8605; z = 3.5222 }, (* O4' *) + { x = 7.5932; y = -6.4923; z = 2.4548 }, (* C1' *) + { x = 8.5661; y = -6.2983; z = 2.9064 }, (* H1' *) + { x = 7.0527; y = -5.2012; z = 1.8322 }, (* C2' *) + { x = 7.1627; y = -5.2525; z = 0.7490 }, (* H2'' *) + { x = 7.6666; y = -4.1249; z = 2.4880 }, (* O2' *) + { x = 8.5944; y = -4.2543; z = 2.6981 }, (* H2' *) + { x = 5.5661; y = -5.3029; z = 2.2009 }, (* C3' *) + { x = 5.0841; y = -6.0018; z = 1.5172 }, (* H3' *) + { x = 4.9062; y = -4.0452; z = 2.2042 }, (* O3' *) + { x = 7.6298; y = -7.6136; z = 1.4752 }, (* N1 *) + { x = 8.5977; y = -9.5977; z = 0.7329 }, (* N3 *) + { x = 8.5951; y = -8.5745; z = 1.6594 }, (* C2 *) + { x = 7.7372; y = -9.7371; z = -0.3364 }, (* C4 *) + { x = 6.7596; y = -8.6801; z = -0.4476 }, (* C5 *) + { x = 6.7338; y = -7.6721; z = 0.4408 }, (* C6 *) (C ( - ( (7.8849), (-10.7881), (-1.1289)), (* N4 *) - ( (9.3993), (-8.5377), (2.5743)), (* O2 *) - ( (7.2499), (-10.8809), (-1.9088)), (* H41 *) - ( (8.6122), (-11.4649), (-0.9468)), (* H42 *) - ( (6.0317), (-8.6941), (-1.2588)), (* H5 *) - ( (5.9901), (-6.8809), (0.3459))) (* H6 *) + { x = 7.8849; y = -10.7881; z = -1.1289 }, (* N4 *) + { x = 9.3993; y = -8.5377; z = 2.5743 }, (* O2 *) + { x = 7.2499; y = -10.8809; z = -1.9088 }, (* H41 *) + { x = 8.6122; y = -11.4649; z = -0.9468 }, (* H42 *) + { x = 6.0317; y = -8.6941; z = -1.2588 }, (* H5 *) + { x = 5.9901; y = -6.8809; z = 0.3459 }) (* H6 *) ) ) - let rC06 - = ( - ( (-0.9837), (0.0476), (-0.1733), (* dgf_base_tfo *) - (-0.1792), (-0.3353), (0.9249), - (-0.0141), (0.9409), (0.3384), - (5.7793), (-5.2303), (4.5997)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (3.9938), (-6.7042), (1.9023)), (* C5' *) - ( (3.2332), (-5.9343), (2.0319)), (* H5' *) - ( (3.9666), (-7.2863), (0.9812)), (* H5'' *) - ( (5.3098), (-5.9546), (1.8564)), (* C4' *) - ( (5.3863), (-5.3702), (0.9395)), (* H4' *) - ( (5.3851), (-5.0642), (3.0076)), (* O4' *) - ( (6.7315), (-4.9724), (3.4462)), (* C1' *) - ( (7.0033), (-3.9202), (3.3619)), (* H1' *) - ( (7.5997), (-5.8018), (2.4948)), (* C2' *) - ( (8.3627), (-6.3254), (3.0707)), (* H2'' *) - ( (8.0410), (-4.9501), (1.4724)), (* O2' *) - ( (8.2781), (-4.0644), (1.7570)), (* H2' *) - ( (6.5701), (-6.8129), (1.9714)), (* C3' *) - ( (6.4186), (-7.5809), (2.7299)), (* H3' *) - ( (6.9357), (-7.3841), (0.7235)), (* O3' *) - ( (6.8024), (-5.4718), (4.8475)), (* N1 *) - ( (6.6920), (-5.0495), (7.1354)), (* N3 *) - ( (6.6201), (-4.5500), (5.8506)), (* C2 *) - ( (6.9254), (-6.3614), (7.4926)), (* C4 *) - ( (7.1046), (-7.2543), (6.3718)), (* C5 *) - ( (7.0391), (-6.7951), (5.1106)), (* C6 *) + = N( + { a= -0.9837; b=0.0476; c= -0.1733; (* dgf_base_tfo *) + d= -0.1792; e= -0.3353; f=0.9249; + g= -0.0141; h=0.9409; i=0.3384; + tx=5.7793; ty= -5.2303; tz=4.5997 }, + { 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 = 3.9938; y = -6.7042; z = 1.9023 }, (* C5' *) + { x = 3.2332; y = -5.9343; z = 2.0319 }, (* H5' *) + { x = 3.9666; y = -7.2863; z = 0.9812 }, (* H5'' *) + { x = 5.3098; y = -5.9546; z = 1.8564 }, (* C4' *) + { x = 5.3863; y = -5.3702; z = 0.9395 }, (* H4' *) + { x = 5.3851; y = -5.0642; z = 3.0076 }, (* O4' *) + { x = 6.7315; y = -4.9724; z = 3.4462 }, (* C1' *) + { x = 7.0033; y = -3.9202; z = 3.3619 }, (* H1' *) + { x = 7.5997; y = -5.8018; z = 2.4948 }, (* C2' *) + { x = 8.3627; y = -6.3254; z = 3.0707 }, (* H2'' *) + { x = 8.0410; y = -4.9501; z = 1.4724 }, (* O2' *) + { x = 8.2781; y = -4.0644; z = 1.7570 }, (* H2' *) + { x = 6.5701; y = -6.8129; z = 1.9714 }, (* C3' *) + { x = 6.4186; y = -7.5809; z = 2.7299 }, (* H3' *) + { x = 6.9357; y = -7.3841; z = 0.7235 }, (* O3' *) + { x = 6.8024; y = -5.4718; z = 4.8475 }, (* N1 *) + { x = 6.6920; y = -5.0495; z = 7.1354 }, (* N3 *) + { x = 6.6201; y = -4.5500; z = 5.8506 }, (* C2 *) + { x = 6.9254; y = -6.3614; z = 7.4926 }, (* C4 *) + { x = 7.1046; y = -7.2543; z = 6.3718 }, (* C5 *) + { x = 7.0391; y = -6.7951; z = 5.1106 }, (* C6 *) (C ( - ( (6.9614), (-6.6648), (8.7815)), (* N4 *) - ( (6.4083), (-3.3696), (5.6340)), (* O2 *) - ( (7.1329), (-7.6280), (9.0324)), (* H41 *) - ( (6.8204), (-5.9469), (9.4777)), (* H42 *) - ( (7.2954), (-8.3135), (6.5440)), (* H5 *) - ( (7.1753), (-7.4798), (4.2735))) (* H6 *) + { x = 6.9614; y = -6.6648; z = 8.7815 }, (* N4 *) + { x = 6.4083; y = -3.3696; z = 5.6340 }, (* O2 *) + { x = 7.1329; y = -7.6280; z = 9.0324 }, (* H41 *) + { x = 6.8204; y = -5.9469; z = 9.4777 }, (* H42 *) + { x = 7.2954; y = -8.3135; z = 6.5440 }, (* H5 *) + { x = 7.1753; y = -7.4798; z = 4.2735 }) (* H6 *) ) ) - let rC07 - = ( - ( (0.0033), (0.2720), (-0.9623), (* dgf_base_tfo *) - (0.3013), (-0.9179), (-0.2584), - (-0.9535), (-0.2891), (-0.0850), - (43.0403), (13.7233), (34.5710)), - ( (0.9187), (0.2887), (0.2694), (* P_O3'_275_tfo *) - (0.0302), (-0.7316), (0.6811), - (0.3938), (-0.6176), (-0.6808), - (-48.4330), (26.3254), (13.6383)), - ( (-0.1504), (0.7744), (-0.6145), (* P_O3'_180_tfo *) - (0.7581), (0.4893), (0.4311), - (0.6345), (-0.4010), (-0.6607), - (-31.9784), (-13.4285), (44.9650)), - ( (-0.6236), (-0.7810), (-0.0337), (* P_O3'_60_tfo *) - (-0.6890), (0.5694), (-0.4484), - (0.3694), (-0.2564), (-0.8932), - (12.1105), (30.8774), (46.0946)), - ( (33.3400), (11.0980), (46.1750)), (* P *) - ( (34.5130), (10.2320), (46.4660)), (* O1P *) - ( (33.4130), (12.3960), (46.9340)), (* O2P *) - ( (31.9810), (10.3390), (46.4820)), (* O5' *) - ( (30.8152), (11.1619), (46.2003)), (* C5' *) - ( (30.4519), (10.9454), (45.1957)), (* H5' *) - ( (31.0379), (12.2016), (46.4400)), (* H5'' *) - ( (29.7081), (10.7448), (47.1428)), (* C4' *) - ( (28.8710), (11.4416), (47.0982)), (* H4' *) - ( (29.2550), (9.4394), (46.8162)), (* O4' *) - ( (29.3907), (8.5625), (47.9460)), (* C1' *) - ( (28.4416), (8.5669), (48.4819)), (* H1' *) - ( (30.4468), (9.2031), (48.7952)), (* C2' *) - ( (31.4222), (8.9651), (48.3709)), (* H2'' *) - ( (30.3701), (8.9157), (50.1624)), (* O2' *) - ( (30.0652), (8.0304), (50.3740)), (* H2' *) - ( (30.1622), (10.6879), (48.6120)), (* C3' *) - ( (31.0952), (11.2399), (48.7254)), (* H3' *) - ( (29.1076), (11.1535), (49.4702)), (* O3' *) - ( (29.7883), (7.2209), (47.5235)), (* N1 *) - ( (29.1825), (5.0438), (46.8275)), (* N3 *) - ( (28.8008), (6.2912), (47.2263)), (* C2 *) - ( (30.4888), (4.6890), (46.7186)), (* C4 *) - ( (31.5034), (5.6405), (47.0249)), (* C5 *) - ( (31.1091), (6.8691), (47.4156)), (* C6 *) + = N( + { a=0.0033; b=0.2720; c= -0.9623; (* dgf_base_tfo *) + d=0.3013; e= -0.9179; f= -0.2584; + g= -0.9535; h= -0.2891; i= -0.0850; + tx=43.0403; ty=13.7233; tz=34.5710 }, + { a=0.9187; b=0.2887; c=0.2694; (* P_O3'_275_tfo *) + d=0.0302; e= -0.7316; f=0.6811; + g=0.3938; h= -0.6176; i= -0.6808; + tx= -48.4330; ty=26.3254; tz=13.6383 }, + { a= -0.1504; b=0.7744; c= -0.6145; (* P_O3'_180_tfo *) + d=0.7581; e=0.4893; f=0.4311; + g=0.6345; h= -0.4010; i= -0.6607; + tx= -31.9784; ty= -13.4285; tz=44.9650 }, + { a= -0.6236; b= -0.7810; c= -0.0337; (* P_O3'_60_tfo *) + d= -0.6890; e=0.5694; f= -0.4484; + g=0.3694; h= -0.2564; i= -0.8932; + tx=12.1105; ty=30.8774; tz=46.0946 }, + { x = 33.3400; y = 11.0980; z = 46.1750 }, (* P *) + { x = 34.5130; y = 10.2320; z = 46.4660 }, (* O1P *) + { x = 33.4130; y = 12.3960; z = 46.9340 }, (* O2P *) + { x = 31.9810; y = 10.3390; z = 46.4820 }, (* O5' *) + { x = 30.8152; y = 11.1619; z = 46.2003 }, (* C5' *) + { x = 30.4519; y = 10.9454; z = 45.1957 }, (* H5' *) + { x = 31.0379; y = 12.2016; z = 46.4400 }, (* H5'' *) + { x = 29.7081; y = 10.7448; z = 47.1428 }, (* C4' *) + { x = 28.8710; y = 11.4416; z = 47.0982 }, (* H4' *) + { x = 29.2550; y = 9.4394; z = 46.8162 }, (* O4' *) + { x = 29.3907; y = 8.5625; z = 47.9460 }, (* C1' *) + { x = 28.4416; y = 8.5669; z = 48.4819 }, (* H1' *) + { x = 30.4468; y = 9.2031; z = 48.7952 }, (* C2' *) + { x = 31.4222; y = 8.9651; z = 48.3709 }, (* H2'' *) + { x = 30.3701; y = 8.9157; z = 50.1624 }, (* O2' *) + { x = 30.0652; y = 8.0304; z = 50.3740 }, (* H2' *) + { x = 30.1622; y = 10.6879; z = 48.6120 }, (* C3' *) + { x = 31.0952; y = 11.2399; z = 48.7254 }, (* H3' *) + { x = 29.1076; y = 11.1535; z = 49.4702 }, (* O3' *) + { x = 29.7883; y = 7.2209; z = 47.5235 }, (* N1 *) + { x = 29.1825; y = 5.0438; z = 46.8275 }, (* N3 *) + { x = 28.8008; y = 6.2912; z = 47.2263 }, (* C2 *) + { x = 30.4888; y = 4.6890; z = 46.7186 }, (* C4 *) + { x = 31.5034; y = 5.6405; z = 47.0249 }, (* C5 *) + { x = 31.1091; y = 6.8691; z = 47.4156 }, (* C6 *) (C ( - ( (30.8109), (3.4584), (46.3336)), (* N4 *) - ( (27.6171), (6.5989), (47.3189)), (* O2 *) - ( (31.7923), (3.2301), (46.2638)), (* H41 *) - ( (30.0880), (2.7857), (46.1215)), (* H42 *) - ( (32.5542), (5.3634), (46.9395)), (* H5 *) - ( (31.8523), (7.6279), (47.6603))) (* H6 *) + { x = 30.8109; y = 3.4584; z = 46.3336 }, (* N4 *) + { x = 27.6171; y = 6.5989; z = 47.3189 }, (* O2 *) + { x = 31.7923; y = 3.2301; z = 46.2638 }, (* H41 *) + { x = 30.0880; y = 2.7857; z = 46.1215 }, (* H42 *) + { x = 32.5542; y = 5.3634; z = 46.9395 }, (* H5 *) + { x = 31.8523; y = 7.6279; z = 47.6603 }) (* H6 *) ) ) - let rC08 - = ( - ( (0.0797), (-0.6026), (-0.7941), (* dgf_base_tfo *) - (0.7939), (0.5201), (-0.3150), - (0.6028), (-0.6054), (0.5198), - (-36.8341), (41.5293), (1.6628)), - ( (0.9187), (0.2887), (0.2694), (* P_O3'_275_tfo *) - (0.0302), (-0.7316), (0.6811), - (0.3938), (-0.6176), (-0.6808), - (-48.4330), (26.3254), (13.6383)), - ( (-0.1504), (0.7744), (-0.6145), (* P_O3'_180_tfo *) - (0.7581), (0.4893), (0.4311), - (0.6345), (-0.4010), (-0.6607), - (-31.9784), (-13.4285), (44.9650)), - ( (-0.6236), (-0.7810), (-0.0337), (* P_O3'_60_tfo *) - (-0.6890), (0.5694), (-0.4484), - (0.3694), (-0.2564), (-0.8932), - (12.1105), (30.8774), (46.0946)), - ( (33.3400), (11.0980), (46.1750)), (* P *) - ( (34.5130), (10.2320), (46.4660)), (* O1P *) - ( (33.4130), (12.3960), (46.9340)), (* O2P *) - ( (31.9810), (10.3390), (46.4820)), (* O5' *) - ( (31.8779), (9.9369), (47.8760)), (* C5' *) - ( (31.3239), (10.6931), (48.4322)), (* H5' *) - ( (32.8647), (9.6624), (48.2489)), (* H5'' *) - ( (31.0429), (8.6773), (47.9401)), (* C4' *) - ( (31.0779), (8.2331), (48.9349)), (* H4' *) - ( (29.6956), (8.9669), (47.5983)), (* O4' *) - ( (29.2784), (8.1700), (46.4782)), (* C1' *) - ( (28.8006), (7.2731), (46.8722)), (* H1' *) - ( (30.5544), (7.7940), (45.7875)), (* C2' *) - ( (30.8837), (8.6410), (45.1856)), (* H2'' *) - ( (30.5100), (6.6007), (45.0582)), (* O2' *) - ( (29.6694), (6.4168), (44.6326)), (* H2' *) - ( (31.5146), (7.5954), (46.9527)), (* C3' *) - ( (32.5255), (7.8261), (46.6166)), (* H3' *) - ( (31.3876), (6.2951), (47.5516)), (* O3' *) - ( (28.3976), (8.9302), (45.5933)), (* N1 *) - ( (26.2155), (9.6135), (44.9910)), (* N3 *) - ( (27.0281), (8.8961), (45.8192)), (* C2 *) - ( (26.7044), (10.3489), (43.9595)), (* C4 *) - ( (28.1088), (10.3837), (43.7247)), (* C5 *) - ( (28.8978), (9.6708), (44.5535)), (* C6 *) + = N( + { a=0.0797; b= -0.6026; c= -0.7941; (* dgf_base_tfo *) + d=0.7939; e=0.5201; f= -0.3150; + g=0.6028; h= -0.6054; i=0.5198; + tx= -36.8341; ty=41.5293; tz=1.6628 }, + { a=0.9187; b=0.2887; c=0.2694; (* P_O3'_275_tfo *) + d=0.0302; e= -0.7316; f=0.6811; + g=0.3938; h= -0.6176; i= -0.6808; + tx= -48.4330; ty=26.3254; tz=13.6383 }, + { a= -0.1504; b=0.7744; c= -0.6145; (* P_O3'_180_tfo *) + d=0.7581; e=0.4893; f=0.4311; + g=0.6345; h= -0.4010; i= -0.6607; + tx= -31.9784; ty= -13.4285; tz=44.9650 }, + { a= -0.6236; b= -0.7810; c= -0.0337; (* P_O3'_60_tfo *) + d= -0.6890; e=0.5694; f= -0.4484; + g=0.3694; h= -0.2564; i= -0.8932; + tx=12.1105; ty=30.8774; tz=46.0946 }, + { x = 33.3400; y = 11.0980; z = 46.1750 }, (* P *) + { x = 34.5130; y = 10.2320; z = 46.4660 }, (* O1P *) + { x = 33.4130; y = 12.3960; z = 46.9340 }, (* O2P *) + { x = 31.9810; y = 10.3390; z = 46.4820 }, (* O5' *) + { x = 31.8779; y = 9.9369; z = 47.8760 }, (* C5' *) + { x = 31.3239; y = 10.6931; z = 48.4322 }, (* H5' *) + { x = 32.8647; y = 9.6624; z = 48.2489 }, (* H5'' *) + { x = 31.0429; y = 8.6773; z = 47.9401 }, (* C4' *) + { x = 31.0779; y = 8.2331; z = 48.9349 }, (* H4' *) + { x = 29.6956; y = 8.9669; z = 47.5983 }, (* O4' *) + { x = 29.2784; y = 8.1700; z = 46.4782 }, (* C1' *) + { x = 28.8006; y = 7.2731; z = 46.8722 }, (* H1' *) + { x = 30.5544; y = 7.7940; z = 45.7875 }, (* C2' *) + { x = 30.8837; y = 8.6410; z = 45.1856 }, (* H2'' *) + { x = 30.5100; y = 6.6007; z = 45.0582 }, (* O2' *) + { x = 29.6694; y = 6.4168; z = 44.6326 }, (* H2' *) + { x = 31.5146; y = 7.5954; z = 46.9527 }, (* C3' *) + { x = 32.5255; y = 7.8261; z = 46.6166 }, (* H3' *) + { x = 31.3876; y = 6.2951; z = 47.5516 }, (* O3' *) + { x = 28.3976; y = 8.9302; z = 45.5933 }, (* N1 *) + { x = 26.2155; y = 9.6135; z = 44.9910 }, (* N3 *) + { x = 27.0281; y = 8.8961; z = 45.8192 }, (* C2 *) + { x = 26.7044; y = 10.3489; z = 43.9595 }, (* C4 *) + { x = 28.1088; y = 10.3837; z = 43.7247 }, (* C5 *) + { x = 28.8978; y = 9.6708; z = 44.5535 }, (* C6 *) (C ( - ( (25.8715), (11.0249), (43.1749)), (* N4 *) - ( (26.5733), (8.2371), (46.7484)), (* O2 *) - ( (26.2707), (11.5609), (42.4177)), (* H41 *) - ( (24.8760), (10.9939), (43.3427)), (* H42 *) - ( (28.5089), (10.9722), (42.8990)), (* H5 *) - ( (29.9782), (9.6687), (44.4097))) (* H6 *) + { x = 25.8715; y = 11.0249; z = 43.1749 }, (* N4 *) + { x = 26.5733; y = 8.2371; z = 46.7484 }, (* O2 *) + { x = 26.2707; y = 11.5609; z = 42.4177 }, (* H41 *) + { x = 24.8760; y = 10.9939; z = 43.3427 }, (* H42 *) + { x = 28.5089; y = 10.9722; z = 42.8990 }, (* H5 *) + { x = 29.9782; y = 9.6687; z = 44.4097 }) (* H6 *) ) ) - let rC09 - = ( - ( (0.8727), (0.4760), (-0.1091), (* dgf_base_tfo *) - (-0.4188), (0.6148), (-0.6682), - (-0.2510), (0.6289), (0.7359), - (-8.1687), (-52.0761), (-25.0726)), - ( (0.9187), (0.2887), (0.2694), (* P_O3'_275_tfo *) - (0.0302), (-0.7316), (0.6811), - (0.3938), (-0.6176), (-0.6808), - (-48.4330), (26.3254), (13.6383)), - ( (-0.1504), (0.7744), (-0.6145), (* P_O3'_180_tfo *) - (0.7581), (0.4893), (0.4311), - (0.6345), (-0.4010), (-0.6607), - (-31.9784), (-13.4285), (44.9650)), - ( (-0.6236), (-0.7810), (-0.0337), (* P_O3'_60_tfo *) - (-0.6890), (0.5694), (-0.4484), - (0.3694), (-0.2564), (-0.8932), - (12.1105), (30.8774), (46.0946)), - ( (33.3400), (11.0980), (46.1750)), (* P *) - ( (34.5130), (10.2320), (46.4660)), (* O1P *) - ( (33.4130), (12.3960), (46.9340)), (* O2P *) - ( (31.9810), (10.3390), (46.4820)), (* O5' *) - ( (30.8152), (11.1619), (46.2003)), (* C5' *) - ( (30.4519), (10.9454), (45.1957)), (* H5' *) - ( (31.0379), (12.2016), (46.4400)), (* H5'' *) - ( (29.7081), (10.7448), (47.1428)), (* C4' *) - ( (29.4506), (9.6945), (47.0059)), (* H4' *) - ( (30.1045), (10.9634), (48.4885)), (* O4' *) - ( (29.1794), (11.8418), (49.1490)), (* C1' *) - ( (28.4388), (11.2210), (49.6533)), (* H1' *) - ( (28.5211), (12.6008), (48.0367)), (* C2' *) - ( (29.1947), (13.3949), (47.7147)), (* H2'' *) - ( (27.2316), (13.0683), (48.3134)), (* O2' *) - ( (27.0851), (13.3391), (49.2227)), (* H2' *) - ( (28.4131), (11.5507), (46.9391)), (* C3' *) - ( (28.4451), (12.0512), (45.9713)), (* H3' *) - ( (27.2707), (10.6955), (47.1097)), (* O3' *) - ( (29.8751), (12.7405), (50.0682)), (* N1 *) - ( (30.7172), (13.1841), (52.2328)), (* N3 *) - ( (30.0617), (12.3404), (51.3847)), (* C2 *) - ( (31.1834), (14.3941), (51.8297)), (* C4 *) - ( (30.9913), (14.8074), (50.4803)), (* C5 *) - ( (30.3434), (13.9610), (49.6548)), (* C6 *) + = N( + { a=0.8727; b=0.4760; c= -0.1091; (* dgf_base_tfo *) + d= -0.4188; e=0.6148; f= -0.6682; + g= -0.2510; h=0.6289; i=0.7359; + tx= -8.1687; ty= -52.0761; tz= -25.0726 }, + { a=0.9187; b=0.2887; c=0.2694; (* P_O3'_275_tfo *) + d=0.0302; e= -0.7316; f=0.6811; + g=0.3938; h= -0.6176; i= -0.6808; + tx= -48.4330; ty=26.3254; tz=13.6383 }, + { a= -0.1504; b=0.7744; c= -0.6145; (* P_O3'_180_tfo *) + d=0.7581; e=0.4893; f=0.4311; + g=0.6345; h= -0.4010; i= -0.6607; + tx= -31.9784; ty= -13.4285; tz=44.9650 }, + { a= -0.6236; b= -0.7810; c= -0.0337; (* P_O3'_60_tfo *) + d= -0.6890; e=0.5694; f= -0.4484; + g=0.3694; h= -0.2564; i= -0.8932; + tx=12.1105; ty=30.8774; tz=46.0946 }, + { x = 33.3400; y = 11.0980; z = 46.1750 }, (* P *) + { x = 34.5130; y = 10.2320; z = 46.4660 }, (* O1P *) + { x = 33.4130; y = 12.3960; z = 46.9340 }, (* O2P *) + { x = 31.9810; y = 10.3390; z = 46.4820 }, (* O5' *) + { x = 30.8152; y = 11.1619; z = 46.2003 }, (* C5' *) + { x = 30.4519; y = 10.9454; z = 45.1957 }, (* H5' *) + { x = 31.0379; y = 12.2016; z = 46.4400 }, (* H5'' *) + { x = 29.7081; y = 10.7448; z = 47.1428 }, (* C4' *) + { x = 29.4506; y = 9.6945; z = 47.0059 }, (* H4' *) + { x = 30.1045; y = 10.9634; z = 48.4885 }, (* O4' *) + { x = 29.1794; y = 11.8418; z = 49.1490 }, (* C1' *) + { x = 28.4388; y = 11.2210; z = 49.6533 }, (* H1' *) + { x = 28.5211; y = 12.6008; z = 48.0367 }, (* C2' *) + { x = 29.1947; y = 13.3949; z = 47.7147 }, (* H2'' *) + { x = 27.2316; y = 13.0683; z = 48.3134 }, (* O2' *) + { x = 27.0851; y = 13.3391; z = 49.2227 }, (* H2' *) + { x = 28.4131; y = 11.5507; z = 46.9391 }, (* C3' *) + { x = 28.4451; y = 12.0512; z = 45.9713 }, (* H3' *) + { x = 27.2707; y = 10.6955; z = 47.1097 }, (* O3' *) + { x = 29.8751; y = 12.7405; z = 50.0682 }, (* N1 *) + { x = 30.7172; y = 13.1841; z = 52.2328 }, (* N3 *) + { x = 30.0617; y = 12.3404; z = 51.3847 }, (* C2 *) + { x = 31.1834; y = 14.3941; z = 51.8297 }, (* C4 *) + { x = 30.9913; y = 14.8074; z = 50.4803 }, (* C5 *) + { x = 30.3434; y = 13.9610; z = 49.6548 }, (* C6 *) (C ( - ( (31.8090), (15.1847), (52.6957)), (* N4 *) - ( (29.6470), (11.2494), (51.7616)), (* O2 *) - ( (32.1422), (16.0774), (52.3606)), (* H41 *) - ( (31.9392), (14.8893), (53.6527)), (* H42 *) - ( (31.3632), (15.7771), (50.1491)), (* H5 *) - ( (30.1742), (14.2374), (48.6141))) (* H6 *) + { x = 31.8090; y = 15.1847; z = 52.6957 }, (* N4 *) + { x = 29.6470; y = 11.2494; z = 51.7616 }, (* O2 *) + { x = 32.1422; y = 16.0774; z = 52.3606 }, (* H41 *) + { x = 31.9392; y = 14.8893; z = 53.6527 }, (* H42 *) + { x = 31.3632; y = 15.7771; z = 50.1491 }, (* H5 *) + { x = 30.1742; y = 14.2374; z = 48.6141 }) (* H6 *) ) ) - let rC10 - = ( - ( (0.1549), (0.8710), (-0.4663), (* dgf_base_tfo *) - (0.6768), (-0.4374), (-0.5921), - (-0.7197), (-0.2239), (-0.6572), - (25.2447), (-14.1920), (50.3201)), - ( (0.9187), (0.2887), (0.2694), (* P_O3'_275_tfo *) - (0.0302), (-0.7316), (0.6811), - (0.3938), (-0.6176), (-0.6808), - (-48.4330), (26.3254), (13.6383)), - ( (-0.1504), (0.7744), (-0.6145), (* P_O3'_180_tfo *) - (0.7581), (0.4893), (0.4311), - (0.6345), (-0.4010), (-0.6607), - (-31.9784), (-13.4285), (44.9650)), - ( (-0.6236), (-0.7810), (-0.0337), (* P_O3'_60_tfo *) - (-0.6890), (0.5694), (-0.4484), - (0.3694), (-0.2564), (-0.8932), - (12.1105), (30.8774), (46.0946)), - ( (33.3400), (11.0980), (46.1750)), (* P *) - ( (34.5130), (10.2320), (46.4660)), (* O1P *) - ( (33.4130), (12.3960), (46.9340)), (* O2P *) - ( (31.9810), (10.3390), (46.4820)), (* O5' *) - ( (31.8779), (9.9369), (47.8760)), (* C5' *) - ( (31.3239), (10.6931), (48.4322)), (* H5' *) - ( (32.8647), (9.6624), (48.2489)), (* H5'' *) - ( (31.0429), (8.6773), (47.9401)), (* C4' *) - ( (30.0440), (8.8473), (47.5383)), (* H4' *) - ( (31.6749), (7.6351), (47.2119)), (* O4' *) - ( (31.9159), (6.5022), (48.0616)), (* C1' *) - ( (31.0691), (5.8243), (47.9544)), (* H1' *) - ( (31.9300), (7.0685), (49.4493)), (* C2' *) - ( (32.9024), (7.5288), (49.6245)), (* H2'' *) - ( (31.5672), (6.1750), (50.4632)), (* O2' *) - ( (31.8416), (5.2663), (50.3200)), (* H2' *) - ( (30.8618), (8.1514), (49.3749)), (* C3' *) - ( (31.1122), (8.9396), (50.0850)), (* H3' *) - ( (29.5351), (7.6245), (49.5409)), (* O3' *) - ( (33.1890), (5.8629), (47.7343)), (* N1 *) - ( (34.4004), (4.2636), (46.4828)), (* N3 *) - ( (33.2062), (4.8497), (46.7851)), (* C2 *) - ( (35.5600), (4.6374), (47.0822)), (* C4 *) - ( (35.5444), (5.6751), (48.0577)), (* C5 *) - ( (34.3565), (6.2450), (48.3432)), (* C6 *) + = N( + { a=0.1549; b=0.8710; c= -0.4663; (* dgf_base_tfo *) + d=0.6768; e= -0.4374; f= -0.5921; + g= -0.7197; h= -0.2239; i= -0.6572; + tx=25.2447; ty= -14.1920; tz=50.3201 }, + { a=0.9187; b=0.2887; c=0.2694; (* P_O3'_275_tfo *) + d=0.0302; e= -0.7316; f=0.6811; + g=0.3938; h= -0.6176; i= -0.6808; + tx= -48.4330; ty=26.3254; tz=13.6383 }, + { a= -0.1504; b=0.7744; c= -0.6145; (* P_O3'_180_tfo *) + d=0.7581; e=0.4893; f=0.4311; + g=0.6345; h= -0.4010; i= -0.6607; + tx= -31.9784; ty= -13.4285; tz=44.9650 }, + { a= -0.6236; b= -0.7810; c= -0.0337; (* P_O3'_60_tfo *) + d= -0.6890; e=0.5694; f= -0.4484; + g=0.3694; h= -0.2564; i= -0.8932; + tx=12.1105; ty=30.8774; tz=46.0946 }, + { x = 33.3400; y = 11.0980; z = 46.1750 }, (* P *) + { x = 34.5130; y = 10.2320; z = 46.4660 }, (* O1P *) + { x = 33.4130; y = 12.3960; z = 46.9340 }, (* O2P *) + { x = 31.9810; y = 10.3390; z = 46.4820 }, (* O5' *) + { x = 31.8779; y = 9.9369; z = 47.8760 }, (* C5' *) + { x = 31.3239; y = 10.6931; z = 48.4322 }, (* H5' *) + { x = 32.8647; y = 9.6624; z = 48.2489 }, (* H5'' *) + { x = 31.0429; y = 8.6773; z = 47.9401 }, (* C4' *) + { x = 30.0440; y = 8.8473; z = 47.5383 }, (* H4' *) + { x = 31.6749; y = 7.6351; z = 47.2119 }, (* O4' *) + { x = 31.9159; y = 6.5022; z = 48.0616 }, (* C1' *) + { x = 31.0691; y = 5.8243; z = 47.9544 }, (* H1' *) + { x = 31.9300; y = 7.0685; z = 49.4493 }, (* C2' *) + { x = 32.9024; y = 7.5288; z = 49.6245 }, (* H2'' *) + { x = 31.5672; y = 6.1750; z = 50.4632 }, (* O2' *) + { x = 31.8416; y = 5.2663; z = 50.3200 }, (* H2' *) + { x = 30.8618; y = 8.1514; z = 49.3749 }, (* C3' *) + { x = 31.1122; y = 8.9396; z = 50.0850 }, (* H3' *) + { x = 29.5351; y = 7.6245; z = 49.5409 }, (* O3' *) + { x = 33.1890; y = 5.8629; z = 47.7343 }, (* N1 *) + { x = 34.4004; y = 4.2636; z = 46.4828 }, (* N3 *) + { x = 33.2062; y = 4.8497; z = 46.7851 }, (* C2 *) + { x = 35.5600; y = 4.6374; z = 47.0822 }, (* C4 *) + { x = 35.5444; y = 5.6751; z = 48.0577 }, (* C5 *) + { x = 34.3565; y = 6.2450; z = 48.3432 }, (* C6 *) (C ( - ( (36.6977), (4.0305), (46.7598)), (* N4 *) - ( (32.1661), (4.5034), (46.2348)), (* O2 *) - ( (37.5405), (4.3347), (47.2259)), (* H41 *) - ( (36.7033), (3.2923), (46.0706)), (* H42 *) - ( (36.4713), (5.9811), (48.5428)), (* H5 *) - ( (34.2986), (7.0426), (49.0839))) (* H6 *) + { x = 36.6977; y = 4.0305; z = 46.7598 }, (* N4 *) + { x = 32.1661; y = 4.5034; z = 46.2348 }, (* O2 *) + { x = 37.5405; y = 4.3347; z = 47.2259 }, (* H41 *) + { x = 36.7033; y = 3.2923; z = 46.0706 }, (* H42 *) + { x = 36.4713; y = 5.9811; z = 48.5428 }, (* H5 *) + { x = 34.2986; y = 7.0426; z = 49.0839 }) (* H6 *) ) ) - let rCs = [rC01;rC02;rC03;rC04;rC05;rC06;rC07;rC08;rC09;rC10] - let rG - = ( - ( (-0.0018), (-0.8207), (0.5714), (* dgf_base_tfo *) - (0.2679), (-0.5509), (-0.7904), - (0.9634), (0.1517), (0.2209), - (0.0073), (8.4030), (0.6232)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (5.4550), (8.2120), (-2.8810)), (* C5' *) - ( (5.4546), (8.8508), (-1.9978)), (* H5' *) - ( (5.7588), (8.6625), (-3.8259)), (* H5'' *) - ( (6.4970), (7.1480), (-2.5980)), (* C4' *) - ( (7.4896), (7.5919), (-2.5214)), (* H4' *) - ( (6.1630), (6.4860), (-1.3440)), (* O4' *) - ( (6.5400), (5.1200), (-1.4190)), (* C1' *) - ( (7.2763), (4.9681), (-0.6297)), (* H1' *) - ( (7.1940), (4.8830), (-2.7770)), (* C2' *) - ( (6.8667), (3.9183), (-3.1647)), (* H2'' *) - ( (8.5860), (5.0910), (-2.6140)), (* O2' *) - ( (8.9510), (4.7626), (-1.7890)), (* H2' *) - ( (6.5720), (6.0040), (-3.6090)), (* C3' *) - ( (5.5636), (5.7066), (-3.8966)), (* H3' *) - ( (7.3801), (6.3562), (-4.7350)), (* O3' *) - ( (4.7150), (0.4910), (-0.1360)), (* N1 *) - ( (6.3490), (2.1730), (-0.6020)), (* N3 *) - ( (5.9530), (0.9650), (-0.2670)), (* C2 *) - ( (5.2900), (2.9790), (-0.8260)), (* C4 *) - ( (3.9720), (2.6390), (-0.7330)), (* C5 *) - ( (3.6770), (1.3160), (-0.3660)), (* C6 *) + = 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 *) (G ( - ( (6.8426), (0.0056), (-0.0019)), (* N2 *) - ( (3.1660), (3.7290), (-1.0360)), (* N7 *) - ( (5.3170), (4.2990), (-1.1930)), (* N9 *) - ( (4.0100), (4.6780), (-1.2990)), (* C8 *) - ( (2.4280), (0.8450), (-0.2360)), (* O6 *) - ( (4.6151), (-0.4677), (0.1305)), (* H1 *) - ( (6.6463), (-0.9463), (0.2729)), (* H21 *) - ( (7.8170), (0.2642), (-0.0640)), (* H22 *) - ( (3.4421), (5.5744), (-1.5482))) (* H8 *) + { x = 6.8426; y = 0.0056; z = -0.0019 }, (* N2 *) + { 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 = 2.4280; y = 0.8450; z = -0.2360 }, (* O6 *) + { x = 4.6151; y = -0.4677; z = 0.1305 }, (* H1 *) + { x = 6.6463; y = -0.9463; z = 0.2729 }, (* H21 *) + { x = 7.8170; y = 0.2642; z = -0.0640 }, (* H22 *) + { x = 3.4421; y = 5.5744; z = -1.5482 }) (* H8 *) ) ) - let rG01 - = ( - ( (-0.0043), (-0.8175), (0.5759), (* dgf_base_tfo *) - (0.2617), (-0.5567), (-0.7884), - (0.9651), (0.1473), (0.2164), - (0.0359), (8.3929), (0.5532)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (5.4352), (8.2183), (-2.7757)), (* C5' *) - ( (5.3830), (8.7883), (-1.8481)), (* H5' *) - ( (5.7729), (8.7436), (-3.6691)), (* H5'' *) - ( (6.4830), (7.1518), (-2.5252)), (* C4' *) - ( (7.4749), (7.5972), (-2.4482)), (* H4' *) - ( (6.1626), (6.4620), (-1.2827)), (* O4' *) - ( (6.5431), (5.0992), (-1.3905)), (* C1' *) - ( (7.2871), (4.9328), (-0.6114)), (* H1' *) - ( (7.1852), (4.8935), (-2.7592)), (* C2' *) - ( (6.8573), (3.9363), (-3.1645)), (* H2'' *) - ( (8.5780), (5.1025), (-2.6046)), (* O2' *) - ( (8.9516), (4.7577), (-1.7902)), (* H2' *) - ( (6.5522), (6.0300), (-3.5612)), (* C3' *) - ( (5.5420), (5.7356), (-3.8459)), (* H3' *) - ( (7.3487), (6.4089), (-4.6867)), (* O3' *) - ( (4.7442), (0.4514), (-0.1390)), (* N1 *) - ( (6.3687), (2.1459), (-0.5926)), (* N3 *) - ( (5.9795), (0.9335), (-0.2657)), (* C2 *) - ( (5.3052), (2.9471), (-0.8125)), (* C4 *) - ( (3.9891), (2.5987), (-0.7230)), (* C5 *) - ( (3.7016), (1.2717), (-0.3647)), (* C6 *) + = 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 *) (G ( - ( (6.8745), (-0.0224), (-0.0058)), (* N2 *) - ( (3.1770), (3.6859), (-1.0198)), (* N7 *) - ( (5.3247), (4.2695), (-1.1710)), (* N9 *) - ( (4.0156), (4.6415), (-1.2759)), (* C8 *) - ( (2.4553), (0.7925), (-0.2390)), (* O6 *) - ( (4.6497), (-0.5095), (0.1212)), (* H1 *) - ( (6.6836), (-0.9771), (0.2627)), (* H21 *) - ( (7.8474), (0.2424), (-0.0653)), (* H22 *) - ( (3.4426), (5.5361), (-1.5199))) (* H8 *) + { x = 6.8745; y = -0.0224; z = -0.0058 }, (* N2 *) + { 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 = 2.4553; y = 0.7925; z = -0.2390 }, (* O6 *) + { x = 4.6497; y = -0.5095; z = 0.1212 }, (* H1 *) + { x = 6.6836; y = -0.9771; z = 0.2627 }, (* H21 *) + { x = 7.8474; y = 0.2424; z = -0.0653 }, (* H22 *) + { x = 3.4426; y = 5.5361; z = -1.5199 }) (* H8 *) ) ) - let rG02 - = ( - ( (0.5566), (0.0449), (0.8296), (* dgf_base_tfo *) - (0.5125), (0.7673), (-0.3854), - (-0.6538), (0.6397), (0.4041), - (-9.1161), (-3.7679), (-2.9968)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.5778), (6.6594), (-4.0364)), (* C5' *) - ( (4.9220), (7.1963), (-4.9204)), (* H5' *) - ( (3.7996), (5.9091), (-4.1764)), (* H5'' *) - ( (5.7873), (5.8869), (-3.5482)), (* C4' *) - ( (6.0405), (5.0875), (-4.2446)), (* H4' *) - ( (6.9135), (6.8036), (-3.4310)), (* O4' *) - ( (7.7293), (6.4084), (-2.3392)), (* C1' *) - ( (8.7078), (6.1815), (-2.7624)), (* H1' *) - ( (7.1305), (5.1418), (-1.7347)), (* C2' *) - ( (7.2040), (5.1982), (-0.6486)), (* H2'' *) - ( (7.7417), (4.0392), (-2.3813)), (* O2' *) - ( (8.6785), (4.1443), (-2.5630)), (* H2' *) - ( (5.6666), (5.2728), (-2.1536)), (* C3' *) - ( (5.1747), (5.9805), (-1.4863)), (* H3' *) - ( (4.9997), (4.0086), (-2.1973)), (* O3' *) - ( (10.3245), (8.5459), (1.5467)), (* N1 *) - ( (9.8051), (6.9432), (-0.1497)), (* N3 *) - ( (10.5175), (7.4328), (0.8408)), (* C2 *) - ( (8.7523), (7.7422), (-0.4228)), (* C4 *) - ( (8.4257), (8.9060), (0.2099)), (* C5 *) - ( (9.2665), (9.3242), (1.2540)), (* C6 *) + = 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 *) (G ( - ( (11.6077), (6.7966), (1.2752)), (* N2 *) - ( (7.2750), (9.4537), (-0.3428)), (* N7 *) - ( (7.7962), (7.5519), (-1.3859)), (* N9 *) - ( (6.9479), (8.6157), (-1.2771)), (* C8 *) - ( (9.0664), (10.4462), (1.9610)), (* O6 *) - ( (10.9838), (8.7524), (2.2697)), (* H1 *) - ( (12.2274), (7.0896), (2.0170)), (* H21 *) - ( (11.8502), (5.9398), (0.7984)), (* H22 *) - ( (6.0430), (8.9853), (-1.7594))) (* H8 *) + { x = 11.6077; y = 6.7966; z = 1.2752 }, (* N2 *) + { 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 = 9.0664; y = 10.4462; z = 1.9610 }, (* O6 *) + { x = 10.9838; y = 8.7524; z = 2.2697 }, (* H1 *) + { x = 12.2274; y = 7.0896; z = 2.0170 }, (* H21 *) + { x = 11.8502; y = 5.9398; z = 0.7984 }, (* H22 *) + { x = 6.0430; y = 8.9853; z = -1.7594 }) (* H8 *) ) ) - let rG03 - = ( - ( (-0.5021), (0.0731), (0.8617), (* dgf_base_tfo *) - (-0.8112), (0.3054), (-0.4986), - (-0.2996), (-0.9494), (-0.0940), - (6.4273), (-5.1944), (-3.7807)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.1214), (6.7116), (-1.9049)), (* C5' *) - ( (3.3465), (5.9610), (-2.0607)), (* H5' *) - ( (4.0789), (7.2928), (-0.9837)), (* H5'' *) - ( (5.4170), (5.9293), (-1.8186)), (* C4' *) - ( (5.4506), (5.3400), (-0.9023)), (* H4' *) - ( (5.5067), (5.0417), (-2.9703)), (* O4' *) - ( (6.8650), (4.9152), (-3.3612)), (* C1' *) - ( (7.1090), (3.8577), (-3.2603)), (* H1' *) - ( (7.7152), (5.7282), (-2.3894)), (* C2' *) - ( (8.5029), (6.2356), (-2.9463)), (* H2'' *) - ( (8.1036), (4.8568), (-1.3419)), (* O2' *) - ( (8.3270), (3.9651), (-1.6184)), (* H2' *) - ( (6.7003), (6.7565), (-1.8911)), (* C3' *) - ( (6.5898), (7.5329), (-2.6482)), (* H3' *) - ( (7.0505), (7.2878), (-0.6105)), (* O3' *) - ( (9.6740), (4.7656), (-7.6614)), (* N1 *) - ( (9.0739), (4.3013), (-5.3941)), (* N3 *) - ( (9.8416), (4.2192), (-6.4581)), (* C2 *) - ( (7.9885), (5.0632), (-5.6446)), (* C4 *) - ( (7.6822), (5.6856), (-6.8194)), (* C5 *) - ( (8.5831), (5.5215), (-7.8840)), (* C6 *) + = 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 *) (G ( - ( (10.9733), (3.5117), (-6.4286)), (* N2 *) - ( (6.4857), (6.3816), (-6.7035)), (* N7 *) - ( (6.9740), (5.3703), (-4.7760)), (* N9 *) - ( (6.1133), (6.1613), (-5.4808)), (* C8 *) - ( (8.4084), (6.0747), (-9.0933)), (* O6 *) - ( (10.3759), (4.5855), (-8.3504)), (* H1 *) - ( (11.6254), (3.3761), (-7.1879)), (* H21 *) - ( (11.1917), (3.0460), (-5.5593)), (* H22 *) - ( (5.1705), (6.6830), (-5.3167))) (* H8 *) + { x = 10.9733; y = 3.5117; z = -6.4286 }, (* N2 *) + { 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 = 8.4084; y = 6.0747; z = -9.0933 }, (* O6 *) + { x = 10.3759; y = 4.5855; z = -8.3504 }, (* H1 *) + { x = 11.6254; y = 3.3761; z = -7.1879 }, (* H21 *) + { x = 11.1917; y = 3.0460; z = -5.5593 }, (* H22 *) + { x = 5.1705; y = 6.6830; z = -5.3167 }) (* H8 *) ) ) - let rG04 - = ( - ( (-0.5426), (-0.8175), (0.1929), (* dgf_base_tfo *) - (0.8304), (-0.5567), (-0.0237), - (0.1267), (0.1473), (0.9809), - (-0.5075), (8.3929), (0.2229)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (5.4352), (8.2183), (-2.7757)), (* C5' *) - ( (5.3830), (8.7883), (-1.8481)), (* H5' *) - ( (5.7729), (8.7436), (-3.6691)), (* H5'' *) - ( (6.4830), (7.1518), (-2.5252)), (* C4' *) - ( (7.4749), (7.5972), (-2.4482)), (* H4' *) - ( (6.1626), (6.4620), (-1.2827)), (* O4' *) - ( (6.5431), (5.0992), (-1.3905)), (* C1' *) - ( (7.2871), (4.9328), (-0.6114)), (* H1' *) - ( (7.1852), (4.8935), (-2.7592)), (* C2' *) - ( (6.8573), (3.9363), (-3.1645)), (* H2'' *) - ( (8.5780), (5.1025), (-2.6046)), (* O2' *) - ( (8.9516), (4.7577), (-1.7902)), (* H2' *) - ( (6.5522), (6.0300), (-3.5612)), (* C3' *) - ( (5.5420), (5.7356), (-3.8459)), (* H3' *) - ( (7.3487), (6.4089), (-4.6867)), (* O3' *) - ( (3.6343), (2.6680), (2.0783)), (* N1 *) - ( (5.4505), (3.9805), (1.2446)), (* N3 *) - ( (4.7540), (3.3816), (2.1851)), (* C2 *) - ( (4.8805), (3.7951), (0.0354)), (* C4 *) - ( (3.7416), (3.0925), (-0.2305)), (* C5 *) - ( (3.0873), (2.4980), (0.8606)), (* C6 *) + = 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 *) (G ( - ( (5.1433), (3.4373), (3.4609)), (* N2 *) - ( (3.4605), (3.1184), (-1.5906)), (* N7 *) - ( (5.3247), (4.2695), (-1.1710)), (* N9 *) - ( (4.4244), (3.8244), (-2.0953)), (* C8 *) - ( (1.9600), (1.7805), (0.7462)), (* O6 *) - ( (3.2489), (2.2879), (2.9191)), (* H1 *) - ( (4.6785), (3.0243), (4.2568)), (* H21 *) - ( (5.9823), (3.9654), (3.6539)), (* H22 *) - ( (4.2675), (3.8876), (-3.1721))) (* H8 *) + { x = 5.1433; y = 3.4373; z = 3.4609 }, (* N2 *) + { 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 = 1.9600; y = 1.7805; z = 0.7462 }, (* O6 *) + { x = 3.2489; y = 2.2879; z = 2.9191 }, (* H1 *) + { x = 4.6785; y = 3.0243; z = 4.2568 }, (* H21 *) + { x = 5.9823; y = 3.9654; z = 3.6539 }, (* H22 *) + { x = 4.2675; y = 3.8876; z = -3.1721 }) (* H8 *) ) ) - let rG05 - = ( - ( (-0.5891), (0.0449), (0.8068), (* dgf_base_tfo *) - (0.5375), (0.7673), (0.3498), - (-0.6034), (0.6397), (-0.4762), - (-0.3019), (-3.7679), (-9.5913)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.5778), (6.6594), (-4.0364)), (* C5' *) - ( (4.9220), (7.1963), (-4.9204)), (* H5' *) - ( (3.7996), (5.9091), (-4.1764)), (* H5'' *) - ( (5.7873), (5.8869), (-3.5482)), (* C4' *) - ( (6.0405), (5.0875), (-4.2446)), (* H4' *) - ( (6.9135), (6.8036), (-3.4310)), (* O4' *) - ( (7.7293), (6.4084), (-2.3392)), (* C1' *) - ( (8.7078), (6.1815), (-2.7624)), (* H1' *) - ( (7.1305), (5.1418), (-1.7347)), (* C2' *) - ( (7.2040), (5.1982), (-0.6486)), (* H2'' *) - ( (7.7417), (4.0392), (-2.3813)), (* O2' *) - ( (8.6785), (4.1443), (-2.5630)), (* H2' *) - ( (5.6666), (5.2728), (-2.1536)), (* C3' *) - ( (5.1747), (5.9805), (-1.4863)), (* H3' *) - ( (4.9997), (4.0086), (-2.1973)), (* O3' *) - ( (10.2594), (10.6774), (-1.0056)), (* N1 *) - ( (9.7528), (8.7080), (-2.2631)), (* N3 *) - ( (10.4471), (9.7876), (-1.9791)), (* C2 *) - ( (8.7271), (8.5575), (-1.3991)), (* C4 *) - ( (8.4100), (9.3803), (-0.3580)), (* C5 *) - ( (9.2294), (10.5030), (-0.1574)), (* C6 *) + = 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 *) (G ( - ( (11.5110), (10.1256), (-2.7114)), (* N2 *) - ( (7.2891), (8.9068), (0.3121)), (* N7 *) - ( (7.7962), (7.5519), (-1.3859)), (* N9 *) - ( (6.9702), (7.8292), (-0.3353)), (* C8 *) - ( (9.0349), (11.3951), (0.8250)), (* O6 *) - ( (10.9013), (11.4422), (-0.9512)), (* H1 *) - ( (12.1031), (10.9341), (-2.5861)), (* H21 *) - ( (11.7369), (9.5180), (-3.4859)), (* H22 *) - ( (6.0888), (7.3990), (0.1403))) (* H8 *) + { x = 11.5110; y = 10.1256; z = -2.7114 }, (* N2 *) + { 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 = 9.0349; y = 11.3951; z = 0.8250 }, (* O6 *) + { x = 10.9013; y = 11.4422; z = -0.9512 }, (* H1 *) + { x = 12.1031; y = 10.9341; z = -2.5861 }, (* H21 *) + { x = 11.7369; y = 9.5180; z = -3.4859 }, (* H22 *) + { x = 6.0888; y = 7.3990; z = 0.1403 }) (* H8 *) ) ) - let rG06 - = ( - ( (-0.9815), (0.0731), (-0.1772), (* dgf_base_tfo *) - (0.1912), (0.3054), (-0.9328), - (-0.0141), (-0.9494), (-0.3137), - (5.7506), (-5.1944), (4.7470)), - ( (-0.8143), (-0.5091), (-0.2788), (* P_O3'_275_tfo *) - (-0.0433), (-0.4257), (0.9038), - (-0.5788), (0.7480), (0.3246), - (1.5227), (6.9114), (-7.0765)), - ( (0.3822), (-0.7477), (0.5430), (* P_O3'_180_tfo *) - (0.4552), (0.6637), (0.5935), - (-0.8042), (0.0203), (0.5941), - (-6.9472), (-4.1186), (-5.9108)), - ( (0.5640), (0.8007), (-0.2022), (* P_O3'_60_tfo *) - (-0.8247), (0.5587), (-0.0878), - (0.0426), (0.2162), (0.9754), - (6.2694), (-7.0540), (3.3316)), - ( (2.8930), (8.5380), (-3.3280)), (* P *) - ( (1.6980), (7.6960), (-3.5570)), (* O1P *) - ( (3.2260), (9.5010), (-4.4020)), (* O2P *) - ( (4.1590), (7.6040), (-3.0340)), (* O5' *) - ( (4.1214), (6.7116), (-1.9049)), (* C5' *) - ( (3.3465), (5.9610), (-2.0607)), (* H5' *) - ( (4.0789), (7.2928), (-0.9837)), (* H5'' *) - ( (5.4170), (5.9293), (-1.8186)), (* C4' *) - ( (5.4506), (5.3400), (-0.9023)), (* H4' *) - ( (5.5067), (5.0417), (-2.9703)), (* O4' *) - ( (6.8650), (4.9152), (-3.3612)), (* C1' *) - ( (7.1090), (3.8577), (-3.2603)), (* H1' *) - ( (7.7152), (5.7282), (-2.3894)), (* C2' *) - ( (8.5029), (6.2356), (-2.9463)), (* H2'' *) - ( (8.1036), (4.8568), (-1.3419)), (* O2' *) - ( (8.3270), (3.9651), (-1.6184)), (* H2' *) - ( (6.7003), (6.7565), (-1.8911)), (* C3' *) - ( (6.5898), (7.5329), (-2.6482)), (* H3' *) - ( (7.0505), (7.2878), (-0.6105)), (* O3' *) - ( (6.6624), (3.5061), (-8.2986)), (* N1 *) - ( (6.5810), (3.2570), (-5.9221)), (* N3 *) - ( (6.5151), (2.8263), (-7.1625)), (* C2 *) - ( (6.8364), (4.5817), (-5.8882)), (* C4 *) - ( (7.0116), (5.4064), (-6.9609)), (* C5 *) - ( (6.9173), (4.8260), (-8.2361)), (* C6 *) + = 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 *) (G ( - ( (6.2717), (1.5402), (-7.4250)), (* N2 *) - ( (7.2573), (6.7070), (-6.5394)), (* N7 *) - ( (6.9740), (5.3703), (-4.7760)), (* N9 *) - ( (7.2238), (6.6275), (-5.2453)), (* C8 *) - ( (7.0668), (5.5163), (-9.3763)), (* O6 *) - ( (6.5754), (2.9964), (-9.1545)), (* H1 *) - ( (6.1908), (1.1105), (-8.3354)), (* H21 *) - ( (6.1346), (0.9352), (-6.6280)), (* H22 *) - ( (7.4108), (7.6227), (-4.8418))) (* H8 *) + { x = 6.2717; y = 1.5402; z = -7.4250 }, (* N2 *) + { 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 = 7.0668; y = 5.5163; z = -9.3763 }, (* O6 *) + { x = 6.5754; y = 2.9964; z = -9.1545 }, (* H1 *) + { x = 6.1908; y = 1.1105; z = -8.3354 }, (* H21 *) + { x = 6.1346; y = 0.9352; z = -6.6280 }, (* H22 *) + { x = 7.4108; y = 7.6227; z = -4.8418 }) (* H8 *) ) ) - let rG07 - = ( - ( (0.0894), (-0.6059), (0.7905), (* dgf_base_tfo *) - (-0.6810), (0.5420), (0.4924), - (-0.7268), (-0.5824), (-0.3642), - (34.1424), (45.9610), (-11.8600)), - ( (-0.8644), (-0.4956), (-0.0851), (* P_O3'_275_tfo *) - (-0.0427), (0.2409), (-0.9696), - (0.5010), (-0.8345), (-0.2294), - (4.0167), (54.5377), (12.4779)), - ( (0.3706), (-0.6167), (0.6945), (* P_O3'_180_tfo *) - (-0.2867), (-0.7872), (-0.5460), - (0.8834), (0.0032), (-0.4686), - (-52.9020), (18.6313), (-0.6709)), - ( (0.4155), (0.9025), (-0.1137), (* P_O3'_60_tfo *) - (0.9040), (-0.4236), (-0.0582), - (-0.1007), (-0.0786), (-0.9918), - (-7.6624), (-25.2080), (49.5181)), - ( (31.3810), (0.1400), (47.5810)), (* P *) - ( (29.9860), (0.6630), (47.6290)), (* O1P *) - ( (31.7210), (-0.6460), (48.8090)), (* O2P *) - ( (32.4940), (1.2540), (47.2740)), (* O5' *) - ( (33.8709), (0.7918), (47.2113)), (* C5' *) - ( (34.1386), (0.5870), (46.1747)), (* H5' *) - ( (34.0186), (-0.0095), (47.9353)), (* H5'' *) - ( (34.7297), (1.9687), (47.6685)), (* C4' *) - ( (35.7723), (1.6845), (47.8113)), (* H4' *) - ( (34.6455), (2.9768), (46.6660)), (* O4' *) - ( (34.1690), (4.1829), (47.2627)), (* C1' *) - ( (35.0437), (4.7633), (47.5560)), (* H1' *) - ( (33.4145), (3.7532), (48.4954)), (* C2' *) - ( (32.4340), (3.3797), (48.2001)), (* H2'' *) - ( (33.3209), (4.6953), (49.5217)), (* O2' *) - ( (33.2374), (5.6059), (49.2295)), (* H2' *) - ( (34.2724), (2.5970), (48.9773)), (* C3' *) - ( (33.6373), (1.8935), (49.5157)), (* H3' *) - ( (35.3453), (3.1884), (49.7285)), (* O3' *) - ( (34.0511), (7.8930), (43.7791)), (* N1 *) - ( (34.9937), (6.3369), (45.3199)), (* N3 *) - ( (35.0882), (7.3126), (44.4200)), (* C2 *) - ( (33.7190), (5.9650), (45.5374)), (* C4 *) - ( (32.5845), (6.4770), (44.9458)), (* C5 *) - ( (32.7430), (7.5179), (43.9914)), (* C6 *) + = N( + { a=0.0894; b= -0.6059; c=0.7905; (* dgf_base_tfo *) + d= -0.6810; e=0.5420; f=0.4924; + g= -0.7268; h= -0.5824; i= -0.3642; + tx=34.1424; ty=45.9610; tz= -11.8600 }, + { a= -0.8644; b= -0.4956; c= -0.0851; (* P_O3'_275_tfo *) + d= -0.0427; e=0.2409; f= -0.9696; + g=0.5010; h= -0.8345; i= -0.2294; + tx=4.0167; ty=54.5377; tz=12.4779 }, + { a=0.3706; b= -0.6167; c=0.6945; (* P_O3'_180_tfo *) + d= -0.2867; e= -0.7872; f= -0.5460; + g=0.8834; h=0.0032; i= -0.4686; + tx= -52.9020; ty=18.6313; tz= -0.6709 }, + { a=0.4155; b=0.9025; c= -0.1137; (* P_O3'_60_tfo *) + d=0.9040; e= -0.4236; f= -0.0582; + g= -0.1007; h= -0.0786; i= -0.9918; + tx= -7.6624; ty= -25.2080; tz=49.5181 }, + { x = 31.3810; y = 0.1400; z = 47.5810 }, (* P *) + { x = 29.9860; y = 0.6630; z = 47.6290 }, (* O1P *) + { x = 31.7210; y = -0.6460; z = 48.8090 }, (* O2P *) + { x = 32.4940; y = 1.2540; z = 47.2740 }, (* O5' *) + { x = 33.8709; y = 0.7918; z = 47.2113 }, (* C5' *) + { x = 34.1386; y = 0.5870; z = 46.1747 }, (* H5' *) + { x = 34.0186; y = -0.0095; z = 47.9353 }, (* H5'' *) + { x = 34.7297; y = 1.9687; z = 47.6685 }, (* C4' *) + { x = 35.7723; y = 1.6845; z = 47.8113 }, (* H4' *) + { x = 34.6455; y = 2.9768; z = 46.6660 }, (* O4' *) + { x = 34.1690; y = 4.1829; z = 47.2627 }, (* C1' *) + { x = 35.0437; y = 4.7633; z = 47.5560 }, (* H1' *) + { x = 33.4145; y = 3.7532; z = 48.4954 }, (* C2' *) + { x = 32.4340; y = 3.3797; z = 48.2001 }, (* H2'' *) + { x = 33.3209; y = 4.6953; z = 49.5217 }, (* O2' *) + { x = 33.2374; y = 5.6059; z = 49.2295 }, (* H2' *) + { x = 34.2724; y = 2.5970; z = 48.9773 }, (* C3' *) + { x = 33.6373; y = 1.8935; z = 49.5157 }, (* H3' *) + { x = 35.3453; y = 3.1884; z = 49.7285 }, (* O3' *) + { x = 34.0511; y = 7.8930; z = 43.7791 }, (* N1 *) + { x = 34.9937; y = 6.3369; z = 45.3199 }, (* N3 *) + { x = 35.0882; y = 7.3126; z = 44.4200 }, (* C2 *) + { x = 33.7190; y = 5.9650; z = 45.5374 }, (* C4 *) + { x = 32.5845; y = 6.4770; z = 44.9458 }, (* C5 *) + { x = 32.7430; y = 7.5179; z = 43.9914 }, (* C6 *) (G ( - ( (36.3030), (7.7827), (44.1036)), (* N2 *) - ( (31.4499), (5.8335), (45.4368)), (* N7 *) - ( (33.2760), (4.9817), (46.4043)), (* N9 *) - ( (31.9235), (4.9639), (46.2934)), (* C8 *) - ( (31.8602), (8.1000), (43.3695)), (* O6 *) - ( (34.2623), (8.6223), (43.1283)), (* H1 *) - ( (36.5188), (8.5081), (43.4347)), (* H21 *) - ( (37.0888), (7.3524), (44.5699)), (* H22 *) - ( (31.0815), (4.4201), (46.7218))) (* H8 *) + { x = 36.3030; y = 7.7827; z = 44.1036 }, (* N2 *) + { x = 31.4499; y = 5.8335; z = 45.4368 }, (* N7 *) + { x = 33.2760; y = 4.9817; z = 46.4043 }, (* N9 *) + { x = 31.9235; y = 4.9639; z = 46.2934 }, (* C8 *) + { x = 31.8602; y = 8.1000; z = 43.3695 }, (* O6 *) + { x = 34.2623; y = 8.6223; z = 43.1283 }, (* H1 *) + { x = 36.5188; y = 8.5081; z = 43.4347 }, (* H21 *) + { x = 37.0888; y = 7.3524; z = 44.5699 }, (* H22 *) + { x = 31.0815; y = 4.4201; z = 46.7218 }) (* H8 *) ) ) - let rG08 - = ( - ( (0.2224), (0.6335), (0.7411), (* dgf_base_tfo *) - (-0.3644), (-0.6510), (0.6659), - (0.9043), (-0.4181), (0.0861), - (-47.6824), (-0.5823), (-31.7554)), - ( (-0.8644), (-0.4956), (-0.0851), (* P_O3'_275_tfo *) - (-0.0427), (0.2409), (-0.9696), - (0.5010), (-0.8345), (-0.2294), - (4.0167), (54.5377), (12.4779)), - ( (0.3706), (-0.6167), (0.6945), (* P_O3'_180_tfo *) - (-0.2867), (-0.7872), (-0.5460), - (0.8834), (0.0032), (-0.4686), - (-52.9020), (18.6313), (-0.6709)), - ( (0.4155), (0.9025), (-0.1137), (* P_O3'_60_tfo *) - (0.9040), (-0.4236), (-0.0582), - (-0.1007), (-0.0786), (-0.9918), - (-7.6624), (-25.2080), (49.5181)), - ( (31.3810), (0.1400), (47.5810)), (* P *) - ( (29.9860), (0.6630), (47.6290)), (* O1P *) - ( (31.7210), (-0.6460), (48.8090)), (* O2P *) - ( (32.4940), (1.2540), (47.2740)), (* O5' *) - ( (32.5924), (2.3488), (48.2255)), (* C5' *) - ( (33.3674), (2.1246), (48.9584)), (* H5' *) - ( (31.5994), (2.5917), (48.6037)), (* H5'' *) - ( (33.0722), (3.5577), (47.4258)), (* C4' *) - ( (33.0310), (4.4778), (48.0089)), (* H4' *) - ( (34.4173), (3.3055), (47.0316)), (* O4' *) - ( (34.5056), (3.3910), (45.6094)), (* C1' *) - ( (34.7881), (4.4152), (45.3663)), (* H1' *) - ( (33.1122), (3.1198), (45.1010)), (* C2' *) - ( (32.9230), (2.0469), (45.1369)), (* H2'' *) - ( (32.7946), (3.6590), (43.8529)), (* O2' *) - ( (33.5170), (3.6707), (43.2207)), (* H2' *) - ( (32.2730), (3.8173), (46.1566)), (* C3' *) - ( (31.3094), (3.3123), (46.2244)), (* H3' *) - ( (32.2391), (5.2039), (45.7807)), (* O3' *) - ( (39.3337), (2.7157), (44.1441)), (* N1 *) - ( (37.4430), (3.8242), (45.0824)), (* N3 *) - ( (38.7276), (3.7646), (44.7403)), (* C2 *) - ( (36.7791), (2.6963), (44.7704)), (* C4 *) - ( (37.2860), (1.5653), (44.1678)), (* C5 *) - ( (38.6647), (1.5552), (43.8235)), (* C6 *) + = N( + { a=0.2224; b=0.6335; c=0.7411; (* dgf_base_tfo *) + d= -0.3644; e= -0.6510; f=0.6659; + g=0.9043; h= -0.4181; i=0.0861; + tx= -47.6824; ty= -0.5823; tz= -31.7554 }, + { a= -0.8644; b= -0.4956; c= -0.0851; (* P_O3'_275_tfo *) + d= -0.0427; e=0.2409; f= -0.9696; + g=0.5010; h= -0.8345; i= -0.2294; + tx=4.0167; ty=54.5377; tz=12.4779 }, + { a=0.3706; b= -0.6167; c=0.6945; (* P_O3'_180_tfo *) + d= -0.2867; e= -0.7872; f= -0.5460; + g=0.8834; h=0.0032; i= -0.4686; + tx= -52.9020; ty=18.6313; tz= -0.6709 }, + { a=0.4155; b=0.9025; c= -0.1137; (* P_O3'_60_tfo *) + d=0.9040; e= -0.4236; f= -0.0582; + g= -0.1007; h= -0.0786; i= -0.9918; + tx= -7.6624; ty= -25.2080; tz=49.5181 }, + { x = 31.3810; y = 0.1400; z = 47.5810 }, (* P *) + { x = 29.9860; y = 0.6630; z = 47.6290 }, (* O1P *) + { x = 31.7210; y = -0.6460; z = 48.8090 }, (* O2P *) + { x = 32.4940; y = 1.2540; z = 47.2740 }, (* O5' *) + { x = 32.5924; y = 2.3488; z = 48.2255 }, (* C5' *) + { x = 33.3674; y = 2.1246; z = 48.9584 }, (* H5' *) + { x = 31.5994; y = 2.5917; z = 48.6037 }, (* H5'' *) + { x = 33.0722; y = 3.5577; z = 47.4258 }, (* C4' *) + { x = 33.0310; y = 4.4778; z = 48.0089 }, (* H4' *) + { x = 34.4173; y = 3.3055; z = 47.0316 }, (* O4' *) + { x = 34.5056; y = 3.3910; z = 45.6094 }, (* C1' *) + { x = 34.7881; y = 4.4152; z = 45.3663 }, (* H1' *) + { x = 33.1122; y = 3.1198; z = 45.1010 }, (* C2' *) + { x = 32.9230; y = 2.0469; z = 45.1369 }, (* H2'' *) + { x = 32.7946; y = 3.6590; z = 43.8529 }, (* O2' *) + { x = 33.5170; y = 3.6707; z = 43.2207 }, (* H2' *) + { x = 32.2730; y = 3.8173; z = 46.1566 }, (* C3' *) + { x = 31.3094; y = 3.3123; z = 46.2244 }, (* H3' *) + { x = 32.2391; y = 5.2039; z = 45.7807 }, (* O3' *) + { x = 39.3337; y = 2.7157; z = 44.1441 }, (* N1 *) + { x = 37.4430; y = 3.8242; z = 45.0824 }, (* N3 *) + { x = 38.7276; y = 3.7646; z = 44.7403 }, (* C2 *) + { x = 36.7791; y = 2.6963; z = 44.7704 }, (* C4 *) + { x = 37.2860; y = 1.5653; z = 44.1678 }, (* C5 *) + { x = 38.6647; y = 1.5552; z = 43.8235 }, (* C6 *) (G ( - ( (39.5123), (4.8216), (44.9936)), (* N2 *) - ( (36.2829), (0.6110), (44.0078)), (* N7 *) - ( (35.4394), (2.4314), (44.9931)), (* N9 *) - ( (35.2180), (1.1815), (44.5128)), (* C8 *) - ( (39.2907), (0.6514), (43.2796)), (* O6 *) - ( (40.3076), (2.8048), (43.9352)), (* H1 *) - ( (40.4994), (4.9066), (44.7977)), (* H21 *) - ( (39.0738), (5.6108), (45.4464)), (* H22 *) - ( (34.3856), (0.4842), (44.4185))) (* H8 *) + { x = 39.5123; y = 4.8216; z = 44.9936 }, (* N2 *) + { x = 36.2829; y = 0.6110; z = 44.0078 }, (* N7 *) + { x = 35.4394; y = 2.4314; z = 44.9931 }, (* N9 *) + { x = 35.2180; y = 1.1815; z = 44.5128 }, (* C8 *) + { x = 39.2907; y = 0.6514; z = 43.2796 }, (* O6 *) + { x = 40.3076; y = 2.8048; z = 43.9352 }, (* H1 *) + { x = 40.4994; y = 4.9066; z = 44.7977 }, (* H21 *) + { x = 39.0738; y = 5.6108; z = 45.4464 }, (* H22 *) + { x = 34.3856; y = 0.4842; z = 44.4185 }) (* H8 *) ) ) - let rG09 - = ( - ( (-0.9699), (-0.1688), (-0.1753), (* dgf_base_tfo *) - (-0.1050), (-0.3598), (0.9271), - (-0.2196), (0.9176), (0.3312), - (45.6217), (-38.9484), (-12.3208)), - ( (-0.8644), (-0.4956), (-0.0851), (* P_O3'_275_tfo *) - (-0.0427), (0.2409), (-0.9696), - (0.5010), (-0.8345), (-0.2294), - (4.0167), (54.5377), (12.4779)), - ( (0.3706), (-0.6167), (0.6945), (* P_O3'_180_tfo *) - (-0.2867), (-0.7872), (-0.5460), - (0.8834), (0.0032), (-0.4686), - (-52.9020), (18.6313), (-0.6709)), - ( (0.4155), (0.9025), (-0.1137), (* P_O3'_60_tfo *) - (0.9040), (-0.4236), (-0.0582), - (-0.1007), (-0.0786), (-0.9918), - (-7.6624), (-25.2080), (49.5181)), - ( (31.3810), (0.1400), (47.5810)), (* P *) - ( (29.9860), (0.6630), (47.6290)), (* O1P *) - ( (31.7210), (-0.6460), (48.8090)), (* O2P *) - ( (32.4940), (1.2540), (47.2740)), (* O5' *) - ( (33.8709), (0.7918), (47.2113)), (* C5' *) - ( (34.1386), (0.5870), (46.1747)), (* H5' *) - ( (34.0186), (-0.0095), (47.9353)), (* H5'' *) - ( (34.7297), (1.9687), (47.6685)), (* C4' *) - ( (34.5880), (2.8482), (47.0404)), (* H4' *) - ( (34.3575), (2.2770), (49.0081)), (* O4' *) - ( (35.5157), (2.1993), (49.8389)), (* C1' *) - ( (35.9424), (3.2010), (49.8893)), (* H1' *) - ( (36.4701), (1.2820), (49.1169)), (* C2' *) - ( (36.1545), (0.2498), (49.2683)), (* H2'' *) - ( (37.8262), (1.4547), (49.4008)), (* O2' *) - ( (38.0227), (1.6945), (50.3094)), (* H2' *) - ( (36.2242), (1.6797), (47.6725)), (* C3' *) - ( (36.4297), (0.8197), (47.0351)), (* H3' *) - ( (37.0289), (2.8480), (47.4426)), (* O3' *) - ( (34.3005), (3.5042), (54.6070)), (* N1 *) - ( (34.7693), (3.7936), (52.2874)), (* N3 *) - ( (34.4484), (4.2541), (53.4939)), (* C2 *) - ( (34.9354), (2.4584), (52.2785)), (* C4 *) - ( (34.8092), (1.5915), (53.3422)), (* C5 *) - ( (34.4646), (2.1367), (54.6085)), (* C6 *) + = N( + { a= -0.9699; b= -0.1688; c= -0.1753; (* dgf_base_tfo *) + d= -0.1050; e= -0.3598; f=0.9271; + g= -0.2196; h=0.9176; i=0.3312; + tx=45.6217; ty= -38.9484; tz= -12.3208 }, + { a= -0.8644; b= -0.4956; c= -0.0851; (* P_O3'_275_tfo *) + d= -0.0427; e=0.2409; f= -0.9696; + g=0.5010; h= -0.8345; i= -0.2294; + tx=4.0167; ty=54.5377; tz=12.4779 }, + { a=0.3706; b= -0.6167; c=0.6945; (* P_O3'_180_tfo *) + d= -0.2867; e= -0.7872; f= -0.5460; + g=0.8834; h=0.0032; i= -0.4686; + tx= -52.9020; ty=18.6313; tz= -0.6709 }, + { a=0.4155; b=0.9025; c= -0.1137; (* P_O3'_60_tfo *) + d=0.9040; e= -0.4236; f= -0.0582; + g= -0.1007; h= -0.0786; i= -0.9918; + tx= -7.6624; ty= -25.2080; tz=49.5181 }, + { x = 31.3810; y = 0.1400; z = 47.5810 }, (* P *) + { x = 29.9860; y = 0.6630; z = 47.6290 }, (* O1P *) + { x = 31.7210; y = -0.6460; z = 48.8090 }, (* O2P *) + { x = 32.4940; y = 1.2540; z = 47.2740 }, (* O5' *) + { x = 33.8709; y = 0.7918; z = 47.2113 }, (* C5' *) + { x = 34.1386; y = 0.5870; z = 46.1747 }, (* H5' *) + { x = 34.0186; y = -0.0095; z = 47.9353 }, (* H5'' *) + { x = 34.7297; y = 1.9687; z = 47.6685 }, (* C4' *) + { x = 34.5880; y = 2.8482; z = 47.0404 }, (* H4' *) + { x = 34.3575; y = 2.2770; z = 49.0081 }, (* O4' *) + { x = 35.5157; y = 2.1993; z = 49.8389 }, (* C1' *) + { x = 35.9424; y = 3.2010; z = 49.8893 }, (* H1' *) + { x = 36.4701; y = 1.2820; z = 49.1169 }, (* C2' *) + { x = 36.1545; y = 0.2498; z = 49.2683 }, (* H2'' *) + { x = 37.8262; y = 1.4547; z = 49.4008 }, (* O2' *) + { x = 38.0227; y = 1.6945; z = 50.3094 }, (* H2' *) + { x = 36.2242; y = 1.6797; z = 47.6725 }, (* C3' *) + { x = 36.4297; y = 0.8197; z = 47.0351 }, (* H3' *) + { x = 37.0289; y = 2.8480; z = 47.4426 }, (* O3' *) + { x = 34.3005; y = 3.5042; z = 54.6070 }, (* N1 *) + { x = 34.7693; y = 3.7936; z = 52.2874 }, (* N3 *) + { x = 34.4484; y = 4.2541; z = 53.4939 }, (* C2 *) + { x = 34.9354; y = 2.4584; z = 52.2785 }, (* C4 *) + { x = 34.8092; y = 1.5915; z = 53.3422 }, (* C5 *) + { x = 34.4646; y = 2.1367; z = 54.6085 }, (* C6 *) (G ( - ( (34.2514), (5.5708), (53.6503)), (* N2 *) - ( (35.0641), (0.2835), (52.9337)), (* N7 *) - ( (35.2669), (1.6690), (51.1915)), (* N9 *) - ( (35.3288), (0.3954), (51.6563)), (* C8 *) - ( (34.3151), (1.5317), (55.6650)), (* O6 *) - ( (34.0623), (3.9797), (55.4539)), (* H1 *) - ( (33.9950), (6.0502), (54.5016)), (* H21 *) - ( (34.3512), (6.1432), (52.8242)), (* H22 *) - ( (35.5414), (-0.6006), (51.2679))) (* H8 *) + { x = 34.2514; y = 5.5708; z = 53.6503 }, (* N2 *) + { x = 35.0641; y = 0.2835; z = 52.9337 }, (* N7 *) + { x = 35.2669; y = 1.6690; z = 51.1915 }, (* N9 *) + { x = 35.3288; y = 0.3954; z = 51.6563 }, (* C8 *) + { x = 34.3151; y = 1.5317; z = 55.6650 }, (* O6 *) + { x = 34.0623; y = 3.9797; z = 55.4539 }, (* H1 *) + { x = 33.9950; y = 6.0502; z = 54.5016 }, (* H21 *) + { x = 34.3512; y = 6.1432; z = 52.8242 }, (* H22 *) + { x = 35.5414; y = -0.6006; z = 51.2679 }) (* H8 *) ) ) - let rG10 - = ( - ( (-0.0980), (-0.9723), (0.2122), (* dgf_base_tfo *) - (-0.9731), (0.1383), (0.1841), - (-0.2083), (-0.1885), (-0.9597), - (17.8469), (38.8265), (37.0475)), - ( (-0.8644), (-0.4956), (-0.0851), (* P_O3'_275_tfo *) - (-0.0427), (0.2409), (-0.9696), - (0.5010), (-0.8345), (-0.2294), - (4.0167), (54.5377), (12.4779)), - ( (0.3706), (-0.6167), (0.6945), (* P_O3'_180_tfo *) - (-0.2867), (-0.7872), (-0.5460), - (0.8834), (0.0032), (-0.4686), - (-52.9020), (18.6313), (-0.6709)), - ( (0.4155), (0.9025), (-0.1137), (* P_O3'_60_tfo *) - (0.9040), (-0.4236), (-0.0582), - (-0.1007), (-0.0786), (-0.9918), - (-7.6624), (-25.2080), (49.5181)), - ( (31.3810), (0.1400), (47.5810)), (* P *) - ( (29.9860), (0.6630), (47.6290)), (* O1P *) - ( (31.7210), (-0.6460), (48.8090)), (* O2P *) - ( (32.4940), (1.2540), (47.2740)), (* O5' *) - ( (32.5924), (2.3488), (48.2255)), (* C5' *) - ( (33.3674), (2.1246), (48.9584)), (* H5' *) - ( (31.5994), (2.5917), (48.6037)), (* H5'' *) - ( (33.0722), (3.5577), (47.4258)), (* C4' *) - ( (34.0333), (3.3761), (46.9447)), (* H4' *) - ( (32.0890), (3.8338), (46.4332)), (* O4' *) - ( (31.6377), (5.1787), (46.5914)), (* C1' *) - ( (32.2499), (5.8016), (45.9392)), (* H1' *) - ( (31.9167), (5.5319), (48.0305)), (* C2' *) - ( (31.1507), (5.0820), (48.6621)), (* H2'' *) - ( (32.0865), (6.8890), (48.3114)), (* O2' *) - ( (31.5363), (7.4819), (47.7942)), (* H2' *) - ( (33.2398), (4.8224), (48.2563)), (* C3' *) - ( (33.3166), (4.5570), (49.3108)), (* H3' *) - ( (34.2528), (5.7056), (47.7476)), (* O3' *) - ( (28.2782), (6.3049), (42.9364)), (* N1 *) - ( (30.4001), (5.8547), (43.9258)), (* N3 *) - ( (29.6195), (6.1568), (42.8913)), (* C2 *) - ( (29.7005), (5.7006), (45.0649)), (* C4 *) - ( (28.3383), (5.8221), (45.2343)), (* C5 *) - ( (27.5519), (6.1461), (44.0958)), (* C6 *) + = N( + { a= -0.0980; b= -0.9723; c=0.2122; (* dgf_base_tfo *) + d= -0.9731; e=0.1383; f=0.1841; + g= -0.2083; h= -0.1885; i= -0.9597; + tx=17.8469; ty=38.8265; tz=37.0475 }, + { a= -0.8644; b= -0.4956; c= -0.0851; (* P_O3'_275_tfo *) + d= -0.0427; e=0.2409; f= -0.9696; + g=0.5010; h= -0.8345; i= -0.2294; + tx=4.0167; ty=54.5377; tz=12.4779 }, + { a=0.3706; b= -0.6167; c=0.6945; (* P_O3'_180_tfo *) + d= -0.2867; e= -0.7872; f= -0.5460; + g=0.8834; h=0.0032; i= -0.4686; + tx= -52.9020; ty=18.6313; tz= -0.6709 }, + { a=0.4155; b=0.9025; c= -0.1137; (* P_O3'_60_tfo *) + d=0.9040; e= -0.4236; f= -0.0582; + g= -0.1007; h= -0.0786; i= -0.9918; + tx= -7.6624; ty= -25.2080; tz=49.5181 }, + { x = 31.3810; y = 0.1400; z = 47.5810 }, (* P *) + { x = 29.9860; y = 0.6630; z = 47.6290 }, (* O1P *) + { x = 31.7210; y = -0.6460; z = 48.8090 }, (* O2P *) + { x = 32.4940; y = 1.2540; z = 47.2740 }, (* O5' *) + { x = 32.5924; y = 2.3488; z = 48.2255 }, (* C5' *) + { x = 33.3674; y = 2.1246; z = 48.9584 }, (* H5' *) + { x = 31.5994; y = 2.5917; z = 48.6037 }, (* H5'' *) + { x = 33.0722; y = 3.5577; z = 47.4258 }, (* C4' *) + { x = 34.0333; y = 3.3761; z = 46.9447 }, (* H4' *) + { x = 32.0890; y = 3.8338; z = 46.4332 }, (* O4' *) + { x = 31.6377; y = 5.1787; z = 46.5914 }, (* C1' *) + { x = 32.2499; y = 5.8016; z = 45.9392 }, (* H1' *) + { x = 31.9167; y = 5.5319; z = 48.0305 }, (* C2' *) + { x = 31.1507; y = 5.0820; z = 48.6621 }, (* H2'' *) + { x = 32.0865; y = 6.8890; z = 48.3114 }, (* O2' *) + { x = 31.5363; y = 7.4819; z = 47.7942 }, (* H2' *) + { x = 33.2398; y = 4.8224; z = 48.2563 }, (* C3' *) + { x = 33.3166; y = 4.5570; z = 49.3108 }, (* H3' *) + { x = 34.2528; y = 5.7056; z = 47.7476 }, (* O3' *) + { x = 28.2782; y = 6.3049; z = 42.9364 }, (* N1 *) + { x = 30.4001; y = 5.8547; z = 43.9258 }, (* N3 *) + { x = 29.6195; y = 6.1568; z = 42.8913 }, (* C2 *) + { x = 29.7005; y = 5.7006; z = 45.0649 }, (* C4 *) + { x = 28.3383; y = 5.8221; z = 45.2343 }, (* C5 *) + { x = 27.5519; y = 6.1461; z = 44.0958 }, (* C6 *) (G ( - ( (30.1838), (6.3385), (41.6890)), (* N2 *) - ( (27.9936), (5.5926), (46.5651)), (* N7 *) - ( (30.2046), (5.3825), (46.3136)), (* N9 *) - ( (29.1371), (5.3398), (47.1506)), (* C8 *) - ( (26.3361), (6.3024), (44.0495)), (* O6 *) - ( (27.8122), (6.5394), (42.0833)), (* H1 *) - ( (29.7125), (6.5595), (40.8235)), (* H21 *) - ( (31.1859), (6.2231), (41.6389)), (* H22 *) - ( (28.9406), (5.1504), (48.2059))) (* H8 *) + { x = 30.1838; y = 6.3385; z = 41.6890 }, (* N2 *) + { x = 27.9936; y = 5.5926; z = 46.5651 }, (* N7 *) + { x = 30.2046; y = 5.3825; z = 46.3136 }, (* N9 *) + { x = 29.1371; y = 5.3398; z = 47.1506 }, (* C8 *) + { x = 26.3361; y = 6.3024; z = 44.0495 }, (* O6 *) + { x = 27.8122; y = 6.5394; z = 42.0833 }, (* H1 *) + { x = 29.7125; y = 6.5595; z = 40.8235 }, (* H21 *) + { x = 31.1859; y = 6.2231; z = 41.6389 }, (* H22 *) + { x = 28.9406; y = 5.1504; z = 48.2059 }) (* H8 *) ) ) - let rGs = [rG01;rG02;rG03;rG04;rG05;rG06;rG07;rG08;rG09;rG10] - let rU - = ( - ( (-0.0359), (-0.8071), (0.5894), (* dgf_base_tfo *) - (-0.2669), (0.5761), (0.7726), - (-0.9631), (-0.1296), (-0.2361), - (0.1584), (8.3434), (0.5434)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2430), (-8.2420), (2.8260)), (* C5' *) - ( (5.1974), (-8.8497), (1.9223)), (* H5' *) - ( (5.5548), (-8.7348), (3.7469)), (* H5'' *) - ( (6.3140), (-7.2060), (2.5510)), (* C4' *) - ( (7.2954), (-7.6762), (2.4898)), (* H4' *) - ( (6.0140), (-6.5420), (1.2890)), (* O4' *) - ( (6.4190), (-5.1840), (1.3620)), (* C1' *) - ( (7.1608), (-5.0495), (0.5747)), (* H1' *) - ( (7.0760), (-4.9560), (2.7270)), (* C2' *) - ( (6.7770), (-3.9803), (3.1099)), (* H2'' *) - ( (8.4500), (-5.1930), (2.5810)), (* O2' *) - ( (8.8309), (-4.8755), (1.7590)), (* H2' *) - ( (6.4060), (-6.0590), (3.5580)), (* C3' *) - ( (5.4021), (-5.7313), (3.8281)), (* H3' *) - ( (7.1570), (-6.4240), (4.7070)), (* O3' *) - ( (5.2170), (-4.3260), (1.1690)), (* N1 *) - ( (4.2960), (-2.2560), (0.6290)), (* N3 *) - ( (5.4330), (-3.0200), (0.7990)), (* C2 *) - ( (2.9930), (-2.6780), (0.7940)), (* C4 *) - ( (2.8670), (-4.0630), (1.1830)), (* C5 *) - ( (3.9570), (-4.8300), (1.3550)), (* C6 *) + = 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' *) + { x = 6.4190; y = -5.1840; z = 1.3620 }, (* C1' *) + { x = 7.1608; y = -5.0495; z = 0.5747 }, (* H1' *) + { x = 7.0760; y = -4.9560; z = 2.7270 }, (* C2' *) + { x = 6.7770; y = -3.9803; z = 3.1099 }, (* H2'' *) + { x = 8.4500; y = -5.1930; z = 2.5810 }, (* O2' *) + { x = 8.8309; y = -4.8755; z = 1.7590 }, (* H2' *) + { x = 6.4060; y = -6.0590; z = 3.5580 }, (* C3' *) + { x = 5.4021; y = -5.7313; z = 3.8281 }, (* H3' *) + { x = 7.1570; y = -6.4240; z = 4.7070 }, (* O3' *) + { x = 5.2170; y = -4.3260; z = 1.1690 }, (* N1 *) + { x = 4.2960; y = -2.2560; z = 0.6290 }, (* N3 *) + { x = 5.4330; y = -3.0200; z = 0.7990 }, (* C2 *) + { x = 2.9930; y = -2.6780; z = 0.7940 }, (* C4 *) + { x = 2.8670; y = -4.0630; z = 1.1830 }, (* C5 *) + { x = 3.9570; y = -4.8300; z = 1.3550 }, (* C6 *) (U ( - ( (6.5470), (-2.5560), (0.6290)), (* O2 *) - ( (2.0540), (-1.9000), (0.6130)), (* O4 *) - ( (4.4300), (-1.3020), (0.3600)), (* H3 *) - ( (1.9590), (-4.4570), (1.3250)), (* H5 *) - ( (3.8460), (-5.7860), (1.6240))) (* H6 *) + { x = 6.5470; y = -2.5560; z = 0.6290 }, (* O2 *) + { x = 2.0540; y = -1.9000; z = 0.6130 }, (* O4 *) + { x = 4.4300; y = -1.3020; z = 0.3600 }, (* H3 *) + { x = 1.9590; y = -4.4570; z = 1.3250 }, (* H5 *) + { x = 3.8460; y = -5.7860; z = 1.6240 }) (* H6 *) ) ) - let rU01 - = ( - ( (-0.0137), (-0.8012), (0.5983), (* dgf_base_tfo *) - (-0.2523), (0.5817), (0.7733), - (-0.9675), (-0.1404), (-0.2101), - (0.2031), (8.3874), (0.4228)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2416), (-8.2422), (2.8181)), (* C5' *) - ( (5.2050), (-8.8128), (1.8901)), (* H5' *) - ( (5.5368), (-8.7738), (3.7227)), (* H5'' *) - ( (6.3232), (-7.2037), (2.6002)), (* C4' *) - ( (7.3048), (-7.6757), (2.5577)), (* H4' *) - ( (6.0635), (-6.5092), (1.3456)), (* O4' *) - ( (6.4697), (-5.1547), (1.4629)), (* C1' *) - ( (7.2354), (-5.0043), (0.7018)), (* H1' *) - ( (7.0856), (-4.9610), (2.8521)), (* C2' *) - ( (6.7777), (-3.9935), (3.2487)), (* H2'' *) - ( (8.4627), (-5.1992), (2.7423)), (* O2' *) - ( (8.8693), (-4.8638), (1.9399)), (* H2' *) - ( (6.3877), (-6.0809), (3.6362)), (* C3' *) - ( (5.3770), (-5.7562), (3.8834)), (* H3' *) - ( (7.1024), (-6.4754), (4.7985)), (* O3' *) - ( (5.2764), (-4.2883), (1.2538)), (* N1 *) - ( (4.3777), (-2.2062), (0.7229)), (* N3 *) - ( (5.5069), (-2.9779), (0.9088)), (* C2 *) - ( (3.0693), (-2.6246), (0.8500)), (* C4 *) - ( (2.9279), (-4.0146), (1.2149)), (* C5 *) - ( (4.0101), (-4.7892), (1.4017)), (* C6 *) + = N( + { a= -0.0137; b= -0.8012; c=0.5983; (* dgf_base_tfo *) + d= -0.2523; e=0.5817; f=0.7733; + g= -0.9675; h= -0.1404; i= -0.2101; + tx=0.2031; ty=8.3874; tz=0.4228 }, + { 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 = 5.2416; y = -8.2422; z = 2.8181 }, (* C5' *) + { x = 5.2050; y = -8.8128; z = 1.8901 }, (* H5' *) + { x = 5.5368; y = -8.7738; z = 3.7227 }, (* H5'' *) + { x = 6.3232; y = -7.2037; z = 2.6002 }, (* C4' *) + { x = 7.3048; y = -7.6757; z = 2.5577 }, (* H4' *) + { x = 6.0635; y = -6.5092; z = 1.3456 }, (* O4' *) + { x = 6.4697; y = -5.1547; z = 1.4629 }, (* C1' *) + { x = 7.2354; y = -5.0043; z = 0.7018 }, (* H1' *) + { x = 7.0856; y = -4.9610; z = 2.8521 }, (* C2' *) + { x = 6.7777; y = -3.9935; z = 3.2487 }, (* H2'' *) + { x = 8.4627; y = -5.1992; z = 2.7423 }, (* O2' *) + { x = 8.8693; y = -4.8638; z = 1.9399 }, (* H2' *) + { x = 6.3877; y = -6.0809; z = 3.6362 }, (* C3' *) + { x = 5.3770; y = -5.7562; z = 3.8834 }, (* H3' *) + { x = 7.1024; y = -6.4754; z = 4.7985 }, (* O3' *) + { x = 5.2764; y = -4.2883; z = 1.2538 }, (* N1 *) + { x = 4.3777; y = -2.2062; z = 0.7229 }, (* N3 *) + { x = 5.5069; y = -2.9779; z = 0.9088 }, (* C2 *) + { x = 3.0693; y = -2.6246; z = 0.8500 }, (* C4 *) + { x = 2.9279; y = -4.0146; z = 1.2149 }, (* C5 *) + { x = 4.0101; y = -4.7892; z = 1.4017 }, (* C6 *) (U ( - ( (6.6267), (-2.5166), (0.7728)), (* O2 *) - ( (2.1383), (-1.8396), (0.6581)), (* O4 *) - ( (4.5223), (-1.2489), (0.4716)), (* H3 *) - ( (2.0151), (-4.4065), (1.3290)), (* H5 *) - ( (3.8886), (-5.7486), (1.6535))) (* H6 *) + { x = 6.6267; y = -2.5166; z = 0.7728 }, (* O2 *) + { x = 2.1383; y = -1.8396; z = 0.6581 }, (* O4 *) + { x = 4.5223; y = -1.2489; z = 0.4716 }, (* H3 *) + { x = 2.0151; y = -4.4065; z = 1.3290 }, (* H5 *) + { x = 3.8886; y = -5.7486; z = 1.6535 }) (* H6 *) ) ) - let rU02 - = ( - ( (0.5141), (0.0246), (0.8574), (* dgf_base_tfo *) - (-0.5547), (-0.7529), (0.3542), - (0.6542), (-0.6577), (-0.3734), - (-9.1111), (-3.4598), (-3.2939)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (4.3825), (-6.6585), (4.0489)), (* C5' *) - ( (4.6841), (-7.2019), (4.9443)), (* H5' *) - ( (3.6189), (-5.8889), (4.1625)), (* H5'' *) - ( (5.6255), (-5.9175), (3.5998)), (* C4' *) - ( (5.8732), (-5.1228), (4.3034)), (* H4' *) - ( (6.7337), (-6.8605), (3.5222)), (* O4' *) - ( (7.5932), (-6.4923), (2.4548)), (* C1' *) - ( (8.5661), (-6.2983), (2.9064)), (* H1' *) - ( (7.0527), (-5.2012), (1.8322)), (* C2' *) - ( (7.1627), (-5.2525), (0.7490)), (* H2'' *) - ( (7.6666), (-4.1249), (2.4880)), (* O2' *) - ( (8.5944), (-4.2543), (2.6981)), (* H2' *) - ( (5.5661), (-5.3029), (2.2009)), (* C3' *) - ( (5.0841), (-6.0018), (1.5172)), (* H3' *) - ( (4.9062), (-4.0452), (2.2042)), (* O3' *) - ( (7.6298), (-7.6136), (1.4752)), (* N1 *) - ( (8.6945), (-8.7046), (-0.2857)), (* N3 *) - ( (8.6943), (-7.6514), (0.6066)), (* C2 *) - ( (7.7426), (-9.6987), (-0.3801)), (* C4 *) - ( (6.6642), (-9.5742), (0.5722)), (* C5 *) - ( (6.6391), (-8.5592), (1.4526)), (* C6 *) + = N( + { a=0.5141; b=0.0246; c=0.8574; (* dgf_base_tfo *) + d= -0.5547; e= -0.7529; f=0.3542; + g=0.6542; h= -0.6577; i= -0.3734; + tx= -9.1111; ty= -3.4598; tz= -3.2939 }, + { 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 = 4.3825; y = -6.6585; z = 4.0489 }, (* C5' *) + { x = 4.6841; y = -7.2019; z = 4.9443 }, (* H5' *) + { x = 3.6189; y = -5.8889; z = 4.1625 }, (* H5'' *) + { x = 5.6255; y = -5.9175; z = 3.5998 }, (* C4' *) + { x = 5.8732; y = -5.1228; z = 4.3034 }, (* H4' *) + { x = 6.7337; y = -6.8605; z = 3.5222 }, (* O4' *) + { x = 7.5932; y = -6.4923; z = 2.4548 }, (* C1' *) + { x = 8.5661; y = -6.2983; z = 2.9064 }, (* H1' *) + { x = 7.0527; y = -5.2012; z = 1.8322 }, (* C2' *) + { x = 7.1627; y = -5.2525; z = 0.7490 }, (* H2'' *) + { x = 7.6666; y = -4.1249; z = 2.4880 }, (* O2' *) + { x = 8.5944; y = -4.2543; z = 2.6981 }, (* H2' *) + { x = 5.5661; y = -5.3029; z = 2.2009 }, (* C3' *) + { x = 5.0841; y = -6.0018; z = 1.5172 }, (* H3' *) + { x = 4.9062; y = -4.0452; z = 2.2042 }, (* O3' *) + { x = 7.6298; y = -7.6136; z = 1.4752 }, (* N1 *) + { x = 8.6945; y = -8.7046; z = -0.2857 }, (* N3 *) + { x = 8.6943; y = -7.6514; z = 0.6066 }, (* C2 *) + { x = 7.7426; y = -9.6987; z = -0.3801 }, (* C4 *) + { x = 6.6642; y = -9.5742; z = 0.5722 }, (* C5 *) + { x = 6.6391; y = -8.5592; z = 1.4526 }, (* C6 *) (U ( - ( (9.5840), (-6.8186), (0.6136)), (* O2 *) - ( (7.8505), (-10.5925), (-1.2223)), (* O4 *) - ( (9.4601), (-8.7514), (-0.9277)), (* H3 *) - ( (5.9281), (-10.2509), (0.5782)), (* H5 *) - ( (5.8831), (-8.4931), (2.1028))) (* H6 *) + { x = 9.5840; y = -6.8186; z = 0.6136 }, (* O2 *) + { x = 7.8505; y = -10.5925; z = -1.2223 }, (* O4 *) + { x = 9.4601; y = -8.7514; z = -0.9277 }, (* H3 *) + { x = 5.9281; y = -10.2509; z = 0.5782 }, (* H5 *) + { x = 5.8831; y = -8.4931; z = 2.1028 }) (* H6 *) ) ) - let rU03 - = ( - ( (-0.4993), (0.0476), (0.8651), (* dgf_base_tfo *) - (0.8078), (-0.3353), (0.4847), - (0.3132), (0.9409), (0.1290), - (6.2989), (-5.2303), (-3.8577)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (3.9938), (-6.7042), (1.9023)), (* C5' *) - ( (3.2332), (-5.9343), (2.0319)), (* H5' *) - ( (3.9666), (-7.2863), (0.9812)), (* H5'' *) - ( (5.3098), (-5.9546), (1.8564)), (* C4' *) - ( (5.3863), (-5.3702), (0.9395)), (* H4' *) - ( (5.3851), (-5.0642), (3.0076)), (* O4' *) - ( (6.7315), (-4.9724), (3.4462)), (* C1' *) - ( (7.0033), (-3.9202), (3.3619)), (* H1' *) - ( (7.5997), (-5.8018), (2.4948)), (* C2' *) - ( (8.3627), (-6.3254), (3.0707)), (* H2'' *) - ( (8.0410), (-4.9501), (1.4724)), (* O2' *) - ( (8.2781), (-4.0644), (1.7570)), (* H2' *) - ( (6.5701), (-6.8129), (1.9714)), (* C3' *) - ( (6.4186), (-7.5809), (2.7299)), (* H3' *) - ( (6.9357), (-7.3841), (0.7235)), (* O3' *) - ( (6.8024), (-5.4718), (4.8475)), (* N1 *) - ( (7.9218), (-5.5700), (6.8877)), (* N3 *) - ( (7.8908), (-5.0886), (5.5944)), (* C2 *) - ( (6.9789), (-6.3827), (7.4823)), (* C4 *) - ( (5.8742), (-6.7319), (6.6202)), (* C5 *) - ( (5.8182), (-6.2769), (5.3570)), (* C6 *) + = N( + { a= -0.4993; b=0.0476; c=0.8651; (* dgf_base_tfo *) + d=0.8078; e= -0.3353; f=0.4847; + g=0.3132; h=0.9409; i=0.1290; + tx=6.2989; ty= -5.2303; tz= -3.8577 }, + { 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 = 3.9938; y = -6.7042; z = 1.9023 }, (* C5' *) + { x = 3.2332; y = -5.9343; z = 2.0319 }, (* H5' *) + { x = 3.9666; y = -7.2863; z = 0.9812 }, (* H5'' *) + { x = 5.3098; y = -5.9546; z = 1.8564 }, (* C4' *) + { x = 5.3863; y = -5.3702; z = 0.9395 }, (* H4' *) + { x = 5.3851; y = -5.0642; z = 3.0076 }, (* O4' *) + { x = 6.7315; y = -4.9724; z = 3.4462 }, (* C1' *) + { x = 7.0033; y = -3.9202; z = 3.3619 }, (* H1' *) + { x = 7.5997; y = -5.8018; z = 2.4948 }, (* C2' *) + { x = 8.3627; y = -6.3254; z = 3.0707 }, (* H2'' *) + { x = 8.0410; y = -4.9501; z = 1.4724 }, (* O2' *) + { x = 8.2781; y = -4.0644; z = 1.7570 }, (* H2' *) + { x = 6.5701; y = -6.8129; z = 1.9714 }, (* C3' *) + { x = 6.4186; y = -7.5809; z = 2.7299 }, (* H3' *) + { x = 6.9357; y = -7.3841; z = 0.7235 }, (* O3' *) + { x = 6.8024; y = -5.4718; z = 4.8475 }, (* N1 *) + { x = 7.9218; y = -5.5700; z = 6.8877 }, (* N3 *) + { x = 7.8908; y = -5.0886; z = 5.5944 }, (* C2 *) + { x = 6.9789; y = -6.3827; z = 7.4823 }, (* C4 *) + { x = 5.8742; y = -6.7319; z = 6.6202 }, (* C5 *) + { x = 5.8182; y = -6.2769; z = 5.3570 }, (* C6 *) (U ( - ( (8.7747), (-4.3728), (5.1568)), (* O2 *) - ( (7.1154), (-6.7509), (8.6509)), (* O4 *) - ( (8.7055), (-5.3037), (7.4491)), (* H3 *) - ( (5.1416), (-7.3178), (6.9665)), (* H5 *) - ( (5.0441), (-6.5310), (4.7784))) (* H6 *) + { x = 8.7747; y = -4.3728; z = 5.1568 }, (* O2 *) + { x = 7.1154; y = -6.7509; z = 8.6509 }, (* O4 *) + { x = 8.7055; y = -5.3037; z = 7.4491 }, (* H3 *) + { x = 5.1416; y = -7.3178; z = 6.9665 }, (* H5 *) + { x = 5.0441; y = -6.5310; z = 4.7784 }) (* H6 *) ) ) - let rU04 - = ( - ( (-0.5669), (-0.8012), (0.1918), (* dgf_base_tfo *) - (-0.8129), (0.5817), (0.0273), - (-0.1334), (-0.1404), (-0.9811), - (-0.3279), (8.3874), (0.3355)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2416), (-8.2422), (2.8181)), (* C5' *) - ( (5.2050), (-8.8128), (1.8901)), (* H5' *) - ( (5.5368), (-8.7738), (3.7227)), (* H5'' *) - ( (6.3232), (-7.2037), (2.6002)), (* C4' *) - ( (7.3048), (-7.6757), (2.5577)), (* H4' *) - ( (6.0635), (-6.5092), (1.3456)), (* O4' *) - ( (6.4697), (-5.1547), (1.4629)), (* C1' *) - ( (7.2354), (-5.0043), (0.7018)), (* H1' *) - ( (7.0856), (-4.9610), (2.8521)), (* C2' *) - ( (6.7777), (-3.9935), (3.2487)), (* H2'' *) - ( (8.4627), (-5.1992), (2.7423)), (* O2' *) - ( (8.8693), (-4.8638), (1.9399)), (* H2' *) - ( (6.3877), (-6.0809), (3.6362)), (* C3' *) - ( (5.3770), (-5.7562), (3.8834)), (* H3' *) - ( (7.1024), (-6.4754), (4.7985)), (* O3' *) - ( (5.2764), (-4.2883), (1.2538)), (* N1 *) - ( (3.8961), (-3.0896), (-0.1893)), (* N3 *) - ( (5.0095), (-3.8907), (-0.0346)), (* C2 *) - ( (3.0480), (-2.6632), (0.8116)), (* C4 *) - ( (3.4093), (-3.1310), (2.1292)), (* C5 *) - ( (4.4878), (-3.9124), (2.3088)), (* C6 *) + = N( + { a= -0.5669; b= -0.8012; c=0.1918; (* dgf_base_tfo *) + d= -0.8129; e=0.5817; f=0.0273; + g= -0.1334; h= -0.1404; i= -0.9811; + tx= -0.3279; ty=8.3874; tz=0.3355 }, + { 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 = 5.2416; y = -8.2422; z = 2.8181 }, (* C5' *) + { x = 5.2050; y = -8.8128; z = 1.8901 }, (* H5' *) + { x = 5.5368; y = -8.7738; z = 3.7227 }, (* H5'' *) + { x = 6.3232; y = -7.2037; z = 2.6002 }, (* C4' *) + { x = 7.3048; y = -7.6757; z = 2.5577 }, (* H4' *) + { x = 6.0635; y = -6.5092; z = 1.3456 }, (* O4' *) + { x = 6.4697; y = -5.1547; z = 1.4629 }, (* C1' *) + { x = 7.2354; y = -5.0043; z = 0.7018 }, (* H1' *) + { x = 7.0856; y = -4.9610; z = 2.8521 }, (* C2' *) + { x = 6.7777; y = -3.9935; z = 3.2487 }, (* H2'' *) + { x = 8.4627; y = -5.1992; z = 2.7423 }, (* O2' *) + { x = 8.8693; y = -4.8638; z = 1.9399 }, (* H2' *) + { x = 6.3877; y = -6.0809; z = 3.6362 }, (* C3' *) + { x = 5.3770; y = -5.7562; z = 3.8834 }, (* H3' *) + { x = 7.1024; y = -6.4754; z = 4.7985 }, (* O3' *) + { x = 5.2764; y = -4.2883; z = 1.2538 }, (* N1 *) + { x = 3.8961; y = -3.0896; z = -0.1893 }, (* N3 *) + { x = 5.0095; y = -3.8907; z = -0.0346 }, (* C2 *) + { x = 3.0480; y = -2.6632; z = 0.8116 }, (* C4 *) + { x = 3.4093; y = -3.1310; z = 2.1292 }, (* C5 *) + { x = 4.4878; y = -3.9124; z = 2.3088 }, (* C6 *) (U ( - ( (5.7005), (-4.2164), (-0.9842)), (* O2 *) - ( (2.0800), (-1.9458), (0.5503)), (* O4 *) - ( (3.6834), (-2.7882), (-1.1190)), (* H3 *) - ( (2.8508), (-2.8721), (2.9172)), (* H5 *) - ( (4.7188), (-4.2247), (3.2295))) (* H6 *) + { x = 5.7005; y = -4.2164; z = -0.9842 }, (* O2 *) + { x = 2.0800; y = -1.9458; z = 0.5503 }, (* O4 *) + { x = 3.6834; y = -2.7882; z = -1.1190 }, (* H3 *) + { x = 2.8508; y = -2.8721; z = 2.9172 }, (* H5 *) + { x = 4.7188; y = -4.2247; z = 3.2295 }) (* H6 *) ) ) - let rU05 - = ( - ( (-0.6298), (0.0246), (0.7763), (* dgf_base_tfo *) - (-0.5226), (-0.7529), (-0.4001), - (0.5746), (-0.6577), (0.4870), - (-0.0208), (-3.4598), (-9.6882)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (4.3825), (-6.6585), (4.0489)), (* C5' *) - ( (4.6841), (-7.2019), (4.9443)), (* H5' *) - ( (3.6189), (-5.8889), (4.1625)), (* H5'' *) - ( (5.6255), (-5.9175), (3.5998)), (* C4' *) - ( (5.8732), (-5.1228), (4.3034)), (* H4' *) - ( (6.7337), (-6.8605), (3.5222)), (* O4' *) - ( (7.5932), (-6.4923), (2.4548)), (* C1' *) - ( (8.5661), (-6.2983), (2.9064)), (* H1' *) - ( (7.0527), (-5.2012), (1.8322)), (* C2' *) - ( (7.1627), (-5.2525), (0.7490)), (* H2'' *) - ( (7.6666), (-4.1249), (2.4880)), (* O2' *) - ( (8.5944), (-4.2543), (2.6981)), (* H2' *) - ( (5.5661), (-5.3029), (2.2009)), (* C3' *) - ( (5.0841), (-6.0018), (1.5172)), (* H3' *) - ( (4.9062), (-4.0452), (2.2042)), (* O3' *) - ( (7.6298), (-7.6136), (1.4752)), (* N1 *) - ( (8.5977), (-9.5977), (0.7329)), (* N3 *) - ( (8.5951), (-8.5745), (1.6594)), (* C2 *) - ( (7.7372), (-9.7371), (-0.3364)), (* C4 *) - ( (6.7596), (-8.6801), (-0.4476)), (* C5 *) - ( (6.7338), (-7.6721), (0.4408)), (* C6 *) + = N( + { a= -0.6298; b=0.0246; c=0.7763; (* dgf_base_tfo *) + d= -0.5226; e= -0.7529; f= -0.4001; + g=0.5746; h= -0.6577; i=0.4870; + tx= -0.0208; ty= -3.4598; tz= -9.6882 }, + { 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 = 4.3825; y = -6.6585; z = 4.0489 }, (* C5' *) + { x = 4.6841; y = -7.2019; z = 4.9443 }, (* H5' *) + { x = 3.6189; y = -5.8889; z = 4.1625 }, (* H5'' *) + { x = 5.6255; y = -5.9175; z = 3.5998 }, (* C4' *) + { x = 5.8732; y = -5.1228; z = 4.3034 }, (* H4' *) + { x = 6.7337; y = -6.8605; z = 3.5222 }, (* O4' *) + { x = 7.5932; y = -6.4923; z = 2.4548 }, (* C1' *) + { x = 8.5661; y = -6.2983; z = 2.9064 }, (* H1' *) + { x = 7.0527; y = -5.2012; z = 1.8322 }, (* C2' *) + { x = 7.1627; y = -5.2525; z = 0.7490 }, (* H2'' *) + { x = 7.6666; y = -4.1249; z = 2.4880 }, (* O2' *) + { x = 8.5944; y = -4.2543; z = 2.6981 }, (* H2' *) + { x = 5.5661; y = -5.3029; z = 2.2009 }, (* C3' *) + { x = 5.0841; y = -6.0018; z = 1.5172 }, (* H3' *) + { x = 4.9062; y = -4.0452; z = 2.2042 }, (* O3' *) + { x = 7.6298; y = -7.6136; z = 1.4752 }, (* N1 *) + { x = 8.5977; y = -9.5977; z = 0.7329 }, (* N3 *) + { x = 8.5951; y = -8.5745; z = 1.6594 }, (* C2 *) + { x = 7.7372; y = -9.7371; z = -0.3364 }, (* C4 *) + { x = 6.7596; y = -8.6801; z = -0.4476 }, (* C5 *) + { x = 6.7338; y = -7.6721; z = 0.4408 }, (* C6 *) (U ( - ( (9.3993), (-8.5377), (2.5743)), (* O2 *) - ( (7.8374), (-10.6990), (-1.1008)), (* O4 *) - ( (9.2924), (-10.3081), (0.8477)), (* H3 *) - ( (6.0932), (-8.6982), (-1.1929)), (* H5 *) - ( (6.0481), (-6.9515), (0.3446))) (* H6 *) + { x = 9.3993; y = -8.5377; z = 2.5743 }, (* O2 *) + { x = 7.8374; y = -10.6990; z = -1.1008 }, (* O4 *) + { x = 9.2924; y = -10.3081; z = 0.8477 }, (* H3 *) + { x = 6.0932; y = -8.6982; z = -1.1929 }, (* H5 *) + { x = 6.0481; y = -6.9515; z = 0.3446 }) (* H6 *) ) ) - let rU06 - = ( - ( (-0.9837), (0.0476), (-0.1733), (* dgf_base_tfo *) - (-0.1792), (-0.3353), (0.9249), - (-0.0141), (0.9409), (0.3384), - (5.7793), (-5.2303), (4.5997)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (3.9938), (-6.7042), (1.9023)), (* C5' *) - ( (3.2332), (-5.9343), (2.0319)), (* H5' *) - ( (3.9666), (-7.2863), (0.9812)), (* H5'' *) - ( (5.3098), (-5.9546), (1.8564)), (* C4' *) - ( (5.3863), (-5.3702), (0.9395)), (* H4' *) - ( (5.3851), (-5.0642), (3.0076)), (* O4' *) - ( (6.7315), (-4.9724), (3.4462)), (* C1' *) - ( (7.0033), (-3.9202), (3.3619)), (* H1' *) - ( (7.5997), (-5.8018), (2.4948)), (* C2' *) - ( (8.3627), (-6.3254), (3.0707)), (* H2'' *) - ( (8.0410), (-4.9501), (1.4724)), (* O2' *) - ( (8.2781), (-4.0644), (1.7570)), (* H2' *) - ( (6.5701), (-6.8129), (1.9714)), (* C3' *) - ( (6.4186), (-7.5809), (2.7299)), (* H3' *) - ( (6.9357), (-7.3841), (0.7235)), (* O3' *) - ( (6.8024), (-5.4718), (4.8475)), (* N1 *) - ( (6.6920), (-5.0495), (7.1354)), (* N3 *) - ( (6.6201), (-4.5500), (5.8506)), (* C2 *) - ( (6.9254), (-6.3614), (7.4926)), (* C4 *) - ( (7.1046), (-7.2543), (6.3718)), (* C5 *) - ( (7.0391), (-6.7951), (5.1106)), (* C6 *) + = N( + { a= -0.9837; b=0.0476; c= -0.1733; (* dgf_base_tfo *) + d= -0.1792; e= -0.3353; f=0.9249; + g= -0.0141; h=0.9409; i=0.3384; + tx=5.7793; ty= -5.2303; tz=4.5997 }, + { 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 = 3.9938; y = -6.7042; z = 1.9023 }, (* C5' *) + { x = 3.2332; y = -5.9343; z = 2.0319 }, (* H5' *) + { x = 3.9666; y = -7.2863; z = 0.9812 }, (* H5'' *) + { x = 5.3098; y = -5.9546; z = 1.8564 }, (* C4' *) + { x = 5.3863; y = -5.3702; z = 0.9395 }, (* H4' *) + { x = 5.3851; y = -5.0642; z = 3.0076 }, (* O4' *) + { x = 6.7315; y = -4.9724; z = 3.4462 }, (* C1' *) + { x = 7.0033; y = -3.9202; z = 3.3619 }, (* H1' *) + { x = 7.5997; y = -5.8018; z = 2.4948 }, (* C2' *) + { x = 8.3627; y = -6.3254; z = 3.0707 }, (* H2'' *) + { x = 8.0410; y = -4.9501; z = 1.4724 }, (* O2' *) + { x = 8.2781; y = -4.0644; z = 1.7570 }, (* H2' *) + { x = 6.5701; y = -6.8129; z = 1.9714 }, (* C3' *) + { x = 6.4186; y = -7.5809; z = 2.7299 }, (* H3' *) + { x = 6.9357; y = -7.3841; z = 0.7235 }, (* O3' *) + { x = 6.8024; y = -5.4718; z = 4.8475 }, (* N1 *) + { x = 6.6920; y = -5.0495; z = 7.1354 }, (* N3 *) + { x = 6.6201; y = -4.5500; z = 5.8506 }, (* C2 *) + { x = 6.9254; y = -6.3614; z = 7.4926 }, (* C4 *) + { x = 7.1046; y = -7.2543; z = 6.3718 }, (* C5 *) + { x = 7.0391; y = -6.7951; z = 5.1106 }, (* C6 *) (U ( - ( (6.4083), (-3.3696), (5.6340)), (* O2 *) - ( (6.9679), (-6.6901), (8.6800)), (* O4 *) - ( (6.5626), (-4.3957), (7.8812)), (* H3 *) - ( (7.2781), (-8.2254), (6.5350)), (* H5 *) - ( (7.1657), (-7.4312), (4.3503))) (* H6 *) + { x = 6.4083; y = -3.3696; z = 5.6340 }, (* O2 *) + { x = 6.9679; y = -6.6901; z = 8.6800 }, (* O4 *) + { x = 6.5626; y = -4.3957; z = 7.8812 }, (* H3 *) + { x = 7.2781; y = -8.2254; z = 6.5350 }, (* H5 *) + { x = 7.1657; y = -7.4312; z = 4.3503 }) (* H6 *) ) ) - let rU07 - = ( - ( (-0.9434), (0.3172), (0.0971), (* dgf_base_tfo *) - (0.2294), (0.4125), (0.8816), - (0.2396), (0.8539), (-0.4619), - (8.3625), (-52.7147), (1.3745)), - ( (0.2765), (-0.1121), (-0.9545), (* P_O3'_275_tfo *) - (-0.8297), (0.4733), (-0.2959), - (0.4850), (0.8737), (0.0379), - (-14.7774), (-45.2464), (21.9088)), - ( (0.1063), (-0.6334), (-0.7665), (* P_O3'_180_tfo *) - (-0.5932), (-0.6591), (0.4624), - (-0.7980), (0.4055), (-0.4458), - (43.7634), (4.3296), (28.4890)), - ( (0.7136), (-0.5032), (-0.4873), (* P_O3'_60_tfo *) - (0.6803), (0.3317), (0.6536), - (-0.1673), (-0.7979), (0.5791), - (-17.1858), (41.4390), (-27.0751)), - ( (21.3880), (15.0780), (45.5770)), (* P *) - ( (21.9980), (14.5500), (46.8210)), (* O1P *) - ( (21.1450), (14.0270), (44.5420)), (* O2P *) - ( (22.1250), (16.3600), (44.9460)), (* O5' *) - ( (21.5037), (16.8594), (43.7323)), (* C5' *) - ( (20.8147), (17.6663), (43.9823)), (* H5' *) - ( (21.1086), (16.0230), (43.1557)), (* H5'' *) - ( (22.5654), (17.4874), (42.8616)), (* C4' *) - ( (22.1584), (17.7243), (41.8785)), (* H4' *) - ( (23.0557), (18.6826), (43.4751)), (* O4' *) - ( (24.4788), (18.6151), (43.6455)), (* C1' *) - ( (24.9355), (19.0840), (42.7739)), (* H1' *) - ( (24.7958), (17.1427), (43.6474)), (* C2' *) - ( (24.5652), (16.7400), (44.6336)), (* H2'' *) - ( (26.1041), (16.8773), (43.2455)), (* O2' *) - ( (26.7516), (17.5328), (43.5149)), (* H2' *) - ( (23.8109), (16.5979), (42.6377)), (* C3' *) - ( (23.5756), (15.5686), (42.9084)), (* H3' *) - ( (24.2890), (16.7447), (41.2729)), (* O3' *) - ( (24.9420), (19.2174), (44.8923)), (* N1 *) - ( (25.2655), (20.5636), (44.8883)), (* N3 *) - ( (25.1663), (21.2219), (43.8561)), (* C2 *) - ( (25.6911), (21.1219), (46.0494)), (* C4 *) - ( (25.8051), (20.4068), (47.2048)), (* C5 *) - ( (26.2093), (20.9962), (48.2534)), (* C6 *) + = N( + { a= -0.9434; b=0.3172; c=0.0971; (* dgf_base_tfo *) + d=0.2294; e=0.4125; f=0.8816; + g=0.2396; h=0.8539; i= -0.4619; + tx=8.3625; ty= -52.7147; tz=1.3745 }, + { a=0.2765; b= -0.1121; c= -0.9545; (* P_O3'_275_tfo *) + d= -0.8297; e=0.4733; f= -0.2959; + g=0.4850; h=0.8737; i=0.0379; + tx= -14.7774; ty= -45.2464; tz=21.9088 }, + { a=0.1063; b= -0.6334; c= -0.7665; (* P_O3'_180_tfo *) + d= -0.5932; e= -0.6591; f=0.4624; + g= -0.7980; h=0.4055; i= -0.4458; + tx=43.7634; ty=4.3296; tz=28.4890 }, + { a=0.7136; b= -0.5032; c= -0.4873; (* P_O3'_60_tfo *) + d=0.6803; e=0.3317; f=0.6536; + g= -0.1673; h= -0.7979; i=0.5791; + tx= -17.1858; ty=41.4390; tz= -27.0751 }, + { x = 21.3880; y = 15.0780; z = 45.5770 }, (* P *) + { x = 21.9980; y = 14.5500; z = 46.8210 }, (* O1P *) + { x = 21.1450; y = 14.0270; z = 44.5420 }, (* O2P *) + { x = 22.1250; y = 16.3600; z = 44.9460 }, (* O5' *) + { x = 21.5037; y = 16.8594; z = 43.7323 }, (* C5' *) + { x = 20.8147; y = 17.6663; z = 43.9823 }, (* H5' *) + { x = 21.1086; y = 16.0230; z = 43.1557 }, (* H5'' *) + { x = 22.5654; y = 17.4874; z = 42.8616 }, (* C4' *) + { x = 22.1584; y = 17.7243; z = 41.8785 }, (* H4' *) + { x = 23.0557; y = 18.6826; z = 43.4751 }, (* O4' *) + { x = 24.4788; y = 18.6151; z = 43.6455 }, (* C1' *) + { x = 24.9355; y = 19.0840; z = 42.7739 }, (* H1' *) + { x = 24.7958; y = 17.1427; z = 43.6474 }, (* C2' *) + { x = 24.5652; y = 16.7400; z = 44.6336 }, (* H2'' *) + { x = 26.1041; y = 16.8773; z = 43.2455 }, (* O2' *) + { x = 26.7516; y = 17.5328; z = 43.5149 }, (* H2' *) + { x = 23.8109; y = 16.5979; z = 42.6377 }, (* C3' *) + { x = 23.5756; y = 15.5686; z = 42.9084 }, (* H3' *) + { x = 24.2890; y = 16.7447; z = 41.2729 }, (* O3' *) + { x = 24.9420; y = 19.2174; z = 44.8923 }, (* N1 *) + { x = 25.2655; y = 20.5636; z = 44.8883 }, (* N3 *) + { x = 25.1663; y = 21.2219; z = 43.8561 }, (* C2 *) + { x = 25.6911; y = 21.1219; z = 46.0494 }, (* C4 *) + { x = 25.8051; y = 20.4068; z = 47.2048 }, (* C5 *) + { x = 26.2093; y = 20.9962; z = 48.2534 }, (* C6 *) (U ( - ( (25.4692), (19.0221), (47.2053)), (* O2 *) - ( (25.0502), (18.4827), (46.0370)), (* O4 *) - ( (25.9599), (22.1772), (46.0966)), (* H3 *) - ( (25.5545), (18.4409), (48.1234)), (* H5 *) - ( (24.7854), (17.4265), (45.9883))) (* H6 *) + { x = 25.4692; y = 19.0221; z = 47.2053 }, (* O2 *) + { x = 25.0502; y = 18.4827; z = 46.0370 }, (* O4 *) + { x = 25.9599; y = 22.1772; z = 46.0966 }, (* H3 *) + { x = 25.5545; y = 18.4409; z = 48.1234 }, (* H5 *) + { x = 24.7854; y = 17.4265; z = 45.9883 }) (* H6 *) ) ) - let rU08 - = ( - ( (-0.0080), (-0.7928), (0.6094), (* dgf_base_tfo *) - (-0.7512), (0.4071), (0.5197), - (-0.6601), (-0.4536), (-0.5988), - (44.1482), (30.7036), (2.1088)), - ( (0.2765), (-0.1121), (-0.9545), (* P_O3'_275_tfo *) - (-0.8297), (0.4733), (-0.2959), - (0.4850), (0.8737), (0.0379), - (-14.7774), (-45.2464), (21.9088)), - ( (0.1063), (-0.6334), (-0.7665), (* P_O3'_180_tfo *) - (-0.5932), (-0.6591), (0.4624), - (-0.7980), (0.4055), (-0.4458), - (43.7634), (4.3296), (28.4890)), - ( (0.7136), (-0.5032), (-0.4873), (* P_O3'_60_tfo *) - (0.6803), (0.3317), (0.6536), - (-0.1673), (-0.7979), (0.5791), - (-17.1858), (41.4390), (-27.0751)), - ( (21.3880), (15.0780), (45.5770)), (* P *) - ( (21.9980), (14.5500), (46.8210)), (* O1P *) - ( (21.1450), (14.0270), (44.5420)), (* O2P *) - ( (22.1250), (16.3600), (44.9460)), (* O5' *) - ( (23.5096), (16.1227), (44.5783)), (* C5' *) - ( (23.5649), (15.8588), (43.5222)), (* H5' *) - ( (23.9621), (15.4341), (45.2919)), (* H5'' *) - ( (24.2805), (17.4138), (44.7151)), (* C4' *) - ( (25.3492), (17.2309), (44.6030)), (* H4' *) - ( (23.8497), (18.3471), (43.7208)), (* O4' *) - ( (23.4090), (19.5681), (44.3321)), (* C1' *) - ( (24.2595), (20.2496), (44.3524)), (* H1' *) - ( (23.0418), (19.1813), (45.7407)), (* C2' *) - ( (22.0532), (18.7224), (45.7273)), (* H2'' *) - ( (23.1307), (20.2521), (46.6291)), (* O2' *) - ( (22.8888), (21.1051), (46.2611)), (* H2' *) - ( (24.0799), (18.1326), (46.0700)), (* C3' *) - ( (23.6490), (17.4370), (46.7900)), (* H3' *) - ( (25.3329), (18.7227), (46.5109)), (* O3' *) - ( (22.2515), (20.1624), (43.6698)), (* N1 *) - ( (22.4760), (21.0609), (42.6406)), (* N3 *) - ( (23.6229), (21.3462), (42.3061)), (* C2 *) - ( (21.3986), (21.6081), (42.0236)), (* C4 *) - ( (20.1189), (21.3012), (42.3804)), (* C5 *) - ( (19.1599), (21.8516), (41.7578)), (* C6 *) + = N( + { a= -0.0080; b= -0.7928; c=0.6094; (* dgf_base_tfo *) + d= -0.7512; e=0.4071; f=0.5197; + g= -0.6601; h= -0.4536; i= -0.5988; + tx=44.1482; ty=30.7036; tz=2.1088 }, + { a=0.2765; b= -0.1121; c= -0.9545; (* P_O3'_275_tfo *) + d= -0.8297; e=0.4733; f= -0.2959; + g=0.4850; h=0.8737; i=0.0379; + tx= -14.7774; ty= -45.2464; tz=21.9088 }, + { a=0.1063; b= -0.6334; c= -0.7665; (* P_O3'_180_tfo *) + d= -0.5932; e= -0.6591; f=0.4624; + g= -0.7980; h=0.4055; i= -0.4458; + tx=43.7634; ty=4.3296; tz=28.4890 }, + { a=0.7136; b= -0.5032; c= -0.4873; (* P_O3'_60_tfo *) + d=0.6803; e=0.3317; f=0.6536; + g= -0.1673; h= -0.7979; i=0.5791; + tx= -17.1858; ty=41.4390; tz= -27.0751 }, + { x = 21.3880; y = 15.0780; z = 45.5770 }, (* P *) + { x = 21.9980; y = 14.5500; z = 46.8210 }, (* O1P *) + { x = 21.1450; y = 14.0270; z = 44.5420 }, (* O2P *) + { x = 22.1250; y = 16.3600; z = 44.9460 }, (* O5' *) + { x = 23.5096; y = 16.1227; z = 44.5783 }, (* C5' *) + { x = 23.5649; y = 15.8588; z = 43.5222 }, (* H5' *) + { x = 23.9621; y = 15.4341; z = 45.2919 }, (* H5'' *) + { x = 24.2805; y = 17.4138; z = 44.7151 }, (* C4' *) + { x = 25.3492; y = 17.2309; z = 44.6030 }, (* H4' *) + { x = 23.8497; y = 18.3471; z = 43.7208 }, (* O4' *) + { x = 23.4090; y = 19.5681; z = 44.3321 }, (* C1' *) + { x = 24.2595; y = 20.2496; z = 44.3524 }, (* H1' *) + { x = 23.0418; y = 19.1813; z = 45.7407 }, (* C2' *) + { x = 22.0532; y = 18.7224; z = 45.7273 }, (* H2'' *) + { x = 23.1307; y = 20.2521; z = 46.6291 }, (* O2' *) + { x = 22.8888; y = 21.1051; z = 46.2611 }, (* H2' *) + { x = 24.0799; y = 18.1326; z = 46.0700 }, (* C3' *) + { x = 23.6490; y = 17.4370; z = 46.7900 }, (* H3' *) + { x = 25.3329; y = 18.7227; z = 46.5109 }, (* O3' *) + { x = 22.2515; y = 20.1624; z = 43.6698 }, (* N1 *) + { x = 22.4760; y = 21.0609; z = 42.6406 }, (* N3 *) + { x = 23.6229; y = 21.3462; z = 42.3061 }, (* C2 *) + { x = 21.3986; y = 21.6081; z = 42.0236 }, (* C4 *) + { x = 20.1189; y = 21.3012; z = 42.3804 }, (* C5 *) + { x = 19.1599; y = 21.8516; z = 41.7578 }, (* C6 *) (U ( - ( (19.8919), (20.3745), (43.4387)), (* O2 *) - ( (20.9790), (19.8423), (44.0440)), (* O4 *) - ( (21.5235), (22.3222), (41.2097)), (* H3 *) - ( (18.8732), (20.1200), (43.7312)), (* H5 *) - ( (20.8545), (19.1313), (44.8608))) (* H6 *) + { x = 19.8919; y = 20.3745; z = 43.4387 }, (* O2 *) + { x = 20.9790; y = 19.8423; z = 44.0440 }, (* O4 *) + { x = 21.5235; y = 22.3222; z = 41.2097 }, (* H3 *) + { x = 18.8732; y = 20.1200; z = 43.7312 }, (* H5 *) + { x = 20.8545; y = 19.1313; z = 44.8608 }) (* H6 *) ) ) - let rU09 - = ( - ( (-0.0317), (0.1374), (0.9900), (* dgf_base_tfo *) - (-0.3422), (-0.9321), (0.1184), - (0.9391), (-0.3351), (0.0765), - (-32.1929), (25.8198), (-28.5088)), - ( (0.2765), (-0.1121), (-0.9545), (* P_O3'_275_tfo *) - (-0.8297), (0.4733), (-0.2959), - (0.4850), (0.8737), (0.0379), - (-14.7774), (-45.2464), (21.9088)), - ( (0.1063), (-0.6334), (-0.7665), (* P_O3'_180_tfo *) - (-0.5932), (-0.6591), (0.4624), - (-0.7980), (0.4055), (-0.4458), - (43.7634), (4.3296), (28.4890)), - ( (0.7136), (-0.5032), (-0.4873), (* P_O3'_60_tfo *) - (0.6803), (0.3317), (0.6536), - (-0.1673), (-0.7979), (0.5791), - (-17.1858), (41.4390), (-27.0751)), - ( (21.3880), (15.0780), (45.5770)), (* P *) - ( (21.9980), (14.5500), (46.8210)), (* O1P *) - ( (21.1450), (14.0270), (44.5420)), (* O2P *) - ( (22.1250), (16.3600), (44.9460)), (* O5' *) - ( (21.5037), (16.8594), (43.7323)), (* C5' *) - ( (20.8147), (17.6663), (43.9823)), (* H5' *) - ( (21.1086), (16.0230), (43.1557)), (* H5'' *) - ( (22.5654), (17.4874), (42.8616)), (* C4' *) - ( (23.0565), (18.3036), (43.3915)), (* H4' *) - ( (23.5375), (16.5054), (42.4925)), (* O4' *) - ( (23.6574), (16.4257), (41.0649)), (* C1' *) - ( (24.4701), (17.0882), (40.7671)), (* H1' *) - ( (22.3525), (16.9643), (40.5396)), (* C2' *) - ( (21.5993), (16.1799), (40.6133)), (* H2'' *) - ( (22.4693), (17.4849), (39.2515)), (* O2' *) - ( (23.0899), (17.0235), (38.6827)), (* H2' *) - ( (22.0341), (18.0633), (41.5279)), (* C3' *) - ( (20.9509), (18.1709), (41.5846)), (* H3' *) - ( (22.7249), (19.3020), (41.2100)), (* O3' *) - ( (23.8580), (15.0648), (40.5757)), (* N1 *) - ( (25.1556), (14.5982), (40.4523)), (* N3 *) - ( (26.1047), (15.3210), (40.7448)), (* C2 *) - ( (25.3391), (13.3315), (40.0020)), (* C4 *) - ( (24.2974), (12.5148), (39.6749)), (* C5 *) - ( (24.5450), (11.3410), (39.2610)), (* C6 *) + = N( + { a= -0.0317; b=0.1374; c=0.9900; (* dgf_base_tfo *) + d= -0.3422; e= -0.9321; f=0.1184; + g=0.9391; h= -0.3351; i=0.0765; + tx= -32.1929; ty=25.8198; tz= -28.5088 }, + { a=0.2765; b= -0.1121; c= -0.9545; (* P_O3'_275_tfo *) + d= -0.8297; e=0.4733; f= -0.2959; + g=0.4850; h=0.8737; i=0.0379; + tx= -14.7774; ty= -45.2464; tz=21.9088 }, + { a=0.1063; b= -0.6334; c= -0.7665; (* P_O3'_180_tfo *) + d= -0.5932; e= -0.6591; f=0.4624; + g= -0.7980; h=0.4055; i= -0.4458; + tx=43.7634; ty=4.3296; tz=28.4890 }, + { a=0.7136; b= -0.5032; c= -0.4873; (* P_O3'_60_tfo *) + d=0.6803; e=0.3317; f=0.6536; + g= -0.1673; h= -0.7979; i=0.5791; + tx= -17.1858; ty=41.4390; tz= -27.0751 }, + { x = 21.3880; y = 15.0780; z = 45.5770 }, (* P *) + { x = 21.9980; y = 14.5500; z = 46.8210 }, (* O1P *) + { x = 21.1450; y = 14.0270; z = 44.5420 }, (* O2P *) + { x = 22.1250; y = 16.3600; z = 44.9460 }, (* O5' *) + { x = 21.5037; y = 16.8594; z = 43.7323 }, (* C5' *) + { x = 20.8147; y = 17.6663; z = 43.9823 }, (* H5' *) + { x = 21.1086; y = 16.0230; z = 43.1557 }, (* H5'' *) + { x = 22.5654; y = 17.4874; z = 42.8616 }, (* C4' *) + { x = 23.0565; y = 18.3036; z = 43.3915 }, (* H4' *) + { x = 23.5375; y = 16.5054; z = 42.4925 }, (* O4' *) + { x = 23.6574; y = 16.4257; z = 41.0649 }, (* C1' *) + { x = 24.4701; y = 17.0882; z = 40.7671 }, (* H1' *) + { x = 22.3525; y = 16.9643; z = 40.5396 }, (* C2' *) + { x = 21.5993; y = 16.1799; z = 40.6133 }, (* H2'' *) + { x = 22.4693; y = 17.4849; z = 39.2515 }, (* O2' *) + { x = 23.0899; y = 17.0235; z = 38.6827 }, (* H2' *) + { x = 22.0341; y = 18.0633; z = 41.5279 }, (* C3' *) + { x = 20.9509; y = 18.1709; z = 41.5846 }, (* H3' *) + { x = 22.7249; y = 19.3020; z = 41.2100 }, (* O3' *) + { x = 23.8580; y = 15.0648; z = 40.5757 }, (* N1 *) + { x = 25.1556; y = 14.5982; z = 40.4523 }, (* N3 *) + { x = 26.1047; y = 15.3210; z = 40.7448 }, (* C2 *) + { x = 25.3391; y = 13.3315; z = 40.0020 }, (* C4 *) + { x = 24.2974; y = 12.5148; z = 39.6749 }, (* C5 *) + { x = 24.5450; y = 11.3410; z = 39.2610 }, (* C6 *) (U ( - ( (22.9633), (12.9979), (39.8053)), (* O2 *) - ( (22.8009), (14.2648), (40.2524)), (* O4 *) - ( (26.3414), (12.9194), (39.8855)), (* H3 *) - ( (22.1227), (12.3533), (39.5486)), (* H5 *) - ( (21.7989), (14.6788), (40.3650))) (* H6 *) + { x = 22.9633; y = 12.9979; z = 39.8053 }, (* O2 *) + { x = 22.8009; y = 14.2648; z = 40.2524 }, (* O4 *) + { x = 26.3414; y = 12.9194; z = 39.8855 }, (* H3 *) + { x = 22.1227; y = 12.3533; z = 39.5486 }, (* H5 *) + { x = 21.7989; y = 14.6788; z = 40.3650 }) (* H6 *) ) ) - let rU10 - = ( - ( (-0.9674), (0.1021), (-0.2318), (* dgf_base_tfo *) - (-0.2514), (-0.2766), (0.9275), - (0.0306), (0.9555), (0.2933), - (27.8571), (-42.1305), (-24.4563)), - ( (0.2765), (-0.1121), (-0.9545), (* P_O3'_275_tfo *) - (-0.8297), (0.4733), (-0.2959), - (0.4850), (0.8737), (0.0379), - (-14.7774), (-45.2464), (21.9088)), - ( (0.1063), (-0.6334), (-0.7665), (* P_O3'_180_tfo *) - (-0.5932), (-0.6591), (0.4624), - (-0.7980), (0.4055), (-0.4458), - (43.7634), (4.3296), (28.4890)), - ( (0.7136), (-0.5032), (-0.4873), (* P_O3'_60_tfo *) - (0.6803), (0.3317), (0.6536), - (-0.1673), (-0.7979), (0.5791), - (-17.1858), (41.4390), (-27.0751)), - ( (21.3880), (15.0780), (45.5770)), (* P *) - ( (21.9980), (14.5500), (46.8210)), (* O1P *) - ( (21.1450), (14.0270), (44.5420)), (* O2P *) - ( (22.1250), (16.3600), (44.9460)), (* O5' *) - ( (23.5096), (16.1227), (44.5783)), (* C5' *) - ( (23.5649), (15.8588), (43.5222)), (* H5' *) - ( (23.9621), (15.4341), (45.2919)), (* H5'' *) - ( (24.2805), (17.4138), (44.7151)), (* C4' *) - ( (23.8509), (18.1819), (44.0720)), (* H4' *) - ( (24.2506), (17.8583), (46.0741)), (* O4' *) - ( (25.5830), (18.0320), (46.5775)), (* C1' *) - ( (25.8569), (19.0761), (46.4256)), (* H1' *) - ( (26.4410), (17.1555), (45.7033)), (* C2' *) - ( (26.3459), (16.1253), (46.0462)), (* H2'' *) - ( (27.7649), (17.5888), (45.6478)), (* O2' *) - ( (28.1004), (17.9719), (46.4616)), (* H2' *) - ( (25.7796), (17.2997), (44.3513)), (* C3' *) - ( (25.9478), (16.3824), (43.7871)), (* H3' *) - ( (26.2154), (18.4984), (43.6541)), (* O3' *) - ( (25.7321), (17.6281), (47.9726)), (* N1 *) - ( (25.5136), (18.5779), (48.9560)), (* N3 *) - ( (25.2079), (19.7276), (48.6503)), (* C2 *) - ( (25.6482), (18.1987), (50.2518)), (* C4 *) - ( (25.9847), (16.9266), (50.6092)), (* C5 *) - ( (26.0918), (16.6439), (51.8416)), (* C6 *) + = N( + { a= -0.9674; b=0.1021; c= -0.2318; (* dgf_base_tfo *) + d= -0.2514; e= -0.2766; f=0.9275; + g=0.0306; h=0.9555; i=0.2933; + tx=27.8571; ty= -42.1305; tz= -24.4563 }, + { a=0.2765; b= -0.1121; c= -0.9545; (* P_O3'_275_tfo *) + d= -0.8297; e=0.4733; f= -0.2959; + g=0.4850; h=0.8737; i=0.0379; + tx= -14.7774; ty= -45.2464; tz=21.9088 }, + { a=0.1063; b= -0.6334; c= -0.7665; (* P_O3'_180_tfo *) + d= -0.5932; e= -0.6591; f=0.4624; + g= -0.7980; h=0.4055; i= -0.4458; + tx=43.7634; ty=4.3296; tz=28.4890 }, + { a=0.7136; b= -0.5032; c= -0.4873; (* P_O3'_60_tfo *) + d=0.6803; e=0.3317; f=0.6536; + g= -0.1673; h= -0.7979; i=0.5791; + tx= -17.1858; ty=41.4390; tz= -27.0751 }, + { x = 21.3880; y = 15.0780; z = 45.5770 }, (* P *) + { x = 21.9980; y = 14.5500; z = 46.8210 }, (* O1P *) + { x = 21.1450; y = 14.0270; z = 44.5420 }, (* O2P *) + { x = 22.1250; y = 16.3600; z = 44.9460 }, (* O5' *) + { x = 23.5096; y = 16.1227; z = 44.5783 }, (* C5' *) + { x = 23.5649; y = 15.8588; z = 43.5222 }, (* H5' *) + { x = 23.9621; y = 15.4341; z = 45.2919 }, (* H5'' *) + { x = 24.2805; y = 17.4138; z = 44.7151 }, (* C4' *) + { x = 23.8509; y = 18.1819; z = 44.0720 }, (* H4' *) + { x = 24.2506; y = 17.8583; z = 46.0741 }, (* O4' *) + { x = 25.5830; y = 18.0320; z = 46.5775 }, (* C1' *) + { x = 25.8569; y = 19.0761; z = 46.4256 }, (* H1' *) + { x = 26.4410; y = 17.1555; z = 45.7033 }, (* C2' *) + { x = 26.3459; y = 16.1253; z = 46.0462 }, (* H2'' *) + { x = 27.7649; y = 17.5888; z = 45.6478 }, (* O2' *) + { x = 28.1004; y = 17.9719; z = 46.4616 }, (* H2' *) + { x = 25.7796; y = 17.2997; z = 44.3513 }, (* C3' *) + { x = 25.9478; y = 16.3824; z = 43.7871 }, (* H3' *) + { x = 26.2154; y = 18.4984; z = 43.6541 }, (* O3' *) + { x = 25.7321; y = 17.6281; z = 47.9726 }, (* N1 *) + { x = 25.5136; y = 18.5779; z = 48.9560 }, (* N3 *) + { x = 25.2079; y = 19.7276; z = 48.6503 }, (* C2 *) + { x = 25.6482; y = 18.1987; z = 50.2518 }, (* C4 *) + { x = 25.9847; y = 16.9266; z = 50.6092 }, (* C5 *) + { x = 26.0918; y = 16.6439; z = 51.8416 }, (* C6 *) (U ( - ( (26.2067), (15.9515), (49.5943)), (* O2 *) - ( (26.0713), (16.3497), (48.3080)), (* O4 *) - ( (25.4890), (18.9105), (51.0618)), (* H3 *) - ( (26.4742), (14.9310), (49.8682)), (* H5 *) - ( (26.2346), (15.6394), (47.4975))) (* H6 *) + { x = 26.2067; y = 15.9515; z = 49.5943 }, (* O2 *) + { x = 26.0713; y = 16.3497; z = 48.3080 }, (* O4 *) + { x = 25.4890; y = 18.9105; z = 51.0618 }, (* H3 *) + { x = 26.4742; y = 14.9310; z = 49.8682 }, (* H5 *) + { x = 26.2346; y = 15.6394; z = 47.4975 }) (* H6 *) ) ) - let rUs = [rU01;rU02;rU03;rU04;rU05;rU06;rU07;rU08;rU09;rU10] - let rG' - = ( - ( (-0.2067), (-0.0264), (0.9780), (* dgf_base_tfo *) - (0.9770), (-0.0586), (0.2049), - (0.0519), (0.9979), (0.0379), - (1.0331), (-46.8078), (-36.4742)), - ( (-0.8644), (-0.4956), (-0.0851), (* P_O3'_275_tfo *) - (-0.0427), (0.2409), (-0.9696), - (0.5010), (-0.8345), (-0.2294), - (4.0167), (54.5377), (12.4779)), - ( (0.3706), (-0.6167), (0.6945), (* P_O3'_180_tfo *) - (-0.2867), (-0.7872), (-0.5460), - (0.8834), (0.0032), (-0.4686), - (-52.9020), (18.6313), (-0.6709)), - ( (0.4155), (0.9025), (-0.1137), (* P_O3'_60_tfo *) - (0.9040), (-0.4236), (-0.0582), - (-0.1007), (-0.0786), (-0.9918), - (-7.6624), (-25.2080), (49.5181)), - ( (31.3810), (0.1400), (47.5810)), (* P *) - ( (29.9860), (0.6630), (47.6290)), (* O1P *) - ( (31.7210), (-0.6460), (48.8090)), (* O2P *) - ( (32.4940), (1.2540), (47.2740)), (* O5' *) - ( (32.1610), (2.2370), (46.2560)), (* C5' *) - ( (31.2986), (2.8190), (46.5812)), (* H5' *) - ( (32.0980), (1.7468), (45.2845)), (* H5'' *) - ( (33.3476), (3.1959), (46.1947)), (* C4' *) - ( (33.2668), (3.8958), (45.3630)), (* H4' *) - ( (33.3799), (3.9183), (47.4216)), (* O4' *) - ( (34.6515), (3.7222), (48.0398)), (* C1' *) - ( (35.2947), (4.5412), (47.7180)), (* H1' *) - ( (35.1756), (2.4228), (47.4827)), (* C2' *) - ( (34.6778), (1.5937), (47.9856)), (* H2'' *) - ( (36.5631), (2.2672), (47.4798)), (* O2' *) - ( (37.0163), (2.6579), (48.2305)), (* H2' *) - ( (34.6953), (2.5043), (46.0448)), (* C3' *) - ( (34.5444), (1.4917), (45.6706)), (* H3' *) - ( (35.6679), (3.3009), (45.3487)), (* O3' *) - ( (37.4804), (4.0914), (52.2559)), (* N1 *) - ( (36.9670), (4.1312), (49.9281)), (* N3 *) - ( (37.8045), (4.2519), (50.9550)), (* C2 *) - ( (35.7171), (3.8264), (50.3222)), (* C4 *) - ( (35.2668), (3.6420), (51.6115)), (* C5 *) - ( (36.2037), (3.7829), (52.6706)), (* C6 *) + = N( + { a= -0.2067; b= -0.0264; c=0.9780; (* dgf_base_tfo *) + d=0.9770; e= -0.0586; f=0.2049; + g=0.0519; h=0.9979; i=0.0379; + tx=1.0331; ty= -46.8078; tz= -36.4742 }, + { a= -0.8644; b= -0.4956; c= -0.0851; (* P_O3'_275_tfo *) + d= -0.0427; e=0.2409; f= -0.9696; + g=0.5010; h= -0.8345; i= -0.2294; + tx=4.0167; ty=54.5377; tz=12.4779 }, + { a=0.3706; b= -0.6167; c=0.6945; (* P_O3'_180_tfo *) + d= -0.2867; e= -0.7872; f= -0.5460; + g=0.8834; h=0.0032; i= -0.4686; + tx= -52.9020; ty=18.6313; tz= -0.6709 }, + { a=0.4155; b=0.9025; c= -0.1137; (* P_O3'_60_tfo *) + d=0.9040; e= -0.4236; f= -0.0582; + g= -0.1007; h= -0.0786; i= -0.9918; + tx= -7.6624; ty= -25.2080; tz=49.5181 }, + { x = 31.3810; y = 0.1400; z = 47.5810 }, (* P *) + { x = 29.9860; y = 0.6630; z = 47.6290 }, (* O1P *) + { x = 31.7210; y = -0.6460; z = 48.8090 }, (* O2P *) + { x = 32.4940; y = 1.2540; z = 47.2740 }, (* O5' *) + { x = 32.1610; y = 2.2370; z = 46.2560 }, (* C5' *) + { x = 31.2986; y = 2.8190; z = 46.5812 }, (* H5' *) + { x = 32.0980; y = 1.7468; z = 45.2845 }, (* H5'' *) + { x = 33.3476; y = 3.1959; z = 46.1947 }, (* C4' *) + { x = 33.2668; y = 3.8958; z = 45.3630 }, (* H4' *) + { x = 33.3799; y = 3.9183; z = 47.4216 }, (* O4' *) + { x = 34.6515; y = 3.7222; z = 48.0398 }, (* C1' *) + { x = 35.2947; y = 4.5412; z = 47.7180 }, (* H1' *) + { x = 35.1756; y = 2.4228; z = 47.4827 }, (* C2' *) + { x = 34.6778; y = 1.5937; z = 47.9856 }, (* H2'' *) + { x = 36.5631; y = 2.2672; z = 47.4798 }, (* O2' *) + { x = 37.0163; y = 2.6579; z = 48.2305 }, (* H2' *) + { x = 34.6953; y = 2.5043; z = 46.0448 }, (* C3' *) + { x = 34.5444; y = 1.4917; z = 45.6706 }, (* H3' *) + { x = 35.6679; y = 3.3009; z = 45.3487 }, (* O3' *) + { x = 37.4804; y = 4.0914; z = 52.2559 }, (* N1 *) + { x = 36.9670; y = 4.1312; z = 49.9281 }, (* N3 *) + { x = 37.8045; y = 4.2519; z = 50.9550 }, (* C2 *) + { x = 35.7171; y = 3.8264; z = 50.3222 }, (* C4 *) + { x = 35.2668; y = 3.6420; z = 51.6115 }, (* C5 *) + { x = 36.2037; y = 3.7829; z = 52.6706 }, (* C6 *) (G ( - ( (39.0869), (4.5552), (50.7092)), (* N2 *) - ( (33.9075), (3.3338), (51.6102)), (* N7 *) - ( (34.6126), (3.6358), (49.5108)), (* N9 *) - ( (33.5805), (3.3442), (50.3425)), (* C8 *) - ( (35.9958), (3.6512), (53.8724)), (* O6 *) - ( (38.2106), (4.2053), (52.9295)), (* H1 *) - ( (39.8218), (4.6863), (51.3896)), (* H21 *) - ( (39.3420), (4.6857), (49.7407)), (* H22 *) - ( (32.5194), (3.1070), (50.2664))) (* H8 *) + { x = 39.0869; y = 4.5552; z = 50.7092 }, (* N2 *) + { x = 33.9075; y = 3.3338; z = 51.6102 }, (* N7 *) + { x = 34.6126; y = 3.6358; z = 49.5108 }, (* N9 *) + { x = 33.5805; y = 3.3442; z = 50.3425 }, (* C8 *) + { x = 35.9958; y = 3.6512; z = 53.8724 }, (* O6 *) + { x = 38.2106; y = 4.2053; z = 52.9295 }, (* H1 *) + { x = 39.8218; y = 4.6863; z = 51.3896 }, (* H21 *) + { x = 39.3420; y = 4.6857; z = 49.7407 }, (* H22 *) + { x = 32.5194; y = 3.1070; z = 50.2664 }) (* H8 *) ) ) - let rU' - = ( - ( (-0.0109), (0.5907), (0.8068), (* dgf_base_tfo *) - (0.2217), (-0.7853), (0.5780), - (0.9751), (0.1852), (-0.1224), - (-1.4225), (-11.0956), (-2.5217)), - ( (-0.8313), (-0.4738), (-0.2906), (* P_O3'_275_tfo *) - (0.0649), (0.4366), (-0.8973), - (0.5521), (-0.7648), (-0.3322), - (1.6833), (6.8060), (-7.0011)), - ( (0.3445), (-0.7630), (0.5470), (* P_O3'_180_tfo *) - (-0.4628), (-0.6450), (-0.6082), - (0.8168), (-0.0436), (-0.5753), - (-6.8179), (-3.9778), (-5.9887)), - ( (0.5855), (0.7931), (-0.1682), (* P_O3'_60_tfo *) - (0.8103), (-0.5790), (0.0906), - (-0.0255), (-0.1894), (-0.9816), - (6.1203), (-7.1051), (3.1984)), - ( (2.6760), (-8.4960), (3.2880)), (* P *) - ( (1.4950), (-7.6230), (3.4770)), (* O1P *) - ( (2.9490), (-9.4640), (4.3740)), (* O2P *) - ( (3.9730), (-7.5950), (3.0340)), (* O5' *) - ( (5.2430), (-8.2420), (2.8260)), (* C5' *) - ( (5.1974), (-8.8497), (1.9223)), (* H5' *) - ( (5.5548), (-8.7348), (3.7469)), (* H5'' *) - ( (6.3140), (-7.2060), (2.5510)), (* C4' *) - ( (5.8744), (-6.2116), (2.4731)), (* H4' *) - ( (7.2798), (-7.2260), (3.6420)), (* O4' *) - ( (8.5733), (-6.9410), (3.1329)), (* C1' *) - ( (8.9047), (-6.0374), (3.6446)), (* H1' *) - ( (8.4429), (-6.6596), (1.6327)), (* C2' *) - ( (9.2880), (-7.1071), (1.1096)), (* H2'' *) - ( (8.2502), (-5.2799), (1.4754)), (* O2' *) - ( (8.7676), (-4.7284), (2.0667)), (* H2' *) - ( (7.1642), (-7.4416), (1.3021)), (* C3' *) - ( (7.4125), (-8.5002), (1.2260)), (* H3' *) - ( (6.5160), (-6.9772), (0.1267)), (* O3' *) - ( (9.4531), (-8.1107), (3.4087)), (* N1 *) - ( (11.5931), (-9.0015), (3.6357)), (* N3 *) - ( (10.8101), (-7.8950), (3.3748)), (* C2 *) - ( (11.1439), (-10.2744), (3.9206)), (* C4 *) - ( (9.7056), (-10.4026), (3.9332)), (* C5 *) - ( (8.9192), (-9.3419), (3.6833)), (* C6 *) + = N( + { a= -0.0109; b=0.5907; c=0.8068; (* dgf_base_tfo *) + d=0.2217; e= -0.7853; f=0.5780; + g=0.9751; h=0.1852; i= -0.1224; + tx= -1.4225; ty= -11.0956; tz= -2.5217 }, + { 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 = 5.8744; y = -6.2116; z = 2.4731 }, (* H4' *) + { x = 7.2798; y = -7.2260; z = 3.6420 }, (* O4' *) + { x = 8.5733; y = -6.9410; z = 3.1329 }, (* C1' *) + { x = 8.9047; y = -6.0374; z = 3.6446 }, (* H1' *) + { x = 8.4429; y = -6.6596; z = 1.6327 }, (* C2' *) + { x = 9.2880; y = -7.1071; z = 1.1096 }, (* H2'' *) + { x = 8.2502; y = -5.2799; z = 1.4754 }, (* O2' *) + { x = 8.7676; y = -4.7284; z = 2.0667 }, (* H2' *) + { x = 7.1642; y = -7.4416; z = 1.3021 }, (* C3' *) + { x = 7.4125; y = -8.5002; z = 1.2260 }, (* H3' *) + { x = 6.5160; y = -6.9772; z = 0.1267 }, (* O3' *) + { x = 9.4531; y = -8.1107; z = 3.4087 }, (* N1 *) + { x = 11.5931; y = -9.0015; z = 3.6357 }, (* N3 *) + { x = 10.8101; y = -7.8950; z = 3.3748 }, (* C2 *) + { x = 11.1439; y = -10.2744; z = 3.9206 }, (* C4 *) + { x = 9.7056; y = -10.4026; z = 3.9332 }, (* C5 *) + { x = 8.9192; y = -9.3419; z = 3.6833 }, (* C6 *) (U ( - ( (11.3013), (-6.8063), (3.1326)), (* O2 *) - ( (11.9431), (-11.1876), (4.1375)), (* O4 *) - ( (12.5840), (-8.8673), (3.6158)), (* H3 *) - ( (9.2891), (-11.2898), (4.1313)), (* H5 *) - ( (7.9263), (-9.4537), (3.6977))) (* H6 *) + { x = 11.3013; y = -6.8063; z = 3.1326 }, (* O2 *) + { x = 11.9431; y = -11.1876; z = 4.1375 }, (* O4 *) + { x = 12.5840; y = -8.8673; z = 3.6158 }, (* H3 *) + { x = 9.2891; y = -11.2898; z = 4.1313 }, (* H5 *) + { x = 7.9263; y = -9.4537; z = 3.6977 }) (* H6 *) ) ) - (* -- PARTIAL INSTANTIATIONS ------------------------------------------------*) -type var = int*tfo*nuc +type variable = + { id : int; + t : tfo; + n : nuc } -let mk_var i t n = (i,t,n : var) +let mk_var i t n = { id = i; t = t; n = n } -let absolute_pos (i,t,n: var) p = tfo_apply t p +let absolute_pos v p = tfo_apply v.t p -let atom_pos atom (i,t,n: var) = absolute_pos (i,t,n) (atom n) +let atom_pos atom v = absolute_pos v (atom v.n) -let rec get_var id ((i,t,n : var)::lst) = - if id = i then (i,t,n) else get_var id lst +let rec get_var id (v::lst) = + if id = v.id then v else get_var id lst (* -- SEARCH ----------------------------------------------------------------*) (* Sequential backtracking algorithm *) -let rec search partial_inst l constraint = +let rec search (partial_inst : variable list) l constraint = match l with [] -> [partial_inst] | (h::t) -> @@ -2951,7 +2855,6 @@ let rec search partial_inst l constraint = try_assignments (h partial_inst) - (* -- DOMAINS ---------------------------------------------------------------*) (* Primary structure: strand A CUGCCACGUCUG, strand B CAGACGUGGCAG @@ -2998,16 +2901,15 @@ let rec search partial_inst l constraint = let dgf_base tfo v nucl - = let (i,t,n) = v in - let x = if is_A n then + = let x = if is_A v.n then tfo_align (atom_pos nuc_C1' v) (atom_pos rA_N9 v) (atom_pos nuc_C4 v) - else if is_C n then + else if is_C v.n then tfo_align (atom_pos nuc_C1' v) (atom_pos nuc_N1 v) (atom_pos nuc_C2 v) - else if is_G n then + else if is_G v.n then tfo_align (atom_pos nuc_C1' v) (atom_pos rG_N9 v) (atom_pos nuc_C4 v) @@ -3019,13 +2921,11 @@ dgf_base tfo v nucl tfo_combine (nuc_dgf_base_tfo nucl) (tfo_combine tfo (tfo_inv_ortho x)) - (* Placement of first nucleotide. *) let reference n i partial_inst = [ mk_var i tfo_id n ] - (* The transformation matrix for wc is from: Chandrasekaran R. et al (1989) A Re-Examination of the Crystal @@ -3035,98 +2935,84 @@ reference n i partial_inst = [ mk_var i tfo_id n ] let wc_tfo = ( - (-1.0000), (0.0028), (-0.0019), - (0.0028), (0.3468), (-0.9379), - (-0.0019), (-0.9379), (-0.3468), - (-0.0080), (6.0730), (8.7208) + { a= -1.0000; b=0.0028; c= -0.0019; + d=0.0028; e=0.3468; f= -0.9379; + g= -0.0019; h= -0.9379; i= -0.3468; + tx= -0.0080; ty=6.0730; tz=8.7208 } ) - let wc nucl i j partial_inst = [ mk_var i (dgf_base wc_tfo (get_var j partial_inst) nucl) nucl ] - let wc_dumas_tfo = ( - (-0.9737), (-0.1834), (0.1352), - (-0.1779), (0.2417), (-0.9539), - (0.1422), (-0.9529), (-0.2679), - (0.4837), (6.2649), (8.0285) + { a= -0.9737; b= -0.1834; c=0.1352; + d= -0.1779; e=0.2417; f= -0.9539; + g=0.1422; h= -0.9529; i= -0.2679; + tx=0.4837; ty=6.2649; tz=8.0285 } ) - let wc_dumas nucl i j partial_inst = [ mk_var i (dgf_base wc_dumas_tfo (get_var j partial_inst) nucl) nucl ] - let helix5'_tfo = ( - (0.9886), (-0.0961), (0.1156), - (0.1424), (0.8452), (-0.5152), - (-0.0482), (0.5258), (0.8492), - (-3.8737), (0.5480), (3.8024) + { a=0.9886; b= -0.0961; c=0.1156; + d=0.1424; e=0.8452; f= -0.5152; + g= -0.0482; h=0.5258; i=0.8492; + tx= -3.8737; ty=0.5480; tz=3.8024 } ) - let helix5' nucl i j partial_inst = [ mk_var i (dgf_base helix5'_tfo (get_var j partial_inst) nucl) nucl ] - let helix3'_tfo = ( - (0.9886), (0.1424), (-0.0482), - (-0.0961), (0.8452), (0.5258), - (0.1156), (-0.5152), (0.8492), - (3.4426), (2.0474), (-3.7042) + { a=0.9886; b=0.1424; c= -0.0482; + d= -0.0961; e=0.8452; f=0.5258; + g=0.1156; h= -0.5152; i=0.8492; + tx=3.4426; ty=2.0474; tz= -3.7042 } ) - let helix3' nucl i j partial_inst = [ mk_var i (dgf_base helix3'_tfo (get_var j partial_inst) nucl) nucl ] - let g37_a38_tfo = ( - (0.9991), (0.0164), (-0.0387), - (-0.0375), (0.7616), (-0.6470), - (0.0189), (0.6478), (0.7615), - (-3.3018), (0.9975), (2.5585) + { a=0.9991; b=0.0164; c= -0.0387; + d= -0.0375; e=0.7616; f= -0.6470; + g=0.0189; h=0.6478; i=0.7615; + tx= -3.3018; ty=0.9975; tz=2.5585 } ) - let g37_a38 nucl i j partial_inst = mk_var i (dgf_base g37_a38_tfo (get_var j partial_inst) nucl) nucl - let stacked5' nucl i j partial_inst = (g37_a38 nucl i j partial_inst) :: (helix5' nucl i j partial_inst) - let a38_g37_tfo = ( - (0.9991), (-0.0375), (0.0189), - (0.0164), (0.7616), (0.6478), - (-0.0387), (-0.6470), (0.7615), - (3.3819), (0.7718), (-2.5321) + { a=0.9991; b= -0.0375; c=0.0189; + d=0.0164; e=0.7616; f=0.6478; + g= -0.0387; h= -0.6470; i=0.7615; + tx=3.3819; ty=0.7718; tz= -2.5321 } ) - let a38_g37 nucl i j partial_inst = mk_var i (dgf_base a38_g37_tfo (get_var j partial_inst) nucl) nucl - let stacked3' nucl i j partial_inst = (a38_g37 nucl i j partial_inst) :: (helix3' nucl i j partial_inst) - let p_o3' nucls i j partial_inst = let refnuc = get_var j partial_inst in @@ -3145,7 +3031,6 @@ p_o3' nucls i j partial_inst in generate [] nucls - (* -- PROBLEM STATEMENT -----------------------------------------------------*) (* Define anticodon problem -- Science 253:1255 Figure 3a, 3b and 3c *) @@ -3172,25 +3057,22 @@ anticodon_domains p_o3' rUs 33 32 (* <-' 3.0 Angstroms *) ] - (* Anticodon constraint *) let -anticodon_constraint (i,t,n as v) partial_inst = +anticodon_constraint v partial_inst = let rec dist j = let p = atom_pos nuc_P (get_var j partial_inst) in let o3' = atom_pos nuc_O3' v in pt_dist p o3' in - if i = 33 then + if v.id = 33 then (dist 34) <= 3.0 else true - let anticodon () = search [] anticodon_domains anticodon_constraint - (* Define pseudoknot problem -- Science 253:1255 Figure 4a and 4b *) let @@ -3226,98 +3108,89 @@ pseudoknot_domains stacked5' rU 5 4; (* | 4.5 Angstroms *) stacked5' rC 6 5 (* <-' *) ] - (* Pseudoknot constraint *) let -pseudoknot_constraint (i,t,n as v) partial_inst = +pseudoknot_constraint v partial_inst = let rec dist j = let p = atom_pos nuc_P (get_var j partial_inst) in let o3' = atom_pos nuc_O3' v in pt_dist p o3' in - if i = 18 then + if v.id = 18 then (dist 19) <= 4.0 - else if i = 6 then + else if v.id = 6 then (dist 7) <= 4.5 else true - let pseudoknot () = search [] pseudoknot_domains pseudoknot_constraint - (* -- TESTING ---------------------------------------------------------------*) let list_of_atoms = function - ((dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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, A (n6,n7,n9,c8,h2,h61,h62,h8))) -> [|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;n6;n7;n9;c8;h2;h61;h62;h8|] -| ((dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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, C (n4,o2,h41,h42,h5,h6))) -> [|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;n4;o2;h41;h42;h5;h6|] -| ((dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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, G (n2,n7,n9,c8,o6,h1,h21,h22,h8))) -> [|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;n2;n7;n9;c8;o6;h1;h21;h22;h8|] -| ((dgf_base_tfo,p_o3'_275_tfo,p_o3'_180_tfo,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, U (o2,o4,h3,h5,h6))) -> [|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;o2;o4;h3;h5;h6|] - let maximum (x::xs) = - let rec loop (m:float) = function + let rec iter m = function [] -> m - | (a::b) -> loop (if a > m then a else m) b + | (a::b) -> iter (if a > m then a else m) b in - loop x xs - + iter x xs let -var_most_distant_atom ((i,t,n) as v) = - let atoms = list_of_atoms n in +var_most_distant_atom v = + let atoms = list_of_atoms v.n in let max_dist = ref 0.0 in for i = 0 to pred (Array.length atoms) do let p = atoms.(i) in - let distance = let (x,y,z) = absolute_pos v p - in sqrt ((x * x) + (y * y) + (z * z)) in + let distance = + let pos = absolute_pos v p + in sqrt ((pos.x * pos.x) + (pos.y * pos.y) + (pos.z * pos.z)) in if distance > !max_dist then max_dist := distance done; !max_dist - let sol_most_distant_atom s = maximum (List.map var_most_distant_atom s) - let most_distant_atom sols = maximum (List.map sol_most_distant_atom sols) - let check () = List.length (pseudoknot ()) - let run () = most_distant_atom (pseudoknot ()) +let main () = Printf.printf "%.4f" (run ()); print_newline() -let main () = (Printf.printf "%.5f" (run ()); print_newline()) - -let _ = main (); exit 0 +let _ = main () |