1;;; NUCLEIC -- 3D structure determination of a nucleic acid. 2 3; Author: Marc Feeley (feeley@iro.umontreal.ca) 4; 5; Last modified: January 27, 1996 6; 7; This program is a modified version of the program described in the paper: 8; 9; M. Feeley, M. Turcotte, G. Lapalme, "Using Multilisp for Solving 10; Constraint Satisfaction Problems: an Application to Nucleic Acid 3D 11; Structure Determination" published in the journal "Lisp and Symbolic 12; Computation". 13; 14; The differences between this program and the original are described in 15; the paper: 16; 17; "???" published in the "Journal of Functional Programming". 18 19(define fatal-error error) 20 21; Macros... 22 23; Flonum arithmetic. 24 25(define-syntax FLOATvector-const 26 (syntax-rules () 27 ((FLOATvector-const x ...) '#(x ...)))) 28 29(define-syntax FLOATvector? 30 (syntax-rules () 31 ((FLOATvector? x) (vector? x)))) 32 33(define-syntax FLOATvector 34 (syntax-rules () 35 ((FLOATvector x ...) (vector x ...)))) 36 37(define-syntax FLOATmake-vector 38 (syntax-rules () 39 ((FLOATmake-vector n) (make-vector n 0.0)) 40 ((FLOATmake-vector n init) (make-vector n init)))) 41 42(define-syntax FLOATvector-ref 43 (syntax-rules () 44 ((FLOATvector-ref v i) (vector-ref v i)))) 45 46(define-syntax FLOATvector-set! 47 (syntax-rules () 48 ((FLOATvector-set! v i x) (vector-set! v i x)))) 49 50(define-syntax FLOATvector-length 51 (syntax-rules () 52 ((FLOATvector-length v) (vector-length v)))) 53 54(define-syntax nuc-const 55 (syntax-rules () 56 ((FLOATnuc-const x ...) '#(x ...)))) 57 58(define-syntax FLOAT+ 59 (syntax-rules () 60 ((FLOAT+) 0.0) 61 ((FLOAT+ x) x) 62 ((FLOAT+ x y ...) (+ x (FLOAT+ y ...))))) 63 64(define-syntax FLOAT- 65 (syntax-rules () 66 ((FLOAT- x) (- x)) 67 ((FLOAT- x y ...) (- x (FLOAT+ y ...))))) 68 69(define-syntax FLOAT* 70 (syntax-rules () 71 ((FLOAT*) 1.0) 72 ((FLOAT* x) x) 73 ((FLOAT* x y ...) (* x (FLOAT* y ...))))) 74 75(define-syntax FLOAT/ 76 (syntax-rules () 77 ((FLOAT/ x) (/ x)) 78 ((FLOAT/ x y ...) (/ x (FLOAT* y ...))))) 79 80(define-syntax FLOAT= 81 (syntax-rules () 82 ((FLOAT= x y) (= x y)))) 83 84(define-syntax FLOAT< 85 (syntax-rules () 86 ((FLOAT< x y) (< x y)))) 87 88(define-syntax FLOAT<= 89 (syntax-rules () 90 ((FLOAT<= x y) (<= x y)))) 91 92(define-syntax FLOAT> 93 (syntax-rules () 94 ((FLOAT> x y) (> x y)))) 95 96(define-syntax FLOAT>= 97 (syntax-rules () 98 ((FLOAT>= x y) (>= x y)))) 99 100(define-syntax FLOATnegative? 101 (syntax-rules () 102 ((FLOATnegative? x) (< x 0.0)))) 103 104(define-syntax FLOATpositive? 105 (syntax-rules () 106 ((FLOATpositive? x) (> x 0.0)))) 107 108(define-syntax FLOATzero? 109 (syntax-rules () 110 ((FLOATzero? x) (= x 0.0)))) 111 112(define-syntax FLOATabs 113 (syntax-rules () 114 ((FLOATabs x) (abs x)))) 115 116(define-syntax FLOATsin 117 (syntax-rules () 118 ((FLOATsin x) (sin x)))) 119 120(define-syntax FLOATcos 121 (syntax-rules () 122 ((FLOATcos x) (cos x)))) 123 124(define-syntax FLOATatan 125 (syntax-rules () 126 ((FLOATatan x) (atan x)))) 127 128(define-syntax FLOATsqrt 129 (syntax-rules () 130 ((FLOATsqrt x) (sqrt x)))) 131 132(define-syntax FLOATmin 133 (syntax-rules () 134 ((FLOATmin x y) (min x y)))) 135 136(define-syntax FLOATmax 137 (syntax-rules () 138 ((FLOATmax x y) (max x y)))) 139 140(define-syntax FLOATround 141 (syntax-rules () 142 ((FLOATround x) (round x)))) 143 144(define-syntax FLOATinexact->exact 145 (syntax-rules () 146 ((FLOATinexact->exact x) (inexact->exact x)))) 147 148; Fixnum arithmetic everywhere else. 149; More fixnum macros can be found in prefix-chez.scm. 150 151(define-syntax bitwise-or 152 (syntax-rules () 153 ((bitwise-or x y) (logior x y)))) 154 155(define-syntax bitwise-and 156 (syntax-rules () 157 ((bitwise-and x y) (logand x y)))) 158 159(define-syntax bitwise-not 160 (syntax-rules () 161 ((bitwise-not x) (lognot x)))) 162 163 164; -- MATH UTILITIES ----------------------------------------------------------- 165 166(define constant-pi 3.14159265358979323846) 167(define constant-minus-pi -3.14159265358979323846) 168(define constant-pi/2 1.57079632679489661923) 169(define constant-minus-pi/2 -1.57079632679489661923) 170 171(define (math-atan2 y x) 172 (cond ((FLOAT> x 0.0) 173 (FLOATatan (FLOAT/ y x))) 174 ((FLOAT< y 0.0) 175 (if (FLOAT= x 0.0) 176 constant-minus-pi/2 177 (FLOAT+ (FLOATatan (FLOAT/ y x)) constant-minus-pi))) 178 (else 179 (if (FLOAT= x 0.0) 180 constant-pi/2 181 (FLOAT+ (FLOATatan (FLOAT/ y x)) constant-pi))))) 182 183; -- POINTS ------------------------------------------------------------------- 184 185(define (make-pt x y z) 186 (FLOATvector x y z)) 187 188(define (pt-x pt) (FLOATvector-ref pt 0)) 189(define (pt-x-set! pt val) (FLOATvector-set! pt 0 val)) 190(define (pt-y pt) (FLOATvector-ref pt 1)) 191(define (pt-y-set! pt val) (FLOATvector-set! pt 1 val)) 192(define (pt-z pt) (FLOATvector-ref pt 2)) 193(define (pt-z-set! pt val) (FLOATvector-set! pt 2 val)) 194 195(define (pt-sub p1 p2) 196 (make-pt (FLOAT- (pt-x p1) (pt-x p2)) 197 (FLOAT- (pt-y p1) (pt-y p2)) 198 (FLOAT- (pt-z p1) (pt-z p2)))) 199 200(define (pt-dist p1 p2) 201 (let ((dx (FLOAT- (pt-x p1) (pt-x p2))) 202 (dy (FLOAT- (pt-y p1) (pt-y p2))) 203 (dz (FLOAT- (pt-z p1) (pt-z p2)))) 204 (FLOATsqrt (FLOAT+ (FLOAT* dx dx) (FLOAT* dy dy) (FLOAT* dz dz))))) 205 206(define (pt-phi p) 207 (let* ((x (pt-x p)) 208 (y (pt-y p)) 209 (z (pt-z p)) 210 (b (math-atan2 x z))) 211 (math-atan2 (FLOAT+ (FLOAT* (FLOATcos b) z) (FLOAT* (FLOATsin b) x)) y))) 212 213(define (pt-theta p) 214 (math-atan2 (pt-x p) (pt-z p))) 215 216; -- COORDINATE TRANSFORMATIONS ----------------------------------------------- 217 218; The notation for the transformations follows "Paul, R.P. (1981) Robot 219; Manipulators. MIT Press." with the exception that our transformation 220; matrices don't have the perspective terms and are the transpose of 221; Paul's one. See also "M\"antyl\"a, M. (1985) An Introduction to 222; Solid Modeling, Computer Science Press" Appendix A. 223; 224; The components of a transformation matrix are named like this: 225; 226; a b c 227; d e f 228; g h i 229; tx ty tz 230; 231; The components tx, ty, and tz are the translation vector. 232 233(define (make-tfo a b c d e f g h i tx ty tz) 234 (FLOATvector a b c d e f g h i tx ty tz)) 235 236(define (tfo-a tfo) (FLOATvector-ref tfo 0)) 237(define (tfo-a-set! tfo val) (FLOATvector-set! tfo 0 val)) 238(define (tfo-b tfo) (FLOATvector-ref tfo 1)) 239(define (tfo-b-set! tfo val) (FLOATvector-set! tfo 1 val)) 240(define (tfo-c tfo) (FLOATvector-ref tfo 2)) 241(define (tfo-c-set! tfo val) (FLOATvector-set! tfo 2 val)) 242(define (tfo-d tfo) (FLOATvector-ref tfo 3)) 243(define (tfo-d-set! tfo val) (FLOATvector-set! tfo 3 val)) 244(define (tfo-e tfo) (FLOATvector-ref tfo 4)) 245(define (tfo-e-set! tfo val) (FLOATvector-set! tfo 4 val)) 246(define (tfo-f tfo) (FLOATvector-ref tfo 5)) 247(define (tfo-f-set! tfo val) (FLOATvector-set! tfo 5 val)) 248(define (tfo-g tfo) (FLOATvector-ref tfo 6)) 249(define (tfo-g-set! tfo val) (FLOATvector-set! tfo 6 val)) 250(define (tfo-h tfo) (FLOATvector-ref tfo 7)) 251(define (tfo-h-set! tfo val) (FLOATvector-set! tfo 7 val)) 252(define (tfo-i tfo) (FLOATvector-ref tfo 8)) 253(define (tfo-i-set! tfo val) (FLOATvector-set! tfo 8 val)) 254(define (tfo-tx tfo) (FLOATvector-ref tfo 9)) 255(define (tfo-tx-set! tfo val) (FLOATvector-set! tfo 9 val)) 256(define (tfo-ty tfo) (FLOATvector-ref tfo 10)) 257(define (tfo-ty-set! tfo val) (FLOATvector-set! tfo 10 val)) 258(define (tfo-tz tfo) (FLOATvector-ref tfo 11)) 259(define (tfo-tz-set! tfo val) (FLOATvector-set! tfo 11 val)) 260 261(define tfo-id ; the identity transformation matrix 262 (FLOATvector-const 263 1.0 0.0 0.0 264 0.0 1.0 0.0 265 0.0 0.0 1.0 266 0.0 0.0 0.0)) 267 268; The function "tfo-apply" multiplies a transformation matrix, tfo, by a 269; point vector, p. The result is a new point. 270 271(define (tfo-apply tfo p) 272 (let ((x (pt-x p)) 273 (y (pt-y p)) 274 (z (pt-z p))) 275 (make-pt 276 (FLOAT+ (FLOAT* x (tfo-a tfo)) 277 (FLOAT* y (tfo-d tfo)) 278 (FLOAT* z (tfo-g tfo)) 279 (tfo-tx tfo)) 280 (FLOAT+ (FLOAT* x (tfo-b tfo)) 281 (FLOAT* y (tfo-e tfo)) 282 (FLOAT* z (tfo-h tfo)) 283 (tfo-ty tfo)) 284 (FLOAT+ (FLOAT* x (tfo-c tfo)) 285 (FLOAT* y (tfo-f tfo)) 286 (FLOAT* z (tfo-i tfo)) 287 (tfo-tz tfo))))) 288 289; The function "tfo-combine" multiplies two transformation matrices A and B. 290; The result is a new matrix which cumulates the transformations described 291; by A and B. 292 293(define (tfo-combine A B) 294 (make-tfo 295 (FLOAT+ (FLOAT* (tfo-a A) (tfo-a B)) 296 (FLOAT* (tfo-b A) (tfo-d B)) 297 (FLOAT* (tfo-c A) (tfo-g B))) 298 (FLOAT+ (FLOAT* (tfo-a A) (tfo-b B)) 299 (FLOAT* (tfo-b A) (tfo-e B)) 300 (FLOAT* (tfo-c A) (tfo-h B))) 301 (FLOAT+ (FLOAT* (tfo-a A) (tfo-c B)) 302 (FLOAT* (tfo-b A) (tfo-f B)) 303 (FLOAT* (tfo-c A) (tfo-i B))) 304 (FLOAT+ (FLOAT* (tfo-d A) (tfo-a B)) 305 (FLOAT* (tfo-e A) (tfo-d B)) 306 (FLOAT* (tfo-f A) (tfo-g B))) 307 (FLOAT+ (FLOAT* (tfo-d A) (tfo-b B)) 308 (FLOAT* (tfo-e A) (tfo-e B)) 309 (FLOAT* (tfo-f A) (tfo-h B))) 310 (FLOAT+ (FLOAT* (tfo-d A) (tfo-c B)) 311 (FLOAT* (tfo-e A) (tfo-f B)) 312 (FLOAT* (tfo-f A) (tfo-i B))) 313 (FLOAT+ (FLOAT* (tfo-g A) (tfo-a B)) 314 (FLOAT* (tfo-h A) (tfo-d B)) 315 (FLOAT* (tfo-i A) (tfo-g B))) 316 (FLOAT+ (FLOAT* (tfo-g A) (tfo-b B)) 317 (FLOAT* (tfo-h A) (tfo-e B)) 318 (FLOAT* (tfo-i A) (tfo-h B))) 319 (FLOAT+ (FLOAT* (tfo-g A) (tfo-c B)) 320 (FLOAT* (tfo-h A) (tfo-f B)) 321 (FLOAT* (tfo-i A) (tfo-i B))) 322 (FLOAT+ (FLOAT* (tfo-tx A) (tfo-a B)) 323 (FLOAT* (tfo-ty A) (tfo-d B)) 324 (FLOAT* (tfo-tz A) (tfo-g B)) 325 (tfo-tx B)) 326 (FLOAT+ (FLOAT* (tfo-tx A) (tfo-b B)) 327 (FLOAT* (tfo-ty A) (tfo-e B)) 328 (FLOAT* (tfo-tz A) (tfo-h B)) 329 (tfo-ty B)) 330 (FLOAT+ (FLOAT* (tfo-tx A) (tfo-c B)) 331 (FLOAT* (tfo-ty A) (tfo-f B)) 332 (FLOAT* (tfo-tz A) (tfo-i B)) 333 (tfo-tz B)))) 334 335; The function "tfo-inv-ortho" computes the inverse of a homogeneous 336; transformation matrix. 337 338(define (tfo-inv-ortho tfo) 339 (let* ((tx (tfo-tx tfo)) 340 (ty (tfo-ty tfo)) 341 (tz (tfo-tz tfo))) 342 (make-tfo 343 (tfo-a tfo) (tfo-d tfo) (tfo-g tfo) 344 (tfo-b tfo) (tfo-e tfo) (tfo-h tfo) 345 (tfo-c tfo) (tfo-f tfo) (tfo-i tfo) 346 (FLOAT- (FLOAT+ (FLOAT* (tfo-a tfo) tx) 347 (FLOAT* (tfo-b tfo) ty) 348 (FLOAT* (tfo-c tfo) tz))) 349 (FLOAT- (FLOAT+ (FLOAT* (tfo-d tfo) tx) 350 (FLOAT* (tfo-e tfo) ty) 351 (FLOAT* (tfo-f tfo) tz))) 352 (FLOAT- (FLOAT+ (FLOAT* (tfo-g tfo) tx) 353 (FLOAT* (tfo-h tfo) ty) 354 (FLOAT* (tfo-i tfo) tz)))))) 355 356; Given three points p1, p2, and p3, the function "tfo-align" computes 357; a transformation matrix such that point p1 gets mapped to (0,0,0), p2 gets 358; mapped to the Y axis and p3 gets mapped to the YZ plane. 359 360(define (tfo-align p1 p2 p3) 361 (let* ((x1 (pt-x p1)) (y1 (pt-y p1)) (z1 (pt-z p1)) 362 (x3 (pt-x p3)) (y3 (pt-y p3)) (z3 (pt-z p3)) 363 (x31 (FLOAT- x3 x1)) (y31 (FLOAT- y3 y1)) (z31 (FLOAT- z3 z1)) 364 (rotpY (pt-sub p2 p1)) 365 (Phi (pt-phi rotpY)) 366 (Theta (pt-theta rotpY)) 367 (sinP (FLOATsin Phi)) 368 (sinT (FLOATsin Theta)) 369 (cosP (FLOATcos Phi)) 370 (cosT (FLOATcos Theta)) 371 (sinPsinT (FLOAT* sinP sinT)) 372 (sinPcosT (FLOAT* sinP cosT)) 373 (cosPsinT (FLOAT* cosP sinT)) 374 (cosPcosT (FLOAT* cosP cosT)) 375 (rotpZ 376 (make-pt 377 (FLOAT- (FLOAT* cosT x31) 378 (FLOAT* sinT z31)) 379 (FLOAT+ (FLOAT* sinPsinT x31) 380 (FLOAT* cosP y31) 381 (FLOAT* sinPcosT z31)) 382 (FLOAT+ (FLOAT* cosPsinT x31) 383 (FLOAT- (FLOAT* sinP y31)) 384 (FLOAT* cosPcosT z31)))) 385 (Rho (pt-theta rotpZ)) 386 (cosR (FLOATcos Rho)) 387 (sinR (FLOATsin Rho)) 388 (x (FLOAT+ (FLOAT- (FLOAT* x1 cosT)) 389 (FLOAT* z1 sinT))) 390 (y (FLOAT- (FLOAT- (FLOAT- (FLOAT* x1 sinPsinT)) 391 (FLOAT* y1 cosP)) 392 (FLOAT* z1 sinPcosT))) 393 (z (FLOAT- (FLOAT+ (FLOAT- (FLOAT* x1 cosPsinT)) 394 (FLOAT* y1 sinP)) 395 (FLOAT* z1 cosPcosT)))) 396 (make-tfo 397 (FLOAT- (FLOAT* cosT cosR) (FLOAT* cosPsinT sinR)) 398 sinPsinT 399 (FLOAT+ (FLOAT* cosT sinR) (FLOAT* cosPsinT cosR)) 400 (FLOAT* sinP sinR) 401 cosP 402 (FLOAT- (FLOAT* sinP cosR)) 403 (FLOAT- (FLOAT- (FLOAT* sinT cosR)) (FLOAT* cosPcosT sinR)) 404 sinPcosT 405 (FLOAT+ (FLOAT- (FLOAT* sinT sinR)) (FLOAT* cosPcosT cosR)) 406 (FLOAT- (FLOAT* x cosR) (FLOAT* z sinR)) 407 y 408 (FLOAT+ (FLOAT* x sinR) (FLOAT* z cosR))))) 409 410; -- NUCLEIC ACID CONFORMATIONS DATA BASE ------------------------------------- 411 412; Numbering of atoms follows the paper: 413; 414; IUPAC-IUB Joint Commission on Biochemical Nomenclature (JCBN) 415; (1983) Abbreviations and Symbols for the Description of 416; Conformations of Polynucleotide Chains. Eur. J. Biochem 131, 417; 9-15. 418; 419; In the atom names, we have used "*" instead of "'". 420 421; Define part common to all 4 nucleotide types. 422 423(define (nuc-dgf-base-tfo nuc) (vector-ref nuc 0)) 424(define (nuc-dgf-base-tfo-set! nuc val) (vector-set! nuc 0 val)) 425(define (nuc-P-O3*-275-tfo nuc) (vector-ref nuc 1)) 426(define (nuc-P-O3*-275-tfo-set! nuc val) (vector-set! nuc 1 val)) 427(define (nuc-P-O3*-180-tfo nuc) (vector-ref nuc 2)) 428(define (nuc-P-O3*-180-tfo-set! nuc val) (vector-set! nuc 2 val)) 429(define (nuc-P-O3*-60-tfo nuc) (vector-ref nuc 3)) 430(define (nuc-P-O3*-60-tfo-set! nuc val) (vector-set! nuc 3 val)) 431(define (nuc-P nuc) (vector-ref nuc 4)) 432(define (nuc-P-set! nuc val) (vector-set! nuc 4 val)) 433(define (nuc-O1P nuc) (vector-ref nuc 5)) 434(define (nuc-O1P-set! nuc val) (vector-set! nuc 5 val)) 435(define (nuc-O2P nuc) (vector-ref nuc 6)) 436(define (nuc-O2P-set! nuc val) (vector-set! nuc 6 val)) 437(define (nuc-O5* nuc) (vector-ref nuc 7)) 438(define (nuc-O5*-set! nuc val) (vector-set! nuc 7 val)) 439(define (nuc-C5* nuc) (vector-ref nuc 8)) 440(define (nuc-C5*-set! nuc val) (vector-set! nuc 8 val)) 441(define (nuc-H5* nuc) (vector-ref nuc 9)) 442(define (nuc-H5*-set! nuc val) (vector-set! nuc 9 val)) 443(define (nuc-H5** nuc) (vector-ref nuc 10)) 444(define (nuc-H5**-set! nuc val) (vector-set! nuc 10 val)) 445(define (nuc-C4* nuc) (vector-ref nuc 11)) 446(define (nuc-C4*-set! nuc val) (vector-set! nuc 11 val)) 447(define (nuc-H4* nuc) (vector-ref nuc 12)) 448(define (nuc-H4*-set! nuc val) (vector-set! nuc 12 val)) 449(define (nuc-O4* nuc) (vector-ref nuc 13)) 450(define (nuc-O4*-set! nuc val) (vector-set! nuc 13 val)) 451(define (nuc-C1* nuc) (vector-ref nuc 14)) 452(define (nuc-C1*-set! nuc val) (vector-set! nuc 14 val)) 453(define (nuc-H1* nuc) (vector-ref nuc 15)) 454(define (nuc-H1*-set! nuc val) (vector-set! nuc 15 val)) 455(define (nuc-C2* nuc) (vector-ref nuc 16)) 456(define (nuc-C2*-set! nuc val) (vector-set! nuc 16 val)) 457(define (nuc-H2** nuc) (vector-ref nuc 17)) 458(define (nuc-H2**-set! nuc val) (vector-set! nuc 17 val)) 459(define (nuc-O2* nuc) (vector-ref nuc 18)) 460(define (nuc-O2*-set! nuc val) (vector-set! nuc 18 val)) 461(define (nuc-H2* nuc) (vector-ref nuc 19)) 462(define (nuc-H2*-set! nuc val) (vector-set! nuc 19 val)) 463(define (nuc-C3* nuc) (vector-ref nuc 20)) 464(define (nuc-C3*-set! nuc val) (vector-set! nuc 20 val)) 465(define (nuc-H3* nuc) (vector-ref nuc 21)) 466(define (nuc-H3*-set! nuc val) (vector-set! nuc 21 val)) 467(define (nuc-O3* nuc) (vector-ref nuc 22)) 468(define (nuc-O3*-set! nuc val) (vector-set! nuc 22 val)) 469(define (nuc-N1 nuc) (vector-ref nuc 23)) 470(define (nuc-N1-set! nuc val) (vector-set! nuc 23 val)) 471(define (nuc-N3 nuc) (vector-ref nuc 24)) 472(define (nuc-N3-set! nuc val) (vector-set! nuc 24 val)) 473(define (nuc-C2 nuc) (vector-ref nuc 25)) 474(define (nuc-C2-set! nuc val) (vector-set! nuc 25 val)) 475(define (nuc-C4 nuc) (vector-ref nuc 26)) 476(define (nuc-C4-set! nuc val) (vector-set! nuc 26 val)) 477(define (nuc-C5 nuc) (vector-ref nuc 27)) 478(define (nuc-C5-set! nuc val) (vector-set! nuc 27 val)) 479(define (nuc-C6 nuc) (vector-ref nuc 28)) 480(define (nuc-C6-set! nuc val) (vector-set! nuc 28 val)) 481 482; Define remaining atoms for each nucleotide type. 483 484(define (make-rA dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 485 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 486 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 487 N6 N7 N9 C8 H2 H61 H62 H8) 488 (vector dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 489 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 490 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 491 'rA N6 N7 N9 C8 H2 H61 H62 H8)) 492 493(define (rA? nuc) (eq? (vector-ref nuc 29) 'rA)) 494 495(define (rA-N6 nuc) (vector-ref nuc 30)) 496(define (rA-N6-set! nuc val) (vector-set! nuc 30 val)) 497(define (rA-N7 nuc) (vector-ref nuc 31)) 498(define (rA-N7-set! nuc val) (vector-set! nuc 31 val)) 499(define (rA-N9 nuc) (vector-ref nuc 32)) 500(define (rA-N9-set! nuc val) (vector-set! nuc 32 val)) 501(define (rA-C8 nuc) (vector-ref nuc 33)) 502(define (rA-C8-set! nuc val) (vector-set! nuc 33 val)) 503(define (rA-H2 nuc) (vector-ref nuc 34)) 504(define (rA-H2-set! nuc val) (vector-set! nuc 34 val)) 505(define (rA-H61 nuc) (vector-ref nuc 35)) 506(define (rA-H61-set! nuc val) (vector-set! nuc 35 val)) 507(define (rA-H62 nuc) (vector-ref nuc 36)) 508(define (rA-H62-set! nuc val) (vector-set! nuc 36 val)) 509(define (rA-H8 nuc) (vector-ref nuc 37)) 510(define (rA-H8-set! nuc val) (vector-set! nuc 37 val)) 511 512(define (make-rC dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 513 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 514 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 515 N4 O2 H41 H42 H5 H6) 516 (vector dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 517 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 518 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 519 'rC N4 O2 H41 H42 H5 H6)) 520 521(define (rC? nuc) (eq? (vector-ref nuc 29) 'rC)) 522 523(define (rC-N4 nuc) (vector-ref nuc 30)) 524(define (rC-N4-set! nuc val) (vector-set! nuc 30 val)) 525(define (rC-O2 nuc) (vector-ref nuc 31)) 526(define (rC-O2-set! nuc val) (vector-set! nuc 31 val)) 527(define (rC-H41 nuc) (vector-ref nuc 32)) 528(define (rC-H41-set! nuc val) (vector-set! nuc 32 val)) 529(define (rC-H42 nuc) (vector-ref nuc 33)) 530(define (rC-H42-set! nuc val) (vector-set! nuc 33 val)) 531(define (rC-H5 nuc) (vector-ref nuc 34)) 532(define (rC-H5-set! nuc val) (vector-set! nuc 34 val)) 533(define (rC-H6 nuc) (vector-ref nuc 35)) 534(define (rC-H6-set! nuc val) (vector-set! nuc 35 val)) 535 536(define (make-rG dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 537 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 538 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 539 N2 N7 N9 C8 O6 H1 H21 H22 H8) 540 (vector dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 541 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 542 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 543 'rG N2 N7 N9 C8 O6 H1 H21 H22 H8)) 544 545(define (rG? nuc) (eq? (vector-ref nuc 29) 'rG)) 546 547(define (rG-N2 nuc) (vector-ref nuc 30)) 548(define (rG-N2-set! nuc val) (vector-set! nuc 30 val)) 549(define (rG-N7 nuc) (vector-ref nuc 31)) 550(define (rG-N7-set! nuc val) (vector-set! nuc 31 val)) 551(define (rG-N9 nuc) (vector-ref nuc 32)) 552(define (rG-N9-set! nuc val) (vector-set! nuc 32 val)) 553(define (rG-C8 nuc) (vector-ref nuc 33)) 554(define (rG-C8-set! nuc val) (vector-set! nuc 33 val)) 555(define (rG-O6 nuc) (vector-ref nuc 34)) 556(define (rG-O6-set! nuc val) (vector-set! nuc 34 val)) 557(define (rG-H1 nuc) (vector-ref nuc 35)) 558(define (rG-H1-set! nuc val) (vector-set! nuc 35 val)) 559(define (rG-H21 nuc) (vector-ref nuc 36)) 560(define (rG-H21-set! nuc val) (vector-set! nuc 36 val)) 561(define (rG-H22 nuc) (vector-ref nuc 37)) 562(define (rG-H22-set! nuc val) (vector-set! nuc 37 val)) 563(define (rG-H8 nuc) (vector-ref nuc 38)) 564(define (rG-H8-set! nuc val) (vector-set! nuc 38 val)) 565 566(define (make-rU dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 567 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 568 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 569 O2 O4 H3 H5 H6) 570 (vector dgf-base-tfo P-O3*-275-tfo P-O3*-180-tfo P-O3*-60-tfo 571 P O1P O2P O5* C5* H5* H5** C4* H4* O4* C1* H1* C2* 572 H2** O2* H2* C3* H3* O3* N1 N3 C2 C4 C5 C6 573 'rU O2 O4 H3 H5 H6)) 574 575(define (rU? nuc) (eq? (vector-ref nuc 29) 'rU)) 576 577(define (rU-O2 nuc) (vector-ref nuc 30)) 578(define (rU-O2-set! nuc val) (vector-set! nuc 30 val)) 579(define (rU-O4 nuc) (vector-ref nuc 31)) 580(define (rU-O4-set! nuc val) (vector-set! nuc 31 val)) 581(define (rU-H3 nuc) (vector-ref nuc 32)) 582(define (rU-H3-set! nuc val) (vector-set! nuc 32 val)) 583(define (rU-H5 nuc) (vector-ref nuc 33)) 584(define (rU-H5-set! nuc val) (vector-set! nuc 33 val)) 585(define (rU-H6 nuc) (vector-ref nuc 34)) 586(define (rU-H6-set! nuc val) (vector-set! nuc 34 val)) 587 588; Database of nucleotide conformations: 589 590(define rA 591 (nuc-const 592 #( -0.0018 -0.8207 0.5714 ; dgf-base-tfo 593 0.2679 -0.5509 -0.7904 594 0.9634 0.1517 0.2209 595 0.0073 8.4030 0.6232) 596 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 597 -0.0433 -0.4257 0.9038 598 -0.5788 0.7480 0.3246 599 1.5227 6.9114 -7.0765) 600 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 601 0.4552 0.6637 0.5935 602 -0.8042 0.0203 0.5941 603 -6.9472 -4.1186 -5.9108) 604 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 605 -0.8247 0.5587 -0.0878 606 0.0426 0.2162 0.9754 607 6.2694 -7.0540 3.3316) 608 #( 2.8930 8.5380 -3.3280) ; P 609 #( 1.6980 7.6960 -3.5570) ; O1P 610 #( 3.2260 9.5010 -4.4020) ; O2P 611 #( 4.1590 7.6040 -3.0340) ; O5* 612 #( 5.4550 8.2120 -2.8810) ; C5* 613 #( 5.4546 8.8508 -1.9978) ; H5* 614 #( 5.7588 8.6625 -3.8259) ; H5** 615 #( 6.4970 7.1480 -2.5980) ; C4* 616 #( 7.4896 7.5919 -2.5214) ; H4* 617 #( 6.1630 6.4860 -1.3440) ; O4* 618 #( 6.5400 5.1200 -1.4190) ; C1* 619 #( 7.2763 4.9681 -0.6297) ; H1* 620 #( 7.1940 4.8830 -2.7770) ; C2* 621 #( 6.8667 3.9183 -3.1647) ; H2** 622 #( 8.5860 5.0910 -2.6140) ; O2* 623 #( 8.9510 4.7626 -1.7890) ; H2* 624 #( 6.5720 6.0040 -3.6090) ; C3* 625 #( 5.5636 5.7066 -3.8966) ; H3* 626 #( 7.3801 6.3562 -4.7350) ; O3* 627 #( 4.7150 0.4910 -0.1360) ; N1 628 #( 6.3490 2.1730 -0.6020) ; N3 629 #( 5.9530 0.9650 -0.2670) ; C2 630 #( 5.2900 2.9790 -0.8260) ; C4 631 #( 3.9720 2.6390 -0.7330) ; C5 632 #( 3.6770 1.3160 -0.3660) ; C6 633 rA 634 #( 2.4280 0.8450 -0.2360) ; N6 635 #( 3.1660 3.7290 -1.0360) ; N7 636 #( 5.3170 4.2990 -1.1930) ; N9 637 #( 4.0100 4.6780 -1.2990) ; C8 638 #( 6.6890 0.1903 -0.0518) ; H2 639 #( 1.6470 1.4460 -0.4040) ; H61 640 #( 2.2780 -0.1080 -0.0280) ; H62 641 #( 3.4421 5.5744 -1.5482) ; H8 642 )) 643 644(define rA01 645 (nuc-const 646 #( -0.0043 -0.8175 0.5759 ; dgf-base-tfo 647 0.2617 -0.5567 -0.7884 648 0.9651 0.1473 0.2164 649 0.0359 8.3929 0.5532) 650 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 651 -0.0433 -0.4257 0.9038 652 -0.5788 0.7480 0.3246 653 1.5227 6.9114 -7.0765) 654 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 655 0.4552 0.6637 0.5935 656 -0.8042 0.0203 0.5941 657 -6.9472 -4.1186 -5.9108) 658 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 659 -0.8247 0.5587 -0.0878 660 0.0426 0.2162 0.9754 661 6.2694 -7.0540 3.3316) 662 #( 2.8930 8.5380 -3.3280) ; P 663 #( 1.6980 7.6960 -3.5570) ; O1P 664 #( 3.2260 9.5010 -4.4020) ; O2P 665 #( 4.1590 7.6040 -3.0340) ; O5* 666 #( 5.4352 8.2183 -2.7757) ; C5* 667 #( 5.3830 8.7883 -1.8481) ; H5* 668 #( 5.7729 8.7436 -3.6691) ; H5** 669 #( 6.4830 7.1518 -2.5252) ; C4* 670 #( 7.4749 7.5972 -2.4482) ; H4* 671 #( 6.1626 6.4620 -1.2827) ; O4* 672 #( 6.5431 5.0992 -1.3905) ; C1* 673 #( 7.2871 4.9328 -0.6114) ; H1* 674 #( 7.1852 4.8935 -2.7592) ; C2* 675 #( 6.8573 3.9363 -3.1645) ; H2** 676 #( 8.5780 5.1025 -2.6046) ; O2* 677 #( 8.9516 4.7577 -1.7902) ; H2* 678 #( 6.5522 6.0300 -3.5612) ; C3* 679 #( 5.5420 5.7356 -3.8459) ; H3* 680 #( 7.3487 6.4089 -4.6867) ; O3* 681 #( 4.7442 0.4514 -0.1390) ; N1 682 #( 6.3687 2.1459 -0.5926) ; N3 683 #( 5.9795 0.9335 -0.2657) ; C2 684 #( 5.3052 2.9471 -0.8125) ; C4 685 #( 3.9891 2.5987 -0.7230) ; C5 686 #( 3.7016 1.2717 -0.3647) ; C6 687 rA 688 #( 2.4553 0.7925 -0.2390) ; N6 689 #( 3.1770 3.6859 -1.0198) ; N7 690 #( 5.3247 4.2695 -1.1710) ; N9 691 #( 4.0156 4.6415 -1.2759) ; C8 692 #( 6.7198 0.1618 -0.0547) ; H2 693 #( 1.6709 1.3900 -0.4039) ; H61 694 #( 2.3107 -0.1627 -0.0373) ; H62 695 #( 3.4426 5.5361 -1.5199) ; H8 696 )) 697 698(define rA02 699 (nuc-const 700 #( 0.5566 0.0449 0.8296 ; dgf-base-tfo 701 0.5125 0.7673 -0.3854 702 -0.6538 0.6397 0.4041 703 -9.1161 -3.7679 -2.9968) 704 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 705 -0.0433 -0.4257 0.9038 706 -0.5788 0.7480 0.3246 707 1.5227 6.9114 -7.0765) 708 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 709 0.4552 0.6637 0.5935 710 -0.8042 0.0203 0.5941 711 -6.9472 -4.1186 -5.9108) 712 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 713 -0.8247 0.5587 -0.0878 714 0.0426 0.2162 0.9754 715 6.2694 -7.0540 3.3316) 716 #( 2.8930 8.5380 -3.3280) ; P 717 #( 1.6980 7.6960 -3.5570) ; O1P 718 #( 3.2260 9.5010 -4.4020) ; O2P 719 #( 4.1590 7.6040 -3.0340) ; O5* 720 #( 4.5778 6.6594 -4.0364) ; C5* 721 #( 4.9220 7.1963 -4.9204) ; H5* 722 #( 3.7996 5.9091 -4.1764) ; H5** 723 #( 5.7873 5.8869 -3.5482) ; C4* 724 #( 6.0405 5.0875 -4.2446) ; H4* 725 #( 6.9135 6.8036 -3.4310) ; O4* 726 #( 7.7293 6.4084 -2.3392) ; C1* 727 #( 8.7078 6.1815 -2.7624) ; H1* 728 #( 7.1305 5.1418 -1.7347) ; C2* 729 #( 7.2040 5.1982 -0.6486) ; H2** 730 #( 7.7417 4.0392 -2.3813) ; O2* 731 #( 8.6785 4.1443 -2.5630) ; H2* 732 #( 5.6666 5.2728 -2.1536) ; C3* 733 #( 5.1747 5.9805 -1.4863) ; H3* 734 #( 4.9997 4.0086 -2.1973) ; O3* 735 #( 10.3245 8.5459 1.5467) ; N1 736 #( 9.8051 6.9432 -0.1497) ; N3 737 #( 10.5175 7.4328 0.8408) ; C2 738 #( 8.7523 7.7422 -0.4228) ; C4 739 #( 8.4257 8.9060 0.2099) ; C5 740 #( 9.2665 9.3242 1.2540) ; C6 741 rA 742 #( 9.0664 10.4462 1.9610) ; N6 743 #( 7.2750 9.4537 -0.3428) ; N7 744 #( 7.7962 7.5519 -1.3859) ; N9 745 #( 6.9479 8.6157 -1.2771) ; C8 746 #( 11.4063 6.9047 1.1859) ; H2 747 #( 8.2845 11.0341 1.7552) ; H61 748 #( 9.6584 10.6647 2.7198) ; H62 749 #( 6.0430 8.9853 -1.7594) ; H8 750 )) 751 752(define rA03 753 (nuc-const 754 #( -0.5021 0.0731 0.8617 ; dgf-base-tfo 755 -0.8112 0.3054 -0.4986 756 -0.2996 -0.9494 -0.0940 757 6.4273 -5.1944 -3.7807) 758 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 759 -0.0433 -0.4257 0.9038 760 -0.5788 0.7480 0.3246 761 1.5227 6.9114 -7.0765) 762 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 763 0.4552 0.6637 0.5935 764 -0.8042 0.0203 0.5941 765 -6.9472 -4.1186 -5.9108) 766 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 767 -0.8247 0.5587 -0.0878 768 0.0426 0.2162 0.9754 769 6.2694 -7.0540 3.3316) 770 #( 2.8930 8.5380 -3.3280) ; P 771 #( 1.6980 7.6960 -3.5570) ; O1P 772 #( 3.2260 9.5010 -4.4020) ; O2P 773 #( 4.1590 7.6040 -3.0340) ; O5* 774 #( 4.1214 6.7116 -1.9049) ; C5* 775 #( 3.3465 5.9610 -2.0607) ; H5* 776 #( 4.0789 7.2928 -0.9837) ; H5** 777 #( 5.4170 5.9293 -1.8186) ; C4* 778 #( 5.4506 5.3400 -0.9023) ; H4* 779 #( 5.5067 5.0417 -2.9703) ; O4* 780 #( 6.8650 4.9152 -3.3612) ; C1* 781 #( 7.1090 3.8577 -3.2603) ; H1* 782 #( 7.7152 5.7282 -2.3894) ; C2* 783 #( 8.5029 6.2356 -2.9463) ; H2** 784 #( 8.1036 4.8568 -1.3419) ; O2* 785 #( 8.3270 3.9651 -1.6184) ; H2* 786 #( 6.7003 6.7565 -1.8911) ; C3* 787 #( 6.5898 7.5329 -2.6482) ; H3* 788 #( 7.0505 7.2878 -0.6105) ; O3* 789 #( 9.6740 4.7656 -7.6614) ; N1 790 #( 9.0739 4.3013 -5.3941) ; N3 791 #( 9.8416 4.2192 -6.4581) ; C2 792 #( 7.9885 5.0632 -5.6446) ; C4 793 #( 7.6822 5.6856 -6.8194) ; C5 794 #( 8.5831 5.5215 -7.8840) ; C6 795 rA 796 #( 8.4084 6.0747 -9.0933) ; N6 797 #( 6.4857 6.3816 -6.7035) ; N7 798 #( 6.9740 5.3703 -4.7760) ; N9 799 #( 6.1133 6.1613 -5.4808) ; C8 800 #( 10.7627 3.6375 -6.4220) ; H2 801 #( 7.6031 6.6390 -9.2733) ; H61 802 #( 9.1004 5.9708 -9.7893) ; H62 803 #( 5.1705 6.6830 -5.3167) ; H8 804 )) 805 806(define rA04 807 (nuc-const 808 #( -0.5426 -0.8175 0.1929 ; dgf-base-tfo 809 0.8304 -0.5567 -0.0237 810 0.1267 0.1473 0.9809 811 -0.5075 8.3929 0.2229) 812 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 813 -0.0433 -0.4257 0.9038 814 -0.5788 0.7480 0.3246 815 1.5227 6.9114 -7.0765) 816 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 817 0.4552 0.6637 0.5935 818 -0.8042 0.0203 0.5941 819 -6.9472 -4.1186 -5.9108) 820 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 821 -0.8247 0.5587 -0.0878 822 0.0426 0.2162 0.9754 823 6.2694 -7.0540 3.3316) 824 #( 2.8930 8.5380 -3.3280) ; P 825 #( 1.6980 7.6960 -3.5570) ; O1P 826 #( 3.2260 9.5010 -4.4020) ; O2P 827 #( 4.1590 7.6040 -3.0340) ; O5* 828 #( 5.4352 8.2183 -2.7757) ; C5* 829 #( 5.3830 8.7883 -1.8481) ; H5* 830 #( 5.7729 8.7436 -3.6691) ; H5** 831 #( 6.4830 7.1518 -2.5252) ; C4* 832 #( 7.4749 7.5972 -2.4482) ; H4* 833 #( 6.1626 6.4620 -1.2827) ; O4* 834 #( 6.5431 5.0992 -1.3905) ; C1* 835 #( 7.2871 4.9328 -0.6114) ; H1* 836 #( 7.1852 4.8935 -2.7592) ; C2* 837 #( 6.8573 3.9363 -3.1645) ; H2** 838 #( 8.5780 5.1025 -2.6046) ; O2* 839 #( 8.9516 4.7577 -1.7902) ; H2* 840 #( 6.5522 6.0300 -3.5612) ; C3* 841 #( 5.5420 5.7356 -3.8459) ; H3* 842 #( 7.3487 6.4089 -4.6867) ; O3* 843 #( 3.6343 2.6680 2.0783) ; N1 844 #( 5.4505 3.9805 1.2446) ; N3 845 #( 4.7540 3.3816 2.1851) ; C2 846 #( 4.8805 3.7951 0.0354) ; C4 847 #( 3.7416 3.0925 -0.2305) ; C5 848 #( 3.0873 2.4980 0.8606) ; C6 849 rA 850 #( 1.9600 1.7805 0.7462) ; N6 851 #( 3.4605 3.1184 -1.5906) ; N7 852 #( 5.3247 4.2695 -1.1710) ; N9 853 #( 4.4244 3.8244 -2.0953) ; C8 854 #( 5.0814 3.4352 3.2234) ; H2 855 #( 1.5423 1.6454 -0.1520) ; H61 856 #( 1.5716 1.3398 1.5392) ; H62 857 #( 4.2675 3.8876 -3.1721) ; H8 858 )) 859 860(define rA05 861 (nuc-const 862 #( -0.5891 0.0449 0.8068 ; dgf-base-tfo 863 0.5375 0.7673 0.3498 864 -0.6034 0.6397 -0.4762 865 -0.3019 -3.7679 -9.5913) 866 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 867 -0.0433 -0.4257 0.9038 868 -0.5788 0.7480 0.3246 869 1.5227 6.9114 -7.0765) 870 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 871 0.4552 0.6637 0.5935 872 -0.8042 0.0203 0.5941 873 -6.9472 -4.1186 -5.9108) 874 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 875 -0.8247 0.5587 -0.0878 876 0.0426 0.2162 0.9754 877 6.2694 -7.0540 3.3316) 878 #( 2.8930 8.5380 -3.3280) ; P 879 #( 1.6980 7.6960 -3.5570) ; O1P 880 #( 3.2260 9.5010 -4.4020) ; O2P 881 #( 4.1590 7.6040 -3.0340) ; O5* 882 #( 4.5778 6.6594 -4.0364) ; C5* 883 #( 4.9220 7.1963 -4.9204) ; H5* 884 #( 3.7996 5.9091 -4.1764) ; H5** 885 #( 5.7873 5.8869 -3.5482) ; C4* 886 #( 6.0405 5.0875 -4.2446) ; H4* 887 #( 6.9135 6.8036 -3.4310) ; O4* 888 #( 7.7293 6.4084 -2.3392) ; C1* 889 #( 8.7078 6.1815 -2.7624) ; H1* 890 #( 7.1305 5.1418 -1.7347) ; C2* 891 #( 7.2040 5.1982 -0.6486) ; H2** 892 #( 7.7417 4.0392 -2.3813) ; O2* 893 #( 8.6785 4.1443 -2.5630) ; H2* 894 #( 5.6666 5.2728 -2.1536) ; C3* 895 #( 5.1747 5.9805 -1.4863) ; H3* 896 #( 4.9997 4.0086 -2.1973) ; O3* 897 #( 10.2594 10.6774 -1.0056) ; N1 898 #( 9.7528 8.7080 -2.2631) ; N3 899 #( 10.4471 9.7876 -1.9791) ; C2 900 #( 8.7271 8.5575 -1.3991) ; C4 901 #( 8.4100 9.3803 -0.3580) ; C5 902 #( 9.2294 10.5030 -0.1574) ; C6 903 rA 904 #( 9.0349 11.3951 0.8250) ; N6 905 #( 7.2891 8.9068 0.3121) ; N7 906 #( 7.7962 7.5519 -1.3859) ; N9 907 #( 6.9702 7.8292 -0.3353) ; C8 908 #( 11.3132 10.0537 -2.5851) ; H2 909 #( 8.2741 11.2784 1.4629) ; H61 910 #( 9.6733 12.1368 0.9529) ; H62 911 #( 6.0888 7.3990 0.1403) ; H8 912 )) 913 914(define rA06 915 (nuc-const 916 #( -0.9815 0.0731 -0.1772 ; dgf-base-tfo 917 0.1912 0.3054 -0.9328 918 -0.0141 -0.9494 -0.3137 919 5.7506 -5.1944 4.7470) 920 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 921 -0.0433 -0.4257 0.9038 922 -0.5788 0.7480 0.3246 923 1.5227 6.9114 -7.0765) 924 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 925 0.4552 0.6637 0.5935 926 -0.8042 0.0203 0.5941 927 -6.9472 -4.1186 -5.9108) 928 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 929 -0.8247 0.5587 -0.0878 930 0.0426 0.2162 0.9754 931 6.2694 -7.0540 3.3316) 932 #( 2.8930 8.5380 -3.3280) ; P 933 #( 1.6980 7.6960 -3.5570) ; O1P 934 #( 3.2260 9.5010 -4.4020) ; O2P 935 #( 4.1590 7.6040 -3.0340) ; O5* 936 #( 4.1214 6.7116 -1.9049) ; C5* 937 #( 3.3465 5.9610 -2.0607) ; H5* 938 #( 4.0789 7.2928 -0.9837) ; H5** 939 #( 5.4170 5.9293 -1.8186) ; C4* 940 #( 5.4506 5.3400 -0.9023) ; H4* 941 #( 5.5067 5.0417 -2.9703) ; O4* 942 #( 6.8650 4.9152 -3.3612) ; C1* 943 #( 7.1090 3.8577 -3.2603) ; H1* 944 #( 7.7152 5.7282 -2.3894) ; C2* 945 #( 8.5029 6.2356 -2.9463) ; H2** 946 #( 8.1036 4.8568 -1.3419) ; O2* 947 #( 8.3270 3.9651 -1.6184) ; H2* 948 #( 6.7003 6.7565 -1.8911) ; C3* 949 #( 6.5898 7.5329 -2.6482) ; H3* 950 #( 7.0505 7.2878 -0.6105) ; O3* 951 #( 6.6624 3.5061 -8.2986) ; N1 952 #( 6.5810 3.2570 -5.9221) ; N3 953 #( 6.5151 2.8263 -7.1625) ; C2 954 #( 6.8364 4.5817 -5.8882) ; C4 955 #( 7.0116 5.4064 -6.9609) ; C5 956 #( 6.9173 4.8260 -8.2361) ; C6 957 rA 958 #( 7.0668 5.5163 -9.3763) ; N6 959 #( 7.2573 6.7070 -6.5394) ; N7 960 #( 6.9740 5.3703 -4.7760) ; N9 961 #( 7.2238 6.6275 -5.2453) ; C8 962 #( 6.3146 1.7741 -7.3641) ; H2 963 #( 7.2568 6.4972 -9.3456) ; H61 964 #( 7.0437 5.0478 -10.2446) ; H62 965 #( 7.4108 7.6227 -4.8418) ; H8 966 )) 967 968(define rA07 969 (nuc-const 970 #( 0.2379 0.1310 -0.9624 ; dgf-base-tfo 971 -0.5876 -0.7696 -0.2499 972 -0.7734 0.6249 -0.1061 973 30.9870 -26.9344 42.6416) 974 #( 0.7529 0.1548 0.6397 ; P-O3*-275-tfo 975 0.2952 -0.9481 -0.1180 976 0.5882 0.2777 -0.7595 977 -58.8919 -11.3095 6.0866) 978 #( -0.0239 0.9667 -0.2546 ; P-O3*-180-tfo 979 0.9731 -0.0359 -0.2275 980 -0.2290 -0.2532 -0.9399 981 3.5401 -29.7913 52.2796) 982 #( -0.8912 -0.4531 0.0242 ; P-O3*-60-tfo 983 -0.1183 0.1805 -0.9764 984 0.4380 -0.8730 -0.2145 985 19.9023 54.8054 15.2799) 986 #( 41.8210 8.3880 43.5890) ; P 987 #( 42.5400 8.0450 44.8330) ; O1P 988 #( 42.2470 9.6920 42.9910) ; O2P 989 #( 40.2550 8.2030 43.7340) ; O5* 990 #( 39.3505 8.4697 42.6565) ; C5* 991 #( 39.1377 7.5433 42.1230) ; H5* 992 #( 39.7203 9.3119 42.0717) ; H5** 993 #( 38.0405 8.9195 43.2869) ; C4* 994 #( 37.3687 9.3036 42.5193) ; H4* 995 #( 37.4319 7.8146 43.9387) ; O4* 996 #( 37.1959 8.1354 45.3237) ; C1* 997 #( 36.1788 8.5202 45.3970) ; H1* 998 #( 38.1721 9.2328 45.6504) ; C2* 999 #( 39.1555 8.7939 45.8188) ; H2** 1000 #( 37.7862 10.0617 46.7013) ; O2* 1001 #( 37.3087 9.6229 47.4092) ; H2* 1002 #( 38.1844 10.0268 44.3367) ; C3* 1003 #( 39.1578 10.5054 44.2289) ; H3* 1004 #( 37.0547 10.9127 44.3441) ; O3* 1005 #( 34.8811 4.2072 47.5784) ; N1 1006 #( 35.1084 6.1336 46.1818) ; N3 1007 #( 34.4108 5.1360 46.7207) ; C2 1008 #( 36.3908 6.1224 46.6053) ; C4 1009 #( 36.9819 5.2334 47.4697) ; C5 1010 #( 36.1786 4.1985 48.0035) ; C6 1011 rA 1012 #( 36.6103 3.2749 48.8452) ; N6 1013 #( 38.3236 5.5522 47.6595) ; N7 1014 #( 37.3887 7.0024 46.2437) ; N9 1015 #( 38.5055 6.6096 46.9057) ; C8 1016 #( 33.3553 5.0152 46.4771) ; H2 1017 #( 37.5730 3.2804 49.1507) ; H61 1018 #( 35.9775 2.5638 49.1828) ; H62 1019 #( 39.5461 6.9184 47.0041) ; H8 1020 )) 1021 1022(define rA08 1023 (nuc-const 1024 #( 0.1084 -0.0895 -0.9901 ; dgf-base-tfo 1025 0.9789 -0.1638 0.1220 1026 -0.1731 -0.9824 0.0698 1027 -2.9039 47.2655 33.0094) 1028 #( 0.7529 0.1548 0.6397 ; P-O3*-275-tfo 1029 0.2952 -0.9481 -0.1180 1030 0.5882 0.2777 -0.7595 1031 -58.8919 -11.3095 6.0866) 1032 #( -0.0239 0.9667 -0.2546 ; P-O3*-180-tfo 1033 0.9731 -0.0359 -0.2275 1034 -0.2290 -0.2532 -0.9399 1035 3.5401 -29.7913 52.2796) 1036 #( -0.8912 -0.4531 0.0242 ; P-O3*-60-tfo 1037 -0.1183 0.1805 -0.9764 1038 0.4380 -0.8730 -0.2145 1039 19.9023 54.8054 15.2799) 1040 #( 41.8210 8.3880 43.5890) ; P 1041 #( 42.5400 8.0450 44.8330) ; O1P 1042 #( 42.2470 9.6920 42.9910) ; O2P 1043 #( 40.2550 8.2030 43.7340) ; O5* 1044 #( 39.4850 8.9301 44.6977) ; C5* 1045 #( 39.0638 9.8199 44.2296) ; H5* 1046 #( 40.0757 9.0713 45.6029) ; H5** 1047 #( 38.3102 8.0414 45.0789) ; C4* 1048 #( 37.7842 8.4637 45.9351) ; H4* 1049 #( 37.4200 7.9453 43.9769) ; O4* 1050 #( 37.2249 6.5609 43.6273) ; C1* 1051 #( 36.3360 6.2168 44.1561) ; H1* 1052 #( 38.4347 5.8414 44.1590) ; C2* 1053 #( 39.2688 5.9974 43.4749) ; H2** 1054 #( 38.2344 4.4907 44.4348) ; O2* 1055 #( 37.6374 4.0386 43.8341) ; H2* 1056 #( 38.6926 6.6079 45.4637) ; C3* 1057 #( 39.7585 6.5640 45.6877) ; H3* 1058 #( 37.8238 6.0705 46.4723) ; O3* 1059 #( 33.9162 6.2598 39.7758) ; N1 1060 #( 34.6709 6.5759 42.0215) ; N3 1061 #( 33.7257 6.5186 41.0858) ; C2 1062 #( 35.8935 6.3324 41.5018) ; C4 1063 #( 36.2105 6.0601 40.1932) ; C5 1064 #( 35.1538 6.0151 39.2537) ; C6 1065 rA 1066 #( 35.3088 5.7642 37.9649) ; N6 1067 #( 37.5818 5.8677 40.0507) ; N7 1068 #( 37.0932 6.3197 42.1810) ; N9 1069 #( 38.0509 6.0354 41.2635) ; C8 1070 #( 32.6830 6.6898 41.3532) ; H2 1071 #( 36.2305 5.5855 37.5925) ; H61 1072 #( 34.5056 5.7512 37.3528) ; H62 1073 #( 39.1318 5.8993 41.2285) ; H8 1074 )) 1075 1076(define rA09 1077 (nuc-const 1078 #( 0.8467 0.4166 -0.3311 ; dgf-base-tfo 1079 -0.3962 0.9089 0.1303 1080 0.3552 0.0209 0.9346 1081 -42.7319 -26.6223 -29.8163) 1082 #( 0.7529 0.1548 0.6397 ; P-O3*-275-tfo 1083 0.2952 -0.9481 -0.1180 1084 0.5882 0.2777 -0.7595 1085 -58.8919 -11.3095 6.0866) 1086 #( -0.0239 0.9667 -0.2546 ; P-O3*-180-tfo 1087 0.9731 -0.0359 -0.2275 1088 -0.2290 -0.2532 -0.9399 1089 3.5401 -29.7913 52.2796) 1090 #( -0.8912 -0.4531 0.0242 ; P-O3*-60-tfo 1091 -0.1183 0.1805 -0.9764 1092 0.4380 -0.8730 -0.2145 1093 19.9023 54.8054 15.2799) 1094 #( 41.8210 8.3880 43.5890) ; P 1095 #( 42.5400 8.0450 44.8330) ; O1P 1096 #( 42.2470 9.6920 42.9910) ; O2P 1097 #( 40.2550 8.2030 43.7340) ; O5* 1098 #( 39.3505 8.4697 42.6565) ; C5* 1099 #( 39.1377 7.5433 42.1230) ; H5* 1100 #( 39.7203 9.3119 42.0717) ; H5** 1101 #( 38.0405 8.9195 43.2869) ; C4* 1102 #( 37.6479 8.1347 43.9335) ; H4* 1103 #( 38.2691 10.0933 44.0524) ; O4* 1104 #( 37.3999 11.1488 43.5973) ; C1* 1105 #( 36.5061 11.1221 44.2206) ; H1* 1106 #( 37.0364 10.7838 42.1836) ; C2* 1107 #( 37.8636 11.0489 41.5252) ; H2** 1108 #( 35.8275 11.3133 41.7379) ; O2* 1109 #( 35.6214 12.1896 42.0714) ; H2* 1110 #( 36.9316 9.2556 42.2837) ; C3* 1111 #( 37.1778 8.8260 41.3127) ; H3* 1112 #( 35.6285 8.9334 42.7926) ; O3* 1113 #( 38.1482 15.2833 46.4641) ; N1 1114 #( 37.3641 13.0968 45.9007) ; N3 1115 #( 37.5032 14.1288 46.7300) ; C2 1116 #( 37.9570 13.3377 44.7113) ; C4 1117 #( 38.6397 14.4660 44.3267) ; C5 1118 #( 38.7473 15.5229 45.2609) ; C6 1119 rA 1120 #( 39.3720 16.6649 45.0297) ; N6 1121 #( 39.1079 14.3351 43.0223) ; N7 1122 #( 38.0132 12.4868 43.6280) ; N9 1123 #( 38.7058 13.1402 42.6620) ; C8 1124 #( 37.0731 14.0857 47.7306) ; H2 1125 #( 39.8113 16.8281 44.1350) ; H61 1126 #( 39.4100 17.3741 45.7478) ; H62 1127 #( 39.0412 12.9660 41.6397) ; H8 1128 )) 1129 1130(define rA10 1131 (nuc-const 1132 #( 0.7063 0.6317 -0.3196 ; dgf-base-tfo 1133 -0.0403 -0.4149 -0.9090 1134 -0.7068 0.6549 -0.2676 1135 6.4402 -52.1496 30.8246) 1136 #( 0.7529 0.1548 0.6397 ; P-O3*-275-tfo 1137 0.2952 -0.9481 -0.1180 1138 0.5882 0.2777 -0.7595 1139 -58.8919 -11.3095 6.0866) 1140 #( -0.0239 0.9667 -0.2546 ; P-O3*-180-tfo 1141 0.9731 -0.0359 -0.2275 1142 -0.2290 -0.2532 -0.9399 1143 3.5401 -29.7913 52.2796) 1144 #( -0.8912 -0.4531 0.0242 ; P-O3*-60-tfo 1145 -0.1183 0.1805 -0.9764 1146 0.4380 -0.8730 -0.2145 1147 19.9023 54.8054 15.2799) 1148 #( 41.8210 8.3880 43.5890) ; P 1149 #( 42.5400 8.0450 44.8330) ; O1P 1150 #( 42.2470 9.6920 42.9910) ; O2P 1151 #( 40.2550 8.2030 43.7340) ; O5* 1152 #( 39.4850 8.9301 44.6977) ; C5* 1153 #( 39.0638 9.8199 44.2296) ; H5* 1154 #( 40.0757 9.0713 45.6029) ; H5** 1155 #( 38.3102 8.0414 45.0789) ; C4* 1156 #( 37.7099 7.8166 44.1973) ; H4* 1157 #( 38.8012 6.8321 45.6380) ; O4* 1158 #( 38.2431 6.6413 46.9529) ; C1* 1159 #( 37.3505 6.0262 46.8385) ; H1* 1160 #( 37.8484 8.0156 47.4214) ; C2* 1161 #( 38.7381 8.5406 47.7690) ; H2** 1162 #( 36.8286 8.0368 48.3701) ; O2* 1163 #( 36.8392 7.3063 48.9929) ; H2* 1164 #( 37.3576 8.6512 46.1132) ; C3* 1165 #( 37.5207 9.7275 46.1671) ; H3* 1166 #( 35.9985 8.2392 45.9032) ; O3* 1167 #( 39.9117 2.2278 48.8527) ; N1 1168 #( 38.6207 3.6941 47.4757) ; N3 1169 #( 38.9872 2.4888 47.9057) ; C2 1170 #( 39.2961 4.6720 48.1174) ; C4 1171 #( 40.2546 4.5307 49.0912) ; C5 1172 #( 40.5932 3.2189 49.4985) ; C6 1173 rA 1174 #( 41.4938 2.9317 50.4229) ; N6 1175 #( 40.7195 5.7755 49.5060) ; N7 1176 #( 39.1730 6.0305 47.9170) ; N9 1177 #( 40.0413 6.6250 48.7728) ; C8 1178 #( 38.5257 1.5960 47.4838) ; H2 1179 #( 41.9907 3.6753 50.8921) ; H61 1180 #( 41.6848 1.9687 50.6599) ; H62 1181 #( 40.3571 7.6321 49.0452) ; H8 1182 )) 1183 1184(define rAs 1185 (list rA01 rA02 rA03 rA04 rA05 rA06 rA07 rA08 rA09 rA10)) 1186 1187(define rC 1188 (nuc-const 1189 #( -0.0359 -0.8071 0.5894 ; dgf-base-tfo 1190 -0.2669 0.5761 0.7726 1191 -0.9631 -0.1296 -0.2361 1192 0.1584 8.3434 0.5434) 1193 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1194 0.0649 0.4366 -0.8973 1195 0.5521 -0.7648 -0.3322 1196 1.6833 6.8060 -7.0011) 1197 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1198 -0.4628 -0.6450 -0.6082 1199 0.8168 -0.0436 -0.5753 1200 -6.8179 -3.9778 -5.9887) 1201 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1202 0.8103 -0.5790 0.0906 1203 -0.0255 -0.1894 -0.9816 1204 6.1203 -7.1051 3.1984) 1205 #( 2.6760 -8.4960 3.2880) ; P 1206 #( 1.4950 -7.6230 3.4770) ; O1P 1207 #( 2.9490 -9.4640 4.3740) ; O2P 1208 #( 3.9730 -7.5950 3.0340) ; O5* 1209 #( 5.2430 -8.2420 2.8260) ; C5* 1210 #( 5.1974 -8.8497 1.9223) ; H5* 1211 #( 5.5548 -8.7348 3.7469) ; H5** 1212 #( 6.3140 -7.2060 2.5510) ; C4* 1213 #( 7.2954 -7.6762 2.4898) ; H4* 1214 #( 6.0140 -6.5420 1.2890) ; O4* 1215 #( 6.4190 -5.1840 1.3620) ; C1* 1216 #( 7.1608 -5.0495 0.5747) ; H1* 1217 #( 7.0760 -4.9560 2.7270) ; C2* 1218 #( 6.7770 -3.9803 3.1099) ; H2** 1219 #( 8.4500 -5.1930 2.5810) ; O2* 1220 #( 8.8309 -4.8755 1.7590) ; H2* 1221 #( 6.4060 -6.0590 3.5580) ; C3* 1222 #( 5.4021 -5.7313 3.8281) ; H3* 1223 #( 7.1570 -6.4240 4.7070) ; O3* 1224 #( 5.2170 -4.3260 1.1690) ; N1 1225 #( 4.2960 -2.2560 0.6290) ; N3 1226 #( 5.4330 -3.0200 0.7990) ; C2 1227 #( 2.9930 -2.6780 0.7940) ; C4 1228 #( 2.8670 -4.0630 1.1830) ; C5 1229 #( 3.9570 -4.8300 1.3550) ; C6 1230 rC 1231 #( 2.0187 -1.8047 0.5874) ; N4 1232 #( 6.5470 -2.5560 0.6290) ; O2 1233 #( 1.0684 -2.1236 0.7109) ; H41 1234 #( 2.2344 -0.8560 0.3162) ; H42 1235 #( 1.8797 -4.4972 1.3404) ; H5 1236 #( 3.8479 -5.8742 1.6480) ; H6 1237 )) 1238 1239(define rC01 1240 (nuc-const 1241 #( -0.0137 -0.8012 0.5983 ; dgf-base-tfo 1242 -0.2523 0.5817 0.7733 1243 -0.9675 -0.1404 -0.2101 1244 0.2031 8.3874 0.4228) 1245 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1246 0.0649 0.4366 -0.8973 1247 0.5521 -0.7648 -0.3322 1248 1.6833 6.8060 -7.0011) 1249 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1250 -0.4628 -0.6450 -0.6082 1251 0.8168 -0.0436 -0.5753 1252 -6.8179 -3.9778 -5.9887) 1253 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1254 0.8103 -0.5790 0.0906 1255 -0.0255 -0.1894 -0.9816 1256 6.1203 -7.1051 3.1984) 1257 #( 2.6760 -8.4960 3.2880) ; P 1258 #( 1.4950 -7.6230 3.4770) ; O1P 1259 #( 2.9490 -9.4640 4.3740) ; O2P 1260 #( 3.9730 -7.5950 3.0340) ; O5* 1261 #( 5.2416 -8.2422 2.8181) ; C5* 1262 #( 5.2050 -8.8128 1.8901) ; H5* 1263 #( 5.5368 -8.7738 3.7227) ; H5** 1264 #( 6.3232 -7.2037 2.6002) ; C4* 1265 #( 7.3048 -7.6757 2.5577) ; H4* 1266 #( 6.0635 -6.5092 1.3456) ; O4* 1267 #( 6.4697 -5.1547 1.4629) ; C1* 1268 #( 7.2354 -5.0043 0.7018) ; H1* 1269 #( 7.0856 -4.9610 2.8521) ; C2* 1270 #( 6.7777 -3.9935 3.2487) ; H2** 1271 #( 8.4627 -5.1992 2.7423) ; O2* 1272 #( 8.8693 -4.8638 1.9399) ; H2* 1273 #( 6.3877 -6.0809 3.6362) ; C3* 1274 #( 5.3770 -5.7562 3.8834) ; H3* 1275 #( 7.1024 -6.4754 4.7985) ; O3* 1276 #( 5.2764 -4.2883 1.2538) ; N1 1277 #( 4.3777 -2.2062 0.7229) ; N3 1278 #( 5.5069 -2.9779 0.9088) ; C2 1279 #( 3.0693 -2.6246 0.8500) ; C4 1280 #( 2.9279 -4.0146 1.2149) ; C5 1281 #( 4.0101 -4.7892 1.4017) ; C6 1282 rC 1283 #( 2.1040 -1.7437 0.6331) ; N4 1284 #( 6.6267 -2.5166 0.7728) ; O2 1285 #( 1.1496 -2.0600 0.7287) ; H41 1286 #( 2.3303 -0.7921 0.3815) ; H42 1287 #( 1.9353 -4.4465 1.3419) ; H5 1288 #( 3.8895 -5.8371 1.6762) ; H6 1289 )) 1290 1291(define rC02 1292 (nuc-const 1293 #( 0.5141 0.0246 0.8574 ; dgf-base-tfo 1294 -0.5547 -0.7529 0.3542 1295 0.6542 -0.6577 -0.3734 1296 -9.1111 -3.4598 -3.2939) 1297 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1298 0.0649 0.4366 -0.8973 1299 0.5521 -0.7648 -0.3322 1300 1.6833 6.8060 -7.0011) 1301 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1302 -0.4628 -0.6450 -0.6082 1303 0.8168 -0.0436 -0.5753 1304 -6.8179 -3.9778 -5.9887) 1305 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1306 0.8103 -0.5790 0.0906 1307 -0.0255 -0.1894 -0.9816 1308 6.1203 -7.1051 3.1984) 1309 #( 2.6760 -8.4960 3.2880) ; P 1310 #( 1.4950 -7.6230 3.4770) ; O1P 1311 #( 2.9490 -9.4640 4.3740) ; O2P 1312 #( 3.9730 -7.5950 3.0340) ; O5* 1313 #( 4.3825 -6.6585 4.0489) ; C5* 1314 #( 4.6841 -7.2019 4.9443) ; H5* 1315 #( 3.6189 -5.8889 4.1625) ; H5** 1316 #( 5.6255 -5.9175 3.5998) ; C4* 1317 #( 5.8732 -5.1228 4.3034) ; H4* 1318 #( 6.7337 -6.8605 3.5222) ; O4* 1319 #( 7.5932 -6.4923 2.4548) ; C1* 1320 #( 8.5661 -6.2983 2.9064) ; H1* 1321 #( 7.0527 -5.2012 1.8322) ; C2* 1322 #( 7.1627 -5.2525 0.7490) ; H2** 1323 #( 7.6666 -4.1249 2.4880) ; O2* 1324 #( 8.5944 -4.2543 2.6981) ; H2* 1325 #( 5.5661 -5.3029 2.2009) ; C3* 1326 #( 5.0841 -6.0018 1.5172) ; H3* 1327 #( 4.9062 -4.0452 2.2042) ; O3* 1328 #( 7.6298 -7.6136 1.4752) ; N1 1329 #( 8.6945 -8.7046 -0.2857) ; N3 1330 #( 8.6943 -7.6514 0.6066) ; C2 1331 #( 7.7426 -9.6987 -0.3801) ; C4 1332 #( 6.6642 -9.5742 0.5722) ; C5 1333 #( 6.6391 -8.5592 1.4526) ; C6 1334 rC 1335 #( 7.9033 -10.6371 -1.3010) ; N4 1336 #( 9.5840 -6.8186 0.6136) ; O2 1337 #( 7.2009 -11.3604 -1.3619) ; H41 1338 #( 8.7058 -10.6168 -1.9140) ; H42 1339 #( 5.8585 -10.3083 0.5822) ; H5 1340 #( 5.8197 -8.4773 2.1667) ; H6 1341 )) 1342 1343(define rC03 1344 (nuc-const 1345 #( -0.4993 0.0476 0.8651 ; dgf-base-tfo 1346 0.8078 -0.3353 0.4847 1347 0.3132 0.9409 0.1290 1348 6.2989 -5.2303 -3.8577) 1349 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1350 0.0649 0.4366 -0.8973 1351 0.5521 -0.7648 -0.3322 1352 1.6833 6.8060 -7.0011) 1353 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1354 -0.4628 -0.6450 -0.6082 1355 0.8168 -0.0436 -0.5753 1356 -6.8179 -3.9778 -5.9887) 1357 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1358 0.8103 -0.5790 0.0906 1359 -0.0255 -0.1894 -0.9816 1360 6.1203 -7.1051 3.1984) 1361 #( 2.6760 -8.4960 3.2880) ; P 1362 #( 1.4950 -7.6230 3.4770) ; O1P 1363 #( 2.9490 -9.4640 4.3740) ; O2P 1364 #( 3.9730 -7.5950 3.0340) ; O5* 1365 #( 3.9938 -6.7042 1.9023) ; C5* 1366 #( 3.2332 -5.9343 2.0319) ; H5* 1367 #( 3.9666 -7.2863 0.9812) ; H5** 1368 #( 5.3098 -5.9546 1.8564) ; C4* 1369 #( 5.3863 -5.3702 0.9395) ; H4* 1370 #( 5.3851 -5.0642 3.0076) ; O4* 1371 #( 6.7315 -4.9724 3.4462) ; C1* 1372 #( 7.0033 -3.9202 3.3619) ; H1* 1373 #( 7.5997 -5.8018 2.4948) ; C2* 1374 #( 8.3627 -6.3254 3.0707) ; H2** 1375 #( 8.0410 -4.9501 1.4724) ; O2* 1376 #( 8.2781 -4.0644 1.7570) ; H2* 1377 #( 6.5701 -6.8129 1.9714) ; C3* 1378 #( 6.4186 -7.5809 2.7299) ; H3* 1379 #( 6.9357 -7.3841 0.7235) ; O3* 1380 #( 6.8024 -5.4718 4.8475) ; N1 1381 #( 7.9218 -5.5700 6.8877) ; N3 1382 #( 7.8908 -5.0886 5.5944) ; C2 1383 #( 6.9789 -6.3827 7.4823) ; C4 1384 #( 5.8742 -6.7319 6.6202) ; C5 1385 #( 5.8182 -6.2769 5.3570) ; C6 1386 rC 1387 #( 7.1702 -6.7511 8.7402) ; N4 1388 #( 8.7747 -4.3728 5.1568) ; O2 1389 #( 6.4741 -7.3461 9.1662) ; H41 1390 #( 7.9889 -6.4396 9.2429) ; H42 1391 #( 5.0736 -7.3713 6.9922) ; H5 1392 #( 4.9784 -6.5473 4.7170) ; H6 1393 )) 1394 1395(define rC04 1396 (nuc-const 1397 #( -0.5669 -0.8012 0.1918 ; dgf-base-tfo 1398 -0.8129 0.5817 0.0273 1399 -0.1334 -0.1404 -0.9811 1400 -0.3279 8.3874 0.3355) 1401 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1402 0.0649 0.4366 -0.8973 1403 0.5521 -0.7648 -0.3322 1404 1.6833 6.8060 -7.0011) 1405 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1406 -0.4628 -0.6450 -0.6082 1407 0.8168 -0.0436 -0.5753 1408 -6.8179 -3.9778 -5.9887) 1409 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1410 0.8103 -0.5790 0.0906 1411 -0.0255 -0.1894 -0.9816 1412 6.1203 -7.1051 3.1984) 1413 #( 2.6760 -8.4960 3.2880) ; P 1414 #( 1.4950 -7.6230 3.4770) ; O1P 1415 #( 2.9490 -9.4640 4.3740) ; O2P 1416 #( 3.9730 -7.5950 3.0340) ; O5* 1417 #( 5.2416 -8.2422 2.8181) ; C5* 1418 #( 5.2050 -8.8128 1.8901) ; H5* 1419 #( 5.5368 -8.7738 3.7227) ; H5** 1420 #( 6.3232 -7.2037 2.6002) ; C4* 1421 #( 7.3048 -7.6757 2.5577) ; H4* 1422 #( 6.0635 -6.5092 1.3456) ; O4* 1423 #( 6.4697 -5.1547 1.4629) ; C1* 1424 #( 7.2354 -5.0043 0.7018) ; H1* 1425 #( 7.0856 -4.9610 2.8521) ; C2* 1426 #( 6.7777 -3.9935 3.2487) ; H2** 1427 #( 8.4627 -5.1992 2.7423) ; O2* 1428 #( 8.8693 -4.8638 1.9399) ; H2* 1429 #( 6.3877 -6.0809 3.6362) ; C3* 1430 #( 5.3770 -5.7562 3.8834) ; H3* 1431 #( 7.1024 -6.4754 4.7985) ; O3* 1432 #( 5.2764 -4.2883 1.2538) ; N1 1433 #( 3.8961 -3.0896 -0.1893) ; N3 1434 #( 5.0095 -3.8907 -0.0346) ; C2 1435 #( 3.0480 -2.6632 0.8116) ; C4 1436 #( 3.4093 -3.1310 2.1292) ; C5 1437 #( 4.4878 -3.9124 2.3088) ; C6 1438 rC 1439 #( 2.0216 -1.8941 0.4804) ; N4 1440 #( 5.7005 -4.2164 -0.9842) ; O2 1441 #( 1.4067 -1.5873 1.2205) ; H41 1442 #( 1.8721 -1.6319 -0.4835) ; H42 1443 #( 2.8048 -2.8507 2.9918) ; H5 1444 #( 4.7491 -4.2593 3.3085) ; H6 1445 )) 1446 1447(define rC05 1448 (nuc-const 1449 #( -0.6298 0.0246 0.7763 ; dgf-base-tfo 1450 -0.5226 -0.7529 -0.4001 1451 0.5746 -0.6577 0.4870 1452 -0.0208 -3.4598 -9.6882) 1453 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1454 0.0649 0.4366 -0.8973 1455 0.5521 -0.7648 -0.3322 1456 1.6833 6.8060 -7.0011) 1457 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1458 -0.4628 -0.6450 -0.6082 1459 0.8168 -0.0436 -0.5753 1460 -6.8179 -3.9778 -5.9887) 1461 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1462 0.8103 -0.5790 0.0906 1463 -0.0255 -0.1894 -0.9816 1464 6.1203 -7.1051 3.1984) 1465 #( 2.6760 -8.4960 3.2880) ; P 1466 #( 1.4950 -7.6230 3.4770) ; O1P 1467 #( 2.9490 -9.4640 4.3740) ; O2P 1468 #( 3.9730 -7.5950 3.0340) ; O5* 1469 #( 4.3825 -6.6585 4.0489) ; C5* 1470 #( 4.6841 -7.2019 4.9443) ; H5* 1471 #( 3.6189 -5.8889 4.1625) ; H5** 1472 #( 5.6255 -5.9175 3.5998) ; C4* 1473 #( 5.8732 -5.1228 4.3034) ; H4* 1474 #( 6.7337 -6.8605 3.5222) ; O4* 1475 #( 7.5932 -6.4923 2.4548) ; C1* 1476 #( 8.5661 -6.2983 2.9064) ; H1* 1477 #( 7.0527 -5.2012 1.8322) ; C2* 1478 #( 7.1627 -5.2525 0.7490) ; H2** 1479 #( 7.6666 -4.1249 2.4880) ; O2* 1480 #( 8.5944 -4.2543 2.6981) ; H2* 1481 #( 5.5661 -5.3029 2.2009) ; C3* 1482 #( 5.0841 -6.0018 1.5172) ; H3* 1483 #( 4.9062 -4.0452 2.2042) ; O3* 1484 #( 7.6298 -7.6136 1.4752) ; N1 1485 #( 8.5977 -9.5977 0.7329) ; N3 1486 #( 8.5951 -8.5745 1.6594) ; C2 1487 #( 7.7372 -9.7371 -0.3364) ; C4 1488 #( 6.7596 -8.6801 -0.4476) ; C5 1489 #( 6.7338 -7.6721 0.4408) ; C6 1490 rC 1491 #( 7.8849 -10.7881 -1.1289) ; N4 1492 #( 9.3993 -8.5377 2.5743) ; O2 1493 #( 7.2499 -10.8809 -1.9088) ; H41 1494 #( 8.6122 -11.4649 -0.9468) ; H42 1495 #( 6.0317 -8.6941 -1.2588) ; H5 1496 #( 5.9901 -6.8809 0.3459) ; H6 1497 )) 1498 1499(define rC06 1500 (nuc-const 1501 #( -0.9837 0.0476 -0.1733 ; dgf-base-tfo 1502 -0.1792 -0.3353 0.9249 1503 -0.0141 0.9409 0.3384 1504 5.7793 -5.2303 4.5997) 1505 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 1506 0.0649 0.4366 -0.8973 1507 0.5521 -0.7648 -0.3322 1508 1.6833 6.8060 -7.0011) 1509 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 1510 -0.4628 -0.6450 -0.6082 1511 0.8168 -0.0436 -0.5753 1512 -6.8179 -3.9778 -5.9887) 1513 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 1514 0.8103 -0.5790 0.0906 1515 -0.0255 -0.1894 -0.9816 1516 6.1203 -7.1051 3.1984) 1517 #( 2.6760 -8.4960 3.2880) ; P 1518 #( 1.4950 -7.6230 3.4770) ; O1P 1519 #( 2.9490 -9.4640 4.3740) ; O2P 1520 #( 3.9730 -7.5950 3.0340) ; O5* 1521 #( 3.9938 -6.7042 1.9023) ; C5* 1522 #( 3.2332 -5.9343 2.0319) ; H5* 1523 #( 3.9666 -7.2863 0.9812) ; H5** 1524 #( 5.3098 -5.9546 1.8564) ; C4* 1525 #( 5.3863 -5.3702 0.9395) ; H4* 1526 #( 5.3851 -5.0642 3.0076) ; O4* 1527 #( 6.7315 -4.9724 3.4462) ; C1* 1528 #( 7.0033 -3.9202 3.3619) ; H1* 1529 #( 7.5997 -5.8018 2.4948) ; C2* 1530 #( 8.3627 -6.3254 3.0707) ; H2** 1531 #( 8.0410 -4.9501 1.4724) ; O2* 1532 #( 8.2781 -4.0644 1.7570) ; H2* 1533 #( 6.5701 -6.8129 1.9714) ; C3* 1534 #( 6.4186 -7.5809 2.7299) ; H3* 1535 #( 6.9357 -7.3841 0.7235) ; O3* 1536 #( 6.8024 -5.4718 4.8475) ; N1 1537 #( 6.6920 -5.0495 7.1354) ; N3 1538 #( 6.6201 -4.5500 5.8506) ; C2 1539 #( 6.9254 -6.3614 7.4926) ; C4 1540 #( 7.1046 -7.2543 6.3718) ; C5 1541 #( 7.0391 -6.7951 5.1106) ; C6 1542 rC 1543 #( 6.9614 -6.6648 8.7815) ; N4 1544 #( 6.4083 -3.3696 5.6340) ; O2 1545 #( 7.1329 -7.6280 9.0324) ; H41 1546 #( 6.8204 -5.9469 9.4777) ; H42 1547 #( 7.2954 -8.3135 6.5440) ; H5 1548 #( 7.1753 -7.4798 4.2735) ; H6 1549 )) 1550 1551(define rC07 1552 (nuc-const 1553 #( 0.0033 0.2720 -0.9623 ; dgf-base-tfo 1554 0.3013 -0.9179 -0.2584 1555 -0.9535 -0.2891 -0.0850 1556 43.0403 13.7233 34.5710) 1557 #( 0.9187 0.2887 0.2694 ; P-O3*-275-tfo 1558 0.0302 -0.7316 0.6811 1559 0.3938 -0.6176 -0.6808 1560 -48.4330 26.3254 13.6383) 1561 #( -0.1504 0.7744 -0.6145 ; P-O3*-180-tfo 1562 0.7581 0.4893 0.4311 1563 0.6345 -0.4010 -0.6607 1564 -31.9784 -13.4285 44.9650) 1565 #( -0.6236 -0.7810 -0.0337 ; P-O3*-60-tfo 1566 -0.6890 0.5694 -0.4484 1567 0.3694 -0.2564 -0.8932 1568 12.1105 30.8774 46.0946) 1569 #( 33.3400 11.0980 46.1750) ; P 1570 #( 34.5130 10.2320 46.4660) ; O1P 1571 #( 33.4130 12.3960 46.9340) ; O2P 1572 #( 31.9810 10.3390 46.4820) ; O5* 1573 #( 30.8152 11.1619 46.2003) ; C5* 1574 #( 30.4519 10.9454 45.1957) ; H5* 1575 #( 31.0379 12.2016 46.4400) ; H5** 1576 #( 29.7081 10.7448 47.1428) ; C4* 1577 #( 28.8710 11.4416 47.0982) ; H4* 1578 #( 29.2550 9.4394 46.8162) ; O4* 1579 #( 29.3907 8.5625 47.9460) ; C1* 1580 #( 28.4416 8.5669 48.4819) ; H1* 1581 #( 30.4468 9.2031 48.7952) ; C2* 1582 #( 31.4222 8.9651 48.3709) ; H2** 1583 #( 30.3701 8.9157 50.1624) ; O2* 1584 #( 30.0652 8.0304 50.3740) ; H2* 1585 #( 30.1622 10.6879 48.6120) ; C3* 1586 #( 31.0952 11.2399 48.7254) ; H3* 1587 #( 29.1076 11.1535 49.4702) ; O3* 1588 #( 29.7883 7.2209 47.5235) ; N1 1589 #( 29.1825 5.0438 46.8275) ; N3 1590 #( 28.8008 6.2912 47.2263) ; C2 1591 #( 30.4888 4.6890 46.7186) ; C4 1592 #( 31.5034 5.6405 47.0249) ; C5 1593 #( 31.1091 6.8691 47.4156) ; C6 1594 rC 1595 #( 30.8109 3.4584 46.3336) ; N4 1596 #( 27.6171 6.5989 47.3189) ; O2 1597 #( 31.7923 3.2301 46.2638) ; H41 1598 #( 30.0880 2.7857 46.1215) ; H42 1599 #( 32.5542 5.3634 46.9395) ; H5 1600 #( 31.8523 7.6279 47.6603) ; H6 1601 )) 1602 1603(define rC08 1604 (nuc-const 1605 #( 0.0797 -0.6026 -0.7941 ; dgf-base-tfo 1606 0.7939 0.5201 -0.3150 1607 0.6028 -0.6054 0.5198 1608 -36.8341 41.5293 1.6628) 1609 #( 0.9187 0.2887 0.2694 ; P-O3*-275-tfo 1610 0.0302 -0.7316 0.6811 1611 0.3938 -0.6176 -0.6808 1612 -48.4330 26.3254 13.6383) 1613 #( -0.1504 0.7744 -0.6145 ; P-O3*-180-tfo 1614 0.7581 0.4893 0.4311 1615 0.6345 -0.4010 -0.6607 1616 -31.9784 -13.4285 44.9650) 1617 #( -0.6236 -0.7810 -0.0337 ; P-O3*-60-tfo 1618 -0.6890 0.5694 -0.4484 1619 0.3694 -0.2564 -0.8932 1620 12.1105 30.8774 46.0946) 1621 #( 33.3400 11.0980 46.1750) ; P 1622 #( 34.5130 10.2320 46.4660) ; O1P 1623 #( 33.4130 12.3960 46.9340) ; O2P 1624 #( 31.9810 10.3390 46.4820) ; O5* 1625 #( 31.8779 9.9369 47.8760) ; C5* 1626 #( 31.3239 10.6931 48.4322) ; H5* 1627 #( 32.8647 9.6624 48.2489) ; H5** 1628 #( 31.0429 8.6773 47.9401) ; C4* 1629 #( 31.0779 8.2331 48.9349) ; H4* 1630 #( 29.6956 8.9669 47.5983) ; O4* 1631 #( 29.2784 8.1700 46.4782) ; C1* 1632 #( 28.8006 7.2731 46.8722) ; H1* 1633 #( 30.5544 7.7940 45.7875) ; C2* 1634 #( 30.8837 8.6410 45.1856) ; H2** 1635 #( 30.5100 6.6007 45.0582) ; O2* 1636 #( 29.6694 6.4168 44.6326) ; H2* 1637 #( 31.5146 7.5954 46.9527) ; C3* 1638 #( 32.5255 7.8261 46.6166) ; H3* 1639 #( 31.3876 6.2951 47.5516) ; O3* 1640 #( 28.3976 8.9302 45.5933) ; N1 1641 #( 26.2155 9.6135 44.9910) ; N3 1642 #( 27.0281 8.8961 45.8192) ; C2 1643 #( 26.7044 10.3489 43.9595) ; C4 1644 #( 28.1088 10.3837 43.7247) ; C5 1645 #( 28.8978 9.6708 44.5535) ; C6 1646 rC 1647 #( 25.8715 11.0249 43.1749) ; N4 1648 #( 26.5733 8.2371 46.7484) ; O2 1649 #( 26.2707 11.5609 42.4177) ; H41 1650 #( 24.8760 10.9939 43.3427) ; H42 1651 #( 28.5089 10.9722 42.8990) ; H5 1652 #( 29.9782 9.6687 44.4097) ; H6 1653 )) 1654 1655(define rC09 1656 (nuc-const 1657 #( 0.8727 0.4760 -0.1091 ; dgf-base-tfo 1658 -0.4188 0.6148 -0.6682 1659 -0.2510 0.6289 0.7359 1660 -8.1687 -52.0761 -25.0726) 1661 #( 0.9187 0.2887 0.2694 ; P-O3*-275-tfo 1662 0.0302 -0.7316 0.6811 1663 0.3938 -0.6176 -0.6808 1664 -48.4330 26.3254 13.6383) 1665 #( -0.1504 0.7744 -0.6145 ; P-O3*-180-tfo 1666 0.7581 0.4893 0.4311 1667 0.6345 -0.4010 -0.6607 1668 -31.9784 -13.4285 44.9650) 1669 #( -0.6236 -0.7810 -0.0337 ; P-O3*-60-tfo 1670 -0.6890 0.5694 -0.4484 1671 0.3694 -0.2564 -0.8932 1672 12.1105 30.8774 46.0946) 1673 #( 33.3400 11.0980 46.1750) ; P 1674 #( 34.5130 10.2320 46.4660) ; O1P 1675 #( 33.4130 12.3960 46.9340) ; O2P 1676 #( 31.9810 10.3390 46.4820) ; O5* 1677 #( 30.8152 11.1619 46.2003) ; C5* 1678 #( 30.4519 10.9454 45.1957) ; H5* 1679 #( 31.0379 12.2016 46.4400) ; H5** 1680 #( 29.7081 10.7448 47.1428) ; C4* 1681 #( 29.4506 9.6945 47.0059) ; H4* 1682 #( 30.1045 10.9634 48.4885) ; O4* 1683 #( 29.1794 11.8418 49.1490) ; C1* 1684 #( 28.4388 11.2210 49.6533) ; H1* 1685 #( 28.5211 12.6008 48.0367) ; C2* 1686 #( 29.1947 13.3949 47.7147) ; H2** 1687 #( 27.2316 13.0683 48.3134) ; O2* 1688 #( 27.0851 13.3391 49.2227) ; H2* 1689 #( 28.4131 11.5507 46.9391) ; C3* 1690 #( 28.4451 12.0512 45.9713) ; H3* 1691 #( 27.2707 10.6955 47.1097) ; O3* 1692 #( 29.8751 12.7405 50.0682) ; N1 1693 #( 30.7172 13.1841 52.2328) ; N3 1694 #( 30.0617 12.3404 51.3847) ; C2 1695 #( 31.1834 14.3941 51.8297) ; C4 1696 #( 30.9913 14.8074 50.4803) ; C5 1697 #( 30.3434 13.9610 49.6548) ; C6 1698 rC 1699 #( 31.8090 15.1847 52.6957) ; N4 1700 #( 29.6470 11.2494 51.7616) ; O2 1701 #( 32.1422 16.0774 52.3606) ; H41 1702 #( 31.9392 14.8893 53.6527) ; H42 1703 #( 31.3632 15.7771 50.1491) ; H5 1704 #( 30.1742 14.2374 48.6141) ; H6 1705 )) 1706 1707(define rC10 1708 (nuc-const 1709 #( 0.1549 0.8710 -0.4663 ; dgf-base-tfo 1710 0.6768 -0.4374 -0.5921 1711 -0.7197 -0.2239 -0.6572 1712 25.2447 -14.1920 50.3201) 1713 #( 0.9187 0.2887 0.2694 ; P-O3*-275-tfo 1714 0.0302 -0.7316 0.6811 1715 0.3938 -0.6176 -0.6808 1716 -48.4330 26.3254 13.6383) 1717 #( -0.1504 0.7744 -0.6145 ; P-O3*-180-tfo 1718 0.7581 0.4893 0.4311 1719 0.6345 -0.4010 -0.6607 1720 -31.9784 -13.4285 44.9650) 1721 #( -0.6236 -0.7810 -0.0337 ; P-O3*-60-tfo 1722 -0.6890 0.5694 -0.4484 1723 0.3694 -0.2564 -0.8932 1724 12.1105 30.8774 46.0946) 1725 #( 33.3400 11.0980 46.1750) ; P 1726 #( 34.5130 10.2320 46.4660) ; O1P 1727 #( 33.4130 12.3960 46.9340) ; O2P 1728 #( 31.9810 10.3390 46.4820) ; O5* 1729 #( 31.8779 9.9369 47.8760) ; C5* 1730 #( 31.3239 10.6931 48.4322) ; H5* 1731 #( 32.8647 9.6624 48.2489) ; H5** 1732 #( 31.0429 8.6773 47.9401) ; C4* 1733 #( 30.0440 8.8473 47.5383) ; H4* 1734 #( 31.6749 7.6351 47.2119) ; O4* 1735 #( 31.9159 6.5022 48.0616) ; C1* 1736 #( 31.0691 5.8243 47.9544) ; H1* 1737 #( 31.9300 7.0685 49.4493) ; C2* 1738 #( 32.9024 7.5288 49.6245) ; H2** 1739 #( 31.5672 6.1750 50.4632) ; O2* 1740 #( 31.8416 5.2663 50.3200) ; H2* 1741 #( 30.8618 8.1514 49.3749) ; C3* 1742 #( 31.1122 8.9396 50.0850) ; H3* 1743 #( 29.5351 7.6245 49.5409) ; O3* 1744 #( 33.1890 5.8629 47.7343) ; N1 1745 #( 34.4004 4.2636 46.4828) ; N3 1746 #( 33.2062 4.8497 46.7851) ; C2 1747 #( 35.5600 4.6374 47.0822) ; C4 1748 #( 35.5444 5.6751 48.0577) ; C5 1749 #( 34.3565 6.2450 48.3432) ; C6 1750 rC 1751 #( 36.6977 4.0305 46.7598) ; N4 1752 #( 32.1661 4.5034 46.2348) ; O2 1753 #( 37.5405 4.3347 47.2259) ; H41 1754 #( 36.7033 3.2923 46.0706) ; H42 1755 #( 36.4713 5.9811 48.5428) ; H5 1756 #( 34.2986 7.0426 49.0839) ; H6 1757 )) 1758 1759(define rCs 1760 (list rC01 rC02 rC03 rC04 rC05 rC06 rC07 rC08 rC09 rC10)) 1761 1762(define rG 1763 (nuc-const 1764 #( -0.0018 -0.8207 0.5714 ; dgf-base-tfo 1765 0.2679 -0.5509 -0.7904 1766 0.9634 0.1517 0.2209 1767 0.0073 8.4030 0.6232) 1768 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 1769 -0.0433 -0.4257 0.9038 1770 -0.5788 0.7480 0.3246 1771 1.5227 6.9114 -7.0765) 1772 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 1773 0.4552 0.6637 0.5935 1774 -0.8042 0.0203 0.5941 1775 -6.9472 -4.1186 -5.9108) 1776 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 1777 -0.8247 0.5587 -0.0878 1778 0.0426 0.2162 0.9754 1779 6.2694 -7.0540 3.3316) 1780 #( 2.8930 8.5380 -3.3280) ; P 1781 #( 1.6980 7.6960 -3.5570) ; O1P 1782 #( 3.2260 9.5010 -4.4020) ; O2P 1783 #( 4.1590 7.6040 -3.0340) ; O5* 1784 #( 5.4550 8.2120 -2.8810) ; C5* 1785 #( 5.4546 8.8508 -1.9978) ; H5* 1786 #( 5.7588 8.6625 -3.8259) ; H5** 1787 #( 6.4970 7.1480 -2.5980) ; C4* 1788 #( 7.4896 7.5919 -2.5214) ; H4* 1789 #( 6.1630 6.4860 -1.3440) ; O4* 1790 #( 6.5400 5.1200 -1.4190) ; C1* 1791 #( 7.2763 4.9681 -0.6297) ; H1* 1792 #( 7.1940 4.8830 -2.7770) ; C2* 1793 #( 6.8667 3.9183 -3.1647) ; H2** 1794 #( 8.5860 5.0910 -2.6140) ; O2* 1795 #( 8.9510 4.7626 -1.7890) ; H2* 1796 #( 6.5720 6.0040 -3.6090) ; C3* 1797 #( 5.5636 5.7066 -3.8966) ; H3* 1798 #( 7.3801 6.3562 -4.7350) ; O3* 1799 #( 4.7150 0.4910 -0.1360) ; N1 1800 #( 6.3490 2.1730 -0.6020) ; N3 1801 #( 5.9530 0.9650 -0.2670) ; C2 1802 #( 5.2900 2.9790 -0.8260) ; C4 1803 #( 3.9720 2.6390 -0.7330) ; C5 1804 #( 3.6770 1.3160 -0.3660) ; C6 1805 rG 1806 #( 6.8426 0.0056 -0.0019) ; N2 1807 #( 3.1660 3.7290 -1.0360) ; N7 1808 #( 5.3170 4.2990 -1.1930) ; N9 1809 #( 4.0100 4.6780 -1.2990) ; C8 1810 #( 2.4280 0.8450 -0.2360) ; O6 1811 #( 4.6151 -0.4677 0.1305) ; H1 1812 #( 6.6463 -0.9463 0.2729) ; H21 1813 #( 7.8170 0.2642 -0.0640) ; H22 1814 #( 3.4421 5.5744 -1.5482) ; H8 1815 )) 1816 1817(define rG01 1818 (nuc-const 1819 #( -0.0043 -0.8175 0.5759 ; dgf-base-tfo 1820 0.2617 -0.5567 -0.7884 1821 0.9651 0.1473 0.2164 1822 0.0359 8.3929 0.5532) 1823 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 1824 -0.0433 -0.4257 0.9038 1825 -0.5788 0.7480 0.3246 1826 1.5227 6.9114 -7.0765) 1827 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 1828 0.4552 0.6637 0.5935 1829 -0.8042 0.0203 0.5941 1830 -6.9472 -4.1186 -5.9108) 1831 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 1832 -0.8247 0.5587 -0.0878 1833 0.0426 0.2162 0.9754 1834 6.2694 -7.0540 3.3316) 1835 #( 2.8930 8.5380 -3.3280) ; P 1836 #( 1.6980 7.6960 -3.5570) ; O1P 1837 #( 3.2260 9.5010 -4.4020) ; O2P 1838 #( 4.1590 7.6040 -3.0340) ; O5* 1839 #( 5.4352 8.2183 -2.7757) ; C5* 1840 #( 5.3830 8.7883 -1.8481) ; H5* 1841 #( 5.7729 8.7436 -3.6691) ; H5** 1842 #( 6.4830 7.1518 -2.5252) ; C4* 1843 #( 7.4749 7.5972 -2.4482) ; H4* 1844 #( 6.1626 6.4620 -1.2827) ; O4* 1845 #( 6.5431 5.0992 -1.3905) ; C1* 1846 #( 7.2871 4.9328 -0.6114) ; H1* 1847 #( 7.1852 4.8935 -2.7592) ; C2* 1848 #( 6.8573 3.9363 -3.1645) ; H2** 1849 #( 8.5780 5.1025 -2.6046) ; O2* 1850 #( 8.9516 4.7577 -1.7902) ; H2* 1851 #( 6.5522 6.0300 -3.5612) ; C3* 1852 #( 5.5420 5.7356 -3.8459) ; H3* 1853 #( 7.3487 6.4089 -4.6867) ; O3* 1854 #( 4.7442 0.4514 -0.1390) ; N1 1855 #( 6.3687 2.1459 -0.5926) ; N3 1856 #( 5.9795 0.9335 -0.2657) ; C2 1857 #( 5.3052 2.9471 -0.8125) ; C4 1858 #( 3.9891 2.5987 -0.7230) ; C5 1859 #( 3.7016 1.2717 -0.3647) ; C6 1860 rG 1861 #( 6.8745 -0.0224 -0.0058) ; N2 1862 #( 3.1770 3.6859 -1.0198) ; N7 1863 #( 5.3247 4.2695 -1.1710) ; N9 1864 #( 4.0156 4.6415 -1.2759) ; C8 1865 #( 2.4553 0.7925 -0.2390) ; O6 1866 #( 4.6497 -0.5095 0.1212) ; H1 1867 #( 6.6836 -0.9771 0.2627) ; H21 1868 #( 7.8474 0.2424 -0.0653) ; H22 1869 #( 3.4426 5.5361 -1.5199) ; H8 1870 )) 1871 1872(define rG02 1873 (nuc-const 1874 #( 0.5566 0.0449 0.8296 ; dgf-base-tfo 1875 0.5125 0.7673 -0.3854 1876 -0.6538 0.6397 0.4041 1877 -9.1161 -3.7679 -2.9968) 1878 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 1879 -0.0433 -0.4257 0.9038 1880 -0.5788 0.7480 0.3246 1881 1.5227 6.9114 -7.0765) 1882 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 1883 0.4552 0.6637 0.5935 1884 -0.8042 0.0203 0.5941 1885 -6.9472 -4.1186 -5.9108) 1886 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 1887 -0.8247 0.5587 -0.0878 1888 0.0426 0.2162 0.9754 1889 6.2694 -7.0540 3.3316) 1890 #( 2.8930 8.5380 -3.3280) ; P 1891 #( 1.6980 7.6960 -3.5570) ; O1P 1892 #( 3.2260 9.5010 -4.4020) ; O2P 1893 #( 4.1590 7.6040 -3.0340) ; O5* 1894 #( 4.5778 6.6594 -4.0364) ; C5* 1895 #( 4.9220 7.1963 -4.9204) ; H5* 1896 #( 3.7996 5.9091 -4.1764) ; H5** 1897 #( 5.7873 5.8869 -3.5482) ; C4* 1898 #( 6.0405 5.0875 -4.2446) ; H4* 1899 #( 6.9135 6.8036 -3.4310) ; O4* 1900 #( 7.7293 6.4084 -2.3392) ; C1* 1901 #( 8.7078 6.1815 -2.7624) ; H1* 1902 #( 7.1305 5.1418 -1.7347) ; C2* 1903 #( 7.2040 5.1982 -0.6486) ; H2** 1904 #( 7.7417 4.0392 -2.3813) ; O2* 1905 #( 8.6785 4.1443 -2.5630) ; H2* 1906 #( 5.6666 5.2728 -2.1536) ; C3* 1907 #( 5.1747 5.9805 -1.4863) ; H3* 1908 #( 4.9997 4.0086 -2.1973) ; O3* 1909 #( 10.3245 8.5459 1.5467) ; N1 1910 #( 9.8051 6.9432 -0.1497) ; N3 1911 #( 10.5175 7.4328 0.8408) ; C2 1912 #( 8.7523 7.7422 -0.4228) ; C4 1913 #( 8.4257 8.9060 0.2099) ; C5 1914 #( 9.2665 9.3242 1.2540) ; C6 1915 rG 1916 #( 11.6077 6.7966 1.2752) ; N2 1917 #( 7.2750 9.4537 -0.3428) ; N7 1918 #( 7.7962 7.5519 -1.3859) ; N9 1919 #( 6.9479 8.6157 -1.2771) ; C8 1920 #( 9.0664 10.4462 1.9610) ; O6 1921 #( 10.9838 8.7524 2.2697) ; H1 1922 #( 12.2274 7.0896 2.0170) ; H21 1923 #( 11.8502 5.9398 0.7984) ; H22 1924 #( 6.0430 8.9853 -1.7594) ; H8 1925 )) 1926 1927(define rG03 1928 (nuc-const 1929 #( -0.5021 0.0731 0.8617 ; dgf-base-tfo 1930 -0.8112 0.3054 -0.4986 1931 -0.2996 -0.9494 -0.0940 1932 6.4273 -5.1944 -3.7807) 1933 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 1934 -0.0433 -0.4257 0.9038 1935 -0.5788 0.7480 0.3246 1936 1.5227 6.9114 -7.0765) 1937 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 1938 0.4552 0.6637 0.5935 1939 -0.8042 0.0203 0.5941 1940 -6.9472 -4.1186 -5.9108) 1941 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 1942 -0.8247 0.5587 -0.0878 1943 0.0426 0.2162 0.9754 1944 6.2694 -7.0540 3.3316) 1945 #( 2.8930 8.5380 -3.3280) ; P 1946 #( 1.6980 7.6960 -3.5570) ; O1P 1947 #( 3.2260 9.5010 -4.4020) ; O2P 1948 #( 4.1590 7.6040 -3.0340) ; O5* 1949 #( 4.1214 6.7116 -1.9049) ; C5* 1950 #( 3.3465 5.9610 -2.0607) ; H5* 1951 #( 4.0789 7.2928 -0.9837) ; H5** 1952 #( 5.4170 5.9293 -1.8186) ; C4* 1953 #( 5.4506 5.3400 -0.9023) ; H4* 1954 #( 5.5067 5.0417 -2.9703) ; O4* 1955 #( 6.8650 4.9152 -3.3612) ; C1* 1956 #( 7.1090 3.8577 -3.2603) ; H1* 1957 #( 7.7152 5.7282 -2.3894) ; C2* 1958 #( 8.5029 6.2356 -2.9463) ; H2** 1959 #( 8.1036 4.8568 -1.3419) ; O2* 1960 #( 8.3270 3.9651 -1.6184) ; H2* 1961 #( 6.7003 6.7565 -1.8911) ; C3* 1962 #( 6.5898 7.5329 -2.6482) ; H3* 1963 #( 7.0505 7.2878 -0.6105) ; O3* 1964 #( 9.6740 4.7656 -7.6614) ; N1 1965 #( 9.0739 4.3013 -5.3941) ; N3 1966 #( 9.8416 4.2192 -6.4581) ; C2 1967 #( 7.9885 5.0632 -5.6446) ; C4 1968 #( 7.6822 5.6856 -6.8194) ; C5 1969 #( 8.5831 5.5215 -7.8840) ; C6 1970 rG 1971 #( 10.9733 3.5117 -6.4286) ; N2 1972 #( 6.4857 6.3816 -6.7035) ; N7 1973 #( 6.9740 5.3703 -4.7760) ; N9 1974 #( 6.1133 6.1613 -5.4808) ; C8 1975 #( 8.4084 6.0747 -9.0933) ; O6 1976 #( 10.3759 4.5855 -8.3504) ; H1 1977 #( 11.6254 3.3761 -7.1879) ; H21 1978 #( 11.1917 3.0460 -5.5593) ; H22 1979 #( 5.1705 6.6830 -5.3167) ; H8 1980 )) 1981 1982(define rG04 1983 (nuc-const 1984 #( -0.5426 -0.8175 0.1929 ; dgf-base-tfo 1985 0.8304 -0.5567 -0.0237 1986 0.1267 0.1473 0.9809 1987 -0.5075 8.3929 0.2229) 1988 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 1989 -0.0433 -0.4257 0.9038 1990 -0.5788 0.7480 0.3246 1991 1.5227 6.9114 -7.0765) 1992 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 1993 0.4552 0.6637 0.5935 1994 -0.8042 0.0203 0.5941 1995 -6.9472 -4.1186 -5.9108) 1996 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 1997 -0.8247 0.5587 -0.0878 1998 0.0426 0.2162 0.9754 1999 6.2694 -7.0540 3.3316) 2000 #( 2.8930 8.5380 -3.3280) ; P 2001 #( 1.6980 7.6960 -3.5570) ; O1P 2002 #( 3.2260 9.5010 -4.4020) ; O2P 2003 #( 4.1590 7.6040 -3.0340) ; O5* 2004 #( 5.4352 8.2183 -2.7757) ; C5* 2005 #( 5.3830 8.7883 -1.8481) ; H5* 2006 #( 5.7729 8.7436 -3.6691) ; H5** 2007 #( 6.4830 7.1518 -2.5252) ; C4* 2008 #( 7.4749 7.5972 -2.4482) ; H4* 2009 #( 6.1626 6.4620 -1.2827) ; O4* 2010 #( 6.5431 5.0992 -1.3905) ; C1* 2011 #( 7.2871 4.9328 -0.6114) ; H1* 2012 #( 7.1852 4.8935 -2.7592) ; C2* 2013 #( 6.8573 3.9363 -3.1645) ; H2** 2014 #( 8.5780 5.1025 -2.6046) ; O2* 2015 #( 8.9516 4.7577 -1.7902) ; H2* 2016 #( 6.5522 6.0300 -3.5612) ; C3* 2017 #( 5.5420 5.7356 -3.8459) ; H3* 2018 #( 7.3487 6.4089 -4.6867) ; O3* 2019 #( 3.6343 2.6680 2.0783) ; N1 2020 #( 5.4505 3.9805 1.2446) ; N3 2021 #( 4.7540 3.3816 2.1851) ; C2 2022 #( 4.8805 3.7951 0.0354) ; C4 2023 #( 3.7416 3.0925 -0.2305) ; C5 2024 #( 3.0873 2.4980 0.8606) ; C6 2025 rG 2026 #( 5.1433 3.4373 3.4609) ; N2 2027 #( 3.4605 3.1184 -1.5906) ; N7 2028 #( 5.3247 4.2695 -1.1710) ; N9 2029 #( 4.4244 3.8244 -2.0953) ; C8 2030 #( 1.9600 1.7805 0.7462) ; O6 2031 #( 3.2489 2.2879 2.9191) ; H1 2032 #( 4.6785 3.0243 4.2568) ; H21 2033 #( 5.9823 3.9654 3.6539) ; H22 2034 #( 4.2675 3.8876 -3.1721) ; H8 2035 )) 2036 2037(define rG05 2038 (nuc-const 2039 #( -0.5891 0.0449 0.8068 ; dgf-base-tfo 2040 0.5375 0.7673 0.3498 2041 -0.6034 0.6397 -0.4762 2042 -0.3019 -3.7679 -9.5913) 2043 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 2044 -0.0433 -0.4257 0.9038 2045 -0.5788 0.7480 0.3246 2046 1.5227 6.9114 -7.0765) 2047 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 2048 0.4552 0.6637 0.5935 2049 -0.8042 0.0203 0.5941 2050 -6.9472 -4.1186 -5.9108) 2051 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 2052 -0.8247 0.5587 -0.0878 2053 0.0426 0.2162 0.9754 2054 6.2694 -7.0540 3.3316) 2055 #( 2.8930 8.5380 -3.3280) ; P 2056 #( 1.6980 7.6960 -3.5570) ; O1P 2057 #( 3.2260 9.5010 -4.4020) ; O2P 2058 #( 4.1590 7.6040 -3.0340) ; O5* 2059 #( 4.5778 6.6594 -4.0364) ; C5* 2060 #( 4.9220 7.1963 -4.9204) ; H5* 2061 #( 3.7996 5.9091 -4.1764) ; H5** 2062 #( 5.7873 5.8869 -3.5482) ; C4* 2063 #( 6.0405 5.0875 -4.2446) ; H4* 2064 #( 6.9135 6.8036 -3.4310) ; O4* 2065 #( 7.7293 6.4084 -2.3392) ; C1* 2066 #( 8.7078 6.1815 -2.7624) ; H1* 2067 #( 7.1305 5.1418 -1.7347) ; C2* 2068 #( 7.2040 5.1982 -0.6486) ; H2** 2069 #( 7.7417 4.0392 -2.3813) ; O2* 2070 #( 8.6785 4.1443 -2.5630) ; H2* 2071 #( 5.6666 5.2728 -2.1536) ; C3* 2072 #( 5.1747 5.9805 -1.4863) ; H3* 2073 #( 4.9997 4.0086 -2.1973) ; O3* 2074 #( 10.2594 10.6774 -1.0056) ; N1 2075 #( 9.7528 8.7080 -2.2631) ; N3 2076 #( 10.4471 9.7876 -1.9791) ; C2 2077 #( 8.7271 8.5575 -1.3991) ; C4 2078 #( 8.4100 9.3803 -0.3580) ; C5 2079 #( 9.2294 10.5030 -0.1574) ; C6 2080 rG 2081 #( 11.5110 10.1256 -2.7114) ; N2 2082 #( 7.2891 8.9068 0.3121) ; N7 2083 #( 7.7962 7.5519 -1.3859) ; N9 2084 #( 6.9702 7.8292 -0.3353) ; C8 2085 #( 9.0349 11.3951 0.8250) ; O6 2086 #( 10.9013 11.4422 -0.9512) ; H1 2087 #( 12.1031 10.9341 -2.5861) ; H21 2088 #( 11.7369 9.5180 -3.4859) ; H22 2089 #( 6.0888 7.3990 0.1403) ; H8 2090 )) 2091 2092(define rG06 2093 (nuc-const 2094 #( -0.9815 0.0731 -0.1772 ; dgf-base-tfo 2095 0.1912 0.3054 -0.9328 2096 -0.0141 -0.9494 -0.3137 2097 5.7506 -5.1944 4.7470) 2098 #( -0.8143 -0.5091 -0.2788 ; P-O3*-275-tfo 2099 -0.0433 -0.4257 0.9038 2100 -0.5788 0.7480 0.3246 2101 1.5227 6.9114 -7.0765) 2102 #( 0.3822 -0.7477 0.5430 ; P-O3*-180-tfo 2103 0.4552 0.6637 0.5935 2104 -0.8042 0.0203 0.5941 2105 -6.9472 -4.1186 -5.9108) 2106 #( 0.5640 0.8007 -0.2022 ; P-O3*-60-tfo 2107 -0.8247 0.5587 -0.0878 2108 0.0426 0.2162 0.9754 2109 6.2694 -7.0540 3.3316) 2110 #( 2.8930 8.5380 -3.3280) ; P 2111 #( 1.6980 7.6960 -3.5570) ; O1P 2112 #( 3.2260 9.5010 -4.4020) ; O2P 2113 #( 4.1590 7.6040 -3.0340) ; O5* 2114 #( 4.1214 6.7116 -1.9049) ; C5* 2115 #( 3.3465 5.9610 -2.0607) ; H5* 2116 #( 4.0789 7.2928 -0.9837) ; H5** 2117 #( 5.4170 5.9293 -1.8186) ; C4* 2118 #( 5.4506 5.3400 -0.9023) ; H4* 2119 #( 5.5067 5.0417 -2.9703) ; O4* 2120 #( 6.8650 4.9152 -3.3612) ; C1* 2121 #( 7.1090 3.8577 -3.2603) ; H1* 2122 #( 7.7152 5.7282 -2.3894) ; C2* 2123 #( 8.5029 6.2356 -2.9463) ; H2** 2124 #( 8.1036 4.8568 -1.3419) ; O2* 2125 #( 8.3270 3.9651 -1.6184) ; H2* 2126 #( 6.7003 6.7565 -1.8911) ; C3* 2127 #( 6.5898 7.5329 -2.6482) ; H3* 2128 #( 7.0505 7.2878 -0.6105) ; O3* 2129 #( 6.6624 3.5061 -8.2986) ; N1 2130 #( 6.5810 3.2570 -5.9221) ; N3 2131 #( 6.5151 2.8263 -7.1625) ; C2 2132 #( 6.8364 4.5817 -5.8882) ; C4 2133 #( 7.0116 5.4064 -6.9609) ; C5 2134 #( 6.9173 4.8260 -8.2361) ; C6 2135 rG 2136 #( 6.2717 1.5402 -7.4250) ; N2 2137 #( 7.2573 6.7070 -6.5394) ; N7 2138 #( 6.9740 5.3703 -4.7760) ; N9 2139 #( 7.2238 6.6275 -5.2453) ; C8 2140 #( 7.0668 5.5163 -9.3763) ; O6 2141 #( 6.5754 2.9964 -9.1545) ; H1 2142 #( 6.1908 1.1105 -8.3354) ; H21 2143 #( 6.1346 0.9352 -6.6280) ; H22 2144 #( 7.4108 7.6227 -4.8418) ; H8 2145 )) 2146 2147(define rG07 2148 (nuc-const 2149 #( 0.0894 -0.6059 0.7905 ; dgf-base-tfo 2150 -0.6810 0.5420 0.4924 2151 -0.7268 -0.5824 -0.3642 2152 34.1424 45.9610 -11.8600) 2153 #( -0.8644 -0.4956 -0.0851 ; P-O3*-275-tfo 2154 -0.0427 0.2409 -0.9696 2155 0.5010 -0.8345 -0.2294 2156 4.0167 54.5377 12.4779) 2157 #( 0.3706 -0.6167 0.6945 ; P-O3*-180-tfo 2158 -0.2867 -0.7872 -0.5460 2159 0.8834 0.0032 -0.4686 2160 -52.9020 18.6313 -0.6709) 2161 #( 0.4155 0.9025 -0.1137 ; P-O3*-60-tfo 2162 0.9040 -0.4236 -0.0582 2163 -0.1007 -0.0786 -0.9918 2164 -7.6624 -25.2080 49.5181) 2165 #( 31.3810 0.1400 47.5810) ; P 2166 #( 29.9860 0.6630 47.6290) ; O1P 2167 #( 31.7210 -0.6460 48.8090) ; O2P 2168 #( 32.4940 1.2540 47.2740) ; O5* 2169 #( 33.8709 0.7918 47.2113) ; C5* 2170 #( 34.1386 0.5870 46.1747) ; H5* 2171 #( 34.0186 -0.0095 47.9353) ; H5** 2172 #( 34.7297 1.9687 47.6685) ; C4* 2173 #( 35.7723 1.6845 47.8113) ; H4* 2174 #( 34.6455 2.9768 46.6660) ; O4* 2175 #( 34.1690 4.1829 47.2627) ; C1* 2176 #( 35.0437 4.7633 47.5560) ; H1* 2177 #( 33.4145 3.7532 48.4954) ; C2* 2178 #( 32.4340 3.3797 48.2001) ; H2** 2179 #( 33.3209 4.6953 49.5217) ; O2* 2180 #( 33.2374 5.6059 49.2295) ; H2* 2181 #( 34.2724 2.5970 48.9773) ; C3* 2182 #( 33.6373 1.8935 49.5157) ; H3* 2183 #( 35.3453 3.1884 49.7285) ; O3* 2184 #( 34.0511 7.8930 43.7791) ; N1 2185 #( 34.9937 6.3369 45.3199) ; N3 2186 #( 35.0882 7.3126 44.4200) ; C2 2187 #( 33.7190 5.9650 45.5374) ; C4 2188 #( 32.5845 6.4770 44.9458) ; C5 2189 #( 32.7430 7.5179 43.9914) ; C6 2190 rG 2191 #( 36.3030 7.7827 44.1036) ; N2 2192 #( 31.4499 5.8335 45.4368) ; N7 2193 #( 33.2760 4.9817 46.4043) ; N9 2194 #( 31.9235 4.9639 46.2934) ; C8 2195 #( 31.8602 8.1000 43.3695) ; O6 2196 #( 34.2623 8.6223 43.1283) ; H1 2197 #( 36.5188 8.5081 43.4347) ; H21 2198 #( 37.0888 7.3524 44.5699) ; H22 2199 #( 31.0815 4.4201 46.7218) ; H8 2200 )) 2201 2202(define rG08 2203 (nuc-const 2204 #( 0.2224 0.6335 0.7411 ; dgf-base-tfo 2205 -0.3644 -0.6510 0.6659 2206 0.9043 -0.4181 0.0861 2207 -47.6824 -0.5823 -31.7554) 2208 #( -0.8644 -0.4956 -0.0851 ; P-O3*-275-tfo 2209 -0.0427 0.2409 -0.9696 2210 0.5010 -0.8345 -0.2294 2211 4.0167 54.5377 12.4779) 2212 #( 0.3706 -0.6167 0.6945 ; P-O3*-180-tfo 2213 -0.2867 -0.7872 -0.5460 2214 0.8834 0.0032 -0.4686 2215 -52.9020 18.6313 -0.6709) 2216 #( 0.4155 0.9025 -0.1137 ; P-O3*-60-tfo 2217 0.9040 -0.4236 -0.0582 2218 -0.1007 -0.0786 -0.9918 2219 -7.6624 -25.2080 49.5181) 2220 #( 31.3810 0.1400 47.5810) ; P 2221 #( 29.9860 0.6630 47.6290) ; O1P 2222 #( 31.7210 -0.6460 48.8090) ; O2P 2223 #( 32.4940 1.2540 47.2740) ; O5* 2224 #( 32.5924 2.3488 48.2255) ; C5* 2225 #( 33.3674 2.1246 48.9584) ; H5* 2226 #( 31.5994 2.5917 48.6037) ; H5** 2227 #( 33.0722 3.5577 47.4258) ; C4* 2228 #( 33.0310 4.4778 48.0089) ; H4* 2229 #( 34.4173 3.3055 47.0316) ; O4* 2230 #( 34.5056 3.3910 45.6094) ; C1* 2231 #( 34.7881 4.4152 45.3663) ; H1* 2232 #( 33.1122 3.1198 45.1010) ; C2* 2233 #( 32.9230 2.0469 45.1369) ; H2** 2234 #( 32.7946 3.6590 43.8529) ; O2* 2235 #( 33.5170 3.6707 43.2207) ; H2* 2236 #( 32.2730 3.8173 46.1566) ; C3* 2237 #( 31.3094 3.3123 46.2244) ; H3* 2238 #( 32.2391 5.2039 45.7807) ; O3* 2239 #( 39.3337 2.7157 44.1441) ; N1 2240 #( 37.4430 3.8242 45.0824) ; N3 2241 #( 38.7276 3.7646 44.7403) ; C2 2242 #( 36.7791 2.6963 44.7704) ; C4 2243 #( 37.2860 1.5653 44.1678) ; C5 2244 #( 38.6647 1.5552 43.8235) ; C6 2245 rG 2246 #( 39.5123 4.8216 44.9936) ; N2 2247 #( 36.2829 0.6110 44.0078) ; N7 2248 #( 35.4394 2.4314 44.9931) ; N9 2249 #( 35.2180 1.1815 44.5128) ; C8 2250 #( 39.2907 0.6514 43.2796) ; O6 2251 #( 40.3076 2.8048 43.9352) ; H1 2252 #( 40.4994 4.9066 44.7977) ; H21 2253 #( 39.0738 5.6108 45.4464) ; H22 2254 #( 34.3856 0.4842 44.4185) ; H8 2255 )) 2256 2257(define rG09 2258 (nuc-const 2259 #( -0.9699 -0.1688 -0.1753 ; dgf-base-tfo 2260 -0.1050 -0.3598 0.9271 2261 -0.2196 0.9176 0.3312 2262 45.6217 -38.9484 -12.3208) 2263 #( -0.8644 -0.4956 -0.0851 ; P-O3*-275-tfo 2264 -0.0427 0.2409 -0.9696 2265 0.5010 -0.8345 -0.2294 2266 4.0167 54.5377 12.4779) 2267 #( 0.3706 -0.6167 0.6945 ; P-O3*-180-tfo 2268 -0.2867 -0.7872 -0.5460 2269 0.8834 0.0032 -0.4686 2270 -52.9020 18.6313 -0.6709) 2271 #( 0.4155 0.9025 -0.1137 ; P-O3*-60-tfo 2272 0.9040 -0.4236 -0.0582 2273 -0.1007 -0.0786 -0.9918 2274 -7.6624 -25.2080 49.5181) 2275 #( 31.3810 0.1400 47.5810) ; P 2276 #( 29.9860 0.6630 47.6290) ; O1P 2277 #( 31.7210 -0.6460 48.8090) ; O2P 2278 #( 32.4940 1.2540 47.2740) ; O5* 2279 #( 33.8709 0.7918 47.2113) ; C5* 2280 #( 34.1386 0.5870 46.1747) ; H5* 2281 #( 34.0186 -0.0095 47.9353) ; H5** 2282 #( 34.7297 1.9687 47.6685) ; C4* 2283 #( 34.5880 2.8482 47.0404) ; H4* 2284 #( 34.3575 2.2770 49.0081) ; O4* 2285 #( 35.5157 2.1993 49.8389) ; C1* 2286 #( 35.9424 3.2010 49.8893) ; H1* 2287 #( 36.4701 1.2820 49.1169) ; C2* 2288 #( 36.1545 0.2498 49.2683) ; H2** 2289 #( 37.8262 1.4547 49.4008) ; O2* 2290 #( 38.0227 1.6945 50.3094) ; H2* 2291 #( 36.2242 1.6797 47.6725) ; C3* 2292 #( 36.4297 0.8197 47.0351) ; H3* 2293 #( 37.0289 2.8480 47.4426) ; O3* 2294 #( 34.3005 3.5042 54.6070) ; N1 2295 #( 34.7693 3.7936 52.2874) ; N3 2296 #( 34.4484 4.2541 53.4939) ; C2 2297 #( 34.9354 2.4584 52.2785) ; C4 2298 #( 34.8092 1.5915 53.3422) ; C5 2299 #( 34.4646 2.1367 54.6085) ; C6 2300 rG 2301 #( 34.2514 5.5708 53.6503) ; N2 2302 #( 35.0641 0.2835 52.9337) ; N7 2303 #( 35.2669 1.6690 51.1915) ; N9 2304 #( 35.3288 0.3954 51.6563) ; C8 2305 #( 34.3151 1.5317 55.6650) ; O6 2306 #( 34.0623 3.9797 55.4539) ; H1 2307 #( 33.9950 6.0502 54.5016) ; H21 2308 #( 34.3512 6.1432 52.8242) ; H22 2309 #( 35.5414 -0.6006 51.2679) ; H8 2310 )) 2311 2312(define rG10 2313 (nuc-const 2314 #( -0.0980 -0.9723 0.2122 ; dgf-base-tfo 2315 -0.9731 0.1383 0.1841 2316 -0.2083 -0.1885 -0.9597 2317 17.8469 38.8265 37.0475) 2318 #( -0.8644 -0.4956 -0.0851 ; P-O3*-275-tfo 2319 -0.0427 0.2409 -0.9696 2320 0.5010 -0.8345 -0.2294 2321 4.0167 54.5377 12.4779) 2322 #( 0.3706 -0.6167 0.6945 ; P-O3*-180-tfo 2323 -0.2867 -0.7872 -0.5460 2324 0.8834 0.0032 -0.4686 2325 -52.9020 18.6313 -0.6709) 2326 #( 0.4155 0.9025 -0.1137 ; P-O3*-60-tfo 2327 0.9040 -0.4236 -0.0582 2328 -0.1007 -0.0786 -0.9918 2329 -7.6624 -25.2080 49.5181) 2330 #( 31.3810 0.1400 47.5810) ; P 2331 #( 29.9860 0.6630 47.6290) ; O1P 2332 #( 31.7210 -0.6460 48.8090) ; O2P 2333 #( 32.4940 1.2540 47.2740) ; O5* 2334 #( 32.5924 2.3488 48.2255) ; C5* 2335 #( 33.3674 2.1246 48.9584) ; H5* 2336 #( 31.5994 2.5917 48.6037) ; H5** 2337 #( 33.0722 3.5577 47.4258) ; C4* 2338 #( 34.0333 3.3761 46.9447) ; H4* 2339 #( 32.0890 3.8338 46.4332) ; O4* 2340 #( 31.6377 5.1787 46.5914) ; C1* 2341 #( 32.2499 5.8016 45.9392) ; H1* 2342 #( 31.9167 5.5319 48.0305) ; C2* 2343 #( 31.1507 5.0820 48.6621) ; H2** 2344 #( 32.0865 6.8890 48.3114) ; O2* 2345 #( 31.5363 7.4819 47.7942) ; H2* 2346 #( 33.2398 4.8224 48.2563) ; C3* 2347 #( 33.3166 4.5570 49.3108) ; H3* 2348 #( 34.2528 5.7056 47.7476) ; O3* 2349 #( 28.2782 6.3049 42.9364) ; N1 2350 #( 30.4001 5.8547 43.9258) ; N3 2351 #( 29.6195 6.1568 42.8913) ; C2 2352 #( 29.7005 5.7006 45.0649) ; C4 2353 #( 28.3383 5.8221 45.2343) ; C5 2354 #( 27.5519 6.1461 44.0958) ; C6 2355 rG 2356 #( 30.1838 6.3385 41.6890) ; N2 2357 #( 27.9936 5.5926 46.5651) ; N7 2358 #( 30.2046 5.3825 46.3136) ; N9 2359 #( 29.1371 5.3398 47.1506) ; C8 2360 #( 26.3361 6.3024 44.0495) ; O6 2361 #( 27.8122 6.5394 42.0833) ; H1 2362 #( 29.7125 6.5595 40.8235) ; H21 2363 #( 31.1859 6.2231 41.6389) ; H22 2364 #( 28.9406 5.1504 48.2059) ; H8 2365 )) 2366 2367(define rGs 2368 (list rG01 rG02 rG03 rG04 rG05 rG06 rG07 rG08 rG09 rG10)) 2369 2370(define rU 2371 (nuc-const 2372 #( -0.0359 -0.8071 0.5894 ; dgf-base-tfo 2373 -0.2669 0.5761 0.7726 2374 -0.9631 -0.1296 -0.2361 2375 0.1584 8.3434 0.5434) 2376 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2377 0.0649 0.4366 -0.8973 2378 0.5521 -0.7648 -0.3322 2379 1.6833 6.8060 -7.0011) 2380 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2381 -0.4628 -0.6450 -0.6082 2382 0.8168 -0.0436 -0.5753 2383 -6.8179 -3.9778 -5.9887) 2384 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2385 0.8103 -0.5790 0.0906 2386 -0.0255 -0.1894 -0.9816 2387 6.1203 -7.1051 3.1984) 2388 #( 2.6760 -8.4960 3.2880) ; P 2389 #( 1.4950 -7.6230 3.4770) ; O1P 2390 #( 2.9490 -9.4640 4.3740) ; O2P 2391 #( 3.9730 -7.5950 3.0340) ; O5* 2392 #( 5.2430 -8.2420 2.8260) ; C5* 2393 #( 5.1974 -8.8497 1.9223) ; H5* 2394 #( 5.5548 -8.7348 3.7469) ; H5** 2395 #( 6.3140 -7.2060 2.5510) ; C4* 2396 #( 7.2954 -7.6762 2.4898) ; H4* 2397 #( 6.0140 -6.5420 1.2890) ; O4* 2398 #( 6.4190 -5.1840 1.3620) ; C1* 2399 #( 7.1608 -5.0495 0.5747) ; H1* 2400 #( 7.0760 -4.9560 2.7270) ; C2* 2401 #( 6.7770 -3.9803 3.1099) ; H2** 2402 #( 8.4500 -5.1930 2.5810) ; O2* 2403 #( 8.8309 -4.8755 1.7590) ; H2* 2404 #( 6.4060 -6.0590 3.5580) ; C3* 2405 #( 5.4021 -5.7313 3.8281) ; H3* 2406 #( 7.1570 -6.4240 4.7070) ; O3* 2407 #( 5.2170 -4.3260 1.1690) ; N1 2408 #( 4.2960 -2.2560 0.6290) ; N3 2409 #( 5.4330 -3.0200 0.7990) ; C2 2410 #( 2.9930 -2.6780 0.7940) ; C4 2411 #( 2.8670 -4.0630 1.1830) ; C5 2412 #( 3.9570 -4.8300 1.3550) ; C6 2413 rU 2414 #( 6.5470 -2.5560 0.6290) ; O2 2415 #( 2.0540 -1.9000 0.6130) ; O4 2416 #( 4.4300 -1.3020 0.3600) ; H3 2417 #( 1.9590 -4.4570 1.3250) ; H5 2418 #( 3.8460 -5.7860 1.6240) ; H6 2419 )) 2420 2421(define rU01 2422 (nuc-const 2423 #( -0.0137 -0.8012 0.5983 ; dgf-base-tfo 2424 -0.2523 0.5817 0.7733 2425 -0.9675 -0.1404 -0.2101 2426 0.2031 8.3874 0.4228) 2427 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2428 0.0649 0.4366 -0.8973 2429 0.5521 -0.7648 -0.3322 2430 1.6833 6.8060 -7.0011) 2431 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2432 -0.4628 -0.6450 -0.6082 2433 0.8168 -0.0436 -0.5753 2434 -6.8179 -3.9778 -5.9887) 2435 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2436 0.8103 -0.5790 0.0906 2437 -0.0255 -0.1894 -0.9816 2438 6.1203 -7.1051 3.1984) 2439 #( 2.6760 -8.4960 3.2880) ; P 2440 #( 1.4950 -7.6230 3.4770) ; O1P 2441 #( 2.9490 -9.4640 4.3740) ; O2P 2442 #( 3.9730 -7.5950 3.0340) ; O5* 2443 #( 5.2416 -8.2422 2.8181) ; C5* 2444 #( 5.2050 -8.8128 1.8901) ; H5* 2445 #( 5.5368 -8.7738 3.7227) ; H5** 2446 #( 6.3232 -7.2037 2.6002) ; C4* 2447 #( 7.3048 -7.6757 2.5577) ; H4* 2448 #( 6.0635 -6.5092 1.3456) ; O4* 2449 #( 6.4697 -5.1547 1.4629) ; C1* 2450 #( 7.2354 -5.0043 0.7018) ; H1* 2451 #( 7.0856 -4.9610 2.8521) ; C2* 2452 #( 6.7777 -3.9935 3.2487) ; H2** 2453 #( 8.4627 -5.1992 2.7423) ; O2* 2454 #( 8.8693 -4.8638 1.9399) ; H2* 2455 #( 6.3877 -6.0809 3.6362) ; C3* 2456 #( 5.3770 -5.7562 3.8834) ; H3* 2457 #( 7.1024 -6.4754 4.7985) ; O3* 2458 #( 5.2764 -4.2883 1.2538) ; N1 2459 #( 4.3777 -2.2062 0.7229) ; N3 2460 #( 5.5069 -2.9779 0.9088) ; C2 2461 #( 3.0693 -2.6246 0.8500) ; C4 2462 #( 2.9279 -4.0146 1.2149) ; C5 2463 #( 4.0101 -4.7892 1.4017) ; C6 2464 rU 2465 #( 6.6267 -2.5166 0.7728) ; O2 2466 #( 2.1383 -1.8396 0.6581) ; O4 2467 #( 4.5223 -1.2489 0.4716) ; H3 2468 #( 2.0151 -4.4065 1.3290) ; H5 2469 #( 3.8886 -5.7486 1.6535) ; H6 2470 )) 2471 2472(define rU02 2473 (nuc-const 2474 #( 0.5141 0.0246 0.8574 ; dgf-base-tfo 2475 -0.5547 -0.7529 0.3542 2476 0.6542 -0.6577 -0.3734 2477 -9.1111 -3.4598 -3.2939) 2478 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2479 0.0649 0.4366 -0.8973 2480 0.5521 -0.7648 -0.3322 2481 1.6833 6.8060 -7.0011) 2482 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2483 -0.4628 -0.6450 -0.6082 2484 0.8168 -0.0436 -0.5753 2485 -6.8179 -3.9778 -5.9887) 2486 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2487 0.8103 -0.5790 0.0906 2488 -0.0255 -0.1894 -0.9816 2489 6.1203 -7.1051 3.1984) 2490 #( 2.6760 -8.4960 3.2880) ; P 2491 #( 1.4950 -7.6230 3.4770) ; O1P 2492 #( 2.9490 -9.4640 4.3740) ; O2P 2493 #( 3.9730 -7.5950 3.0340) ; O5* 2494 #( 4.3825 -6.6585 4.0489) ; C5* 2495 #( 4.6841 -7.2019 4.9443) ; H5* 2496 #( 3.6189 -5.8889 4.1625) ; H5** 2497 #( 5.6255 -5.9175 3.5998) ; C4* 2498 #( 5.8732 -5.1228 4.3034) ; H4* 2499 #( 6.7337 -6.8605 3.5222) ; O4* 2500 #( 7.5932 -6.4923 2.4548) ; C1* 2501 #( 8.5661 -6.2983 2.9064) ; H1* 2502 #( 7.0527 -5.2012 1.8322) ; C2* 2503 #( 7.1627 -5.2525 0.7490) ; H2** 2504 #( 7.6666 -4.1249 2.4880) ; O2* 2505 #( 8.5944 -4.2543 2.6981) ; H2* 2506 #( 5.5661 -5.3029 2.2009) ; C3* 2507 #( 5.0841 -6.0018 1.5172) ; H3* 2508 #( 4.9062 -4.0452 2.2042) ; O3* 2509 #( 7.6298 -7.6136 1.4752) ; N1 2510 #( 8.6945 -8.7046 -0.2857) ; N3 2511 #( 8.6943 -7.6514 0.6066) ; C2 2512 #( 7.7426 -9.6987 -0.3801) ; C4 2513 #( 6.6642 -9.5742 0.5722) ; C5 2514 #( 6.6391 -8.5592 1.4526) ; C6 2515 rU 2516 #( 9.5840 -6.8186 0.6136) ; O2 2517 #( 7.8505 -10.5925 -1.2223) ; O4 2518 #( 9.4601 -8.7514 -0.9277) ; H3 2519 #( 5.9281 -10.2509 0.5782) ; H5 2520 #( 5.8831 -8.4931 2.1028) ; H6 2521 )) 2522 2523(define rU03 2524 (nuc-const 2525 #( -0.4993 0.0476 0.8651 ; dgf-base-tfo 2526 0.8078 -0.3353 0.4847 2527 0.3132 0.9409 0.1290 2528 6.2989 -5.2303 -3.8577) 2529 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2530 0.0649 0.4366 -0.8973 2531 0.5521 -0.7648 -0.3322 2532 1.6833 6.8060 -7.0011) 2533 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2534 -0.4628 -0.6450 -0.6082 2535 0.8168 -0.0436 -0.5753 2536 -6.8179 -3.9778 -5.9887) 2537 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2538 0.8103 -0.5790 0.0906 2539 -0.0255 -0.1894 -0.9816 2540 6.1203 -7.1051 3.1984) 2541 #( 2.6760 -8.4960 3.2880) ; P 2542 #( 1.4950 -7.6230 3.4770) ; O1P 2543 #( 2.9490 -9.4640 4.3740) ; O2P 2544 #( 3.9730 -7.5950 3.0340) ; O5* 2545 #( 3.9938 -6.7042 1.9023) ; C5* 2546 #( 3.2332 -5.9343 2.0319) ; H5* 2547 #( 3.9666 -7.2863 0.9812) ; H5** 2548 #( 5.3098 -5.9546 1.8564) ; C4* 2549 #( 5.3863 -5.3702 0.9395) ; H4* 2550 #( 5.3851 -5.0642 3.0076) ; O4* 2551 #( 6.7315 -4.9724 3.4462) ; C1* 2552 #( 7.0033 -3.9202 3.3619) ; H1* 2553 #( 7.5997 -5.8018 2.4948) ; C2* 2554 #( 8.3627 -6.3254 3.0707) ; H2** 2555 #( 8.0410 -4.9501 1.4724) ; O2* 2556 #( 8.2781 -4.0644 1.7570) ; H2* 2557 #( 6.5701 -6.8129 1.9714) ; C3* 2558 #( 6.4186 -7.5809 2.7299) ; H3* 2559 #( 6.9357 -7.3841 0.7235) ; O3* 2560 #( 6.8024 -5.4718 4.8475) ; N1 2561 #( 7.9218 -5.5700 6.8877) ; N3 2562 #( 7.8908 -5.0886 5.5944) ; C2 2563 #( 6.9789 -6.3827 7.4823) ; C4 2564 #( 5.8742 -6.7319 6.6202) ; C5 2565 #( 5.8182 -6.2769 5.3570) ; C6 2566 rU 2567 #( 8.7747 -4.3728 5.1568) ; O2 2568 #( 7.1154 -6.7509 8.6509) ; O4 2569 #( 8.7055 -5.3037 7.4491) ; H3 2570 #( 5.1416 -7.3178 6.9665) ; H5 2571 #( 5.0441 -6.5310 4.7784) ; H6 2572 )) 2573 2574(define rU04 2575 (nuc-const 2576 #( -0.5669 -0.8012 0.1918 ; dgf-base-tfo 2577 -0.8129 0.5817 0.0273 2578 -0.1334 -0.1404 -0.9811 2579 -0.3279 8.3874 0.3355) 2580 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2581 0.0649 0.4366 -0.8973 2582 0.5521 -0.7648 -0.3322 2583 1.6833 6.8060 -7.0011) 2584 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2585 -0.4628 -0.6450 -0.6082 2586 0.8168 -0.0436 -0.5753 2587 -6.8179 -3.9778 -5.9887) 2588 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2589 0.8103 -0.5790 0.0906 2590 -0.0255 -0.1894 -0.9816 2591 6.1203 -7.1051 3.1984) 2592 #( 2.6760 -8.4960 3.2880) ; P 2593 #( 1.4950 -7.6230 3.4770) ; O1P 2594 #( 2.9490 -9.4640 4.3740) ; O2P 2595 #( 3.9730 -7.5950 3.0340) ; O5* 2596 #( 5.2416 -8.2422 2.8181) ; C5* 2597 #( 5.2050 -8.8128 1.8901) ; H5* 2598 #( 5.5368 -8.7738 3.7227) ; H5** 2599 #( 6.3232 -7.2037 2.6002) ; C4* 2600 #( 7.3048 -7.6757 2.5577) ; H4* 2601 #( 6.0635 -6.5092 1.3456) ; O4* 2602 #( 6.4697 -5.1547 1.4629) ; C1* 2603 #( 7.2354 -5.0043 0.7018) ; H1* 2604 #( 7.0856 -4.9610 2.8521) ; C2* 2605 #( 6.7777 -3.9935 3.2487) ; H2** 2606 #( 8.4627 -5.1992 2.7423) ; O2* 2607 #( 8.8693 -4.8638 1.9399) ; H2* 2608 #( 6.3877 -6.0809 3.6362) ; C3* 2609 #( 5.3770 -5.7562 3.8834) ; H3* 2610 #( 7.1024 -6.4754 4.7985) ; O3* 2611 #( 5.2764 -4.2883 1.2538) ; N1 2612 #( 3.8961 -3.0896 -0.1893) ; N3 2613 #( 5.0095 -3.8907 -0.0346) ; C2 2614 #( 3.0480 -2.6632 0.8116) ; C4 2615 #( 3.4093 -3.1310 2.1292) ; C5 2616 #( 4.4878 -3.9124 2.3088) ; C6 2617 rU 2618 #( 5.7005 -4.2164 -0.9842) ; O2 2619 #( 2.0800 -1.9458 0.5503) ; O4 2620 #( 3.6834 -2.7882 -1.1190) ; H3 2621 #( 2.8508 -2.8721 2.9172) ; H5 2622 #( 4.7188 -4.2247 3.2295) ; H6 2623 )) 2624 2625(define rU05 2626 (nuc-const 2627 #( -0.6298 0.0246 0.7763 ; dgf-base-tfo 2628 -0.5226 -0.7529 -0.4001 2629 0.5746 -0.6577 0.4870 2630 -0.0208 -3.4598 -9.6882) 2631 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2632 0.0649 0.4366 -0.8973 2633 0.5521 -0.7648 -0.3322 2634 1.6833 6.8060 -7.0011) 2635 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2636 -0.4628 -0.6450 -0.6082 2637 0.8168 -0.0436 -0.5753 2638 -6.8179 -3.9778 -5.9887) 2639 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2640 0.8103 -0.5790 0.0906 2641 -0.0255 -0.1894 -0.9816 2642 6.1203 -7.1051 3.1984) 2643 #( 2.6760 -8.4960 3.2880) ; P 2644 #( 1.4950 -7.6230 3.4770) ; O1P 2645 #( 2.9490 -9.4640 4.3740) ; O2P 2646 #( 3.9730 -7.5950 3.0340) ; O5* 2647 #( 4.3825 -6.6585 4.0489) ; C5* 2648 #( 4.6841 -7.2019 4.9443) ; H5* 2649 #( 3.6189 -5.8889 4.1625) ; H5** 2650 #( 5.6255 -5.9175 3.5998) ; C4* 2651 #( 5.8732 -5.1228 4.3034) ; H4* 2652 #( 6.7337 -6.8605 3.5222) ; O4* 2653 #( 7.5932 -6.4923 2.4548) ; C1* 2654 #( 8.5661 -6.2983 2.9064) ; H1* 2655 #( 7.0527 -5.2012 1.8322) ; C2* 2656 #( 7.1627 -5.2525 0.7490) ; H2** 2657 #( 7.6666 -4.1249 2.4880) ; O2* 2658 #( 8.5944 -4.2543 2.6981) ; H2* 2659 #( 5.5661 -5.3029 2.2009) ; C3* 2660 #( 5.0841 -6.0018 1.5172) ; H3* 2661 #( 4.9062 -4.0452 2.2042) ; O3* 2662 #( 7.6298 -7.6136 1.4752) ; N1 2663 #( 8.5977 -9.5977 0.7329) ; N3 2664 #( 8.5951 -8.5745 1.6594) ; C2 2665 #( 7.7372 -9.7371 -0.3364) ; C4 2666 #( 6.7596 -8.6801 -0.4476) ; C5 2667 #( 6.7338 -7.6721 0.4408) ; C6 2668 rU 2669 #( 9.3993 -8.5377 2.5743) ; O2 2670 #( 7.8374 -10.6990 -1.1008) ; O4 2671 #( 9.2924 -10.3081 0.8477) ; H3 2672 #( 6.0932 -8.6982 -1.1929) ; H5 2673 #( 6.0481 -6.9515 0.3446) ; H6 2674 )) 2675 2676(define rU06 2677 (nuc-const 2678 #( -0.9837 0.0476 -0.1733 ; dgf-base-tfo 2679 -0.1792 -0.3353 0.9249 2680 -0.0141 0.9409 0.3384 2681 5.7793 -5.2303 4.5997) 2682 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2683 0.0649 0.4366 -0.8973 2684 0.5521 -0.7648 -0.3322 2685 1.6833 6.8060 -7.0011) 2686 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 2687 -0.4628 -0.6450 -0.6082 2688 0.8168 -0.0436 -0.5753 2689 -6.8179 -3.9778 -5.9887) 2690 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 2691 0.8103 -0.5790 0.0906 2692 -0.0255 -0.1894 -0.9816 2693 6.1203 -7.1051 3.1984) 2694 #( 2.6760 -8.4960 3.2880) ; P 2695 #( 1.4950 -7.6230 3.4770) ; O1P 2696 #( 2.9490 -9.4640 4.3740) ; O2P 2697 #( 3.9730 -7.5950 3.0340) ; O5* 2698 #( 3.9938 -6.7042 1.9023) ; C5* 2699 #( 3.2332 -5.9343 2.0319) ; H5* 2700 #( 3.9666 -7.2863 0.9812) ; H5** 2701 #( 5.3098 -5.9546 1.8564) ; C4* 2702 #( 5.3863 -5.3702 0.9395) ; H4* 2703 #( 5.3851 -5.0642 3.0076) ; O4* 2704 #( 6.7315 -4.9724 3.4462) ; C1* 2705 #( 7.0033 -3.9202 3.3619) ; H1* 2706 #( 7.5997 -5.8018 2.4948) ; C2* 2707 #( 8.3627 -6.3254 3.0707) ; H2** 2708 #( 8.0410 -4.9501 1.4724) ; O2* 2709 #( 8.2781 -4.0644 1.7570) ; H2* 2710 #( 6.5701 -6.8129 1.9714) ; C3* 2711 #( 6.4186 -7.5809 2.7299) ; H3* 2712 #( 6.9357 -7.3841 0.7235) ; O3* 2713 #( 6.8024 -5.4718 4.8475) ; N1 2714 #( 6.6920 -5.0495 7.1354) ; N3 2715 #( 6.6201 -4.5500 5.8506) ; C2 2716 #( 6.9254 -6.3614 7.4926) ; C4 2717 #( 7.1046 -7.2543 6.3718) ; C5 2718 #( 7.0391 -6.7951 5.1106) ; C6 2719 rU 2720 #( 6.4083 -3.3696 5.6340) ; O2 2721 #( 6.9679 -6.6901 8.6800) ; O4 2722 #( 6.5626 -4.3957 7.8812) ; H3 2723 #( 7.2781 -8.2254 6.5350) ; H5 2724 #( 7.1657 -7.4312 4.3503) ; H6 2725 )) 2726 2727(define rU07 2728 (nuc-const 2729 #( -0.9434 0.3172 0.0971 ; dgf-base-tfo 2730 0.2294 0.4125 0.8816 2731 0.2396 0.8539 -0.4619 2732 8.3625 -52.7147 1.3745) 2733 #( 0.2765 -0.1121 -0.9545 ; P-O3*-275-tfo 2734 -0.8297 0.4733 -0.2959 2735 0.4850 0.8737 0.0379 2736 -14.7774 -45.2464 21.9088) 2737 #( 0.1063 -0.6334 -0.7665 ; P-O3*-180-tfo 2738 -0.5932 -0.6591 0.4624 2739 -0.7980 0.4055 -0.4458 2740 43.7634 4.3296 28.4890) 2741 #( 0.7136 -0.5032 -0.4873 ; P-O3*-60-tfo 2742 0.6803 0.3317 0.6536 2743 -0.1673 -0.7979 0.5791 2744 -17.1858 41.4390 -27.0751) 2745 #( 21.3880 15.0780 45.5770) ; P 2746 #( 21.9980 14.5500 46.8210) ; O1P 2747 #( 21.1450 14.0270 44.5420) ; O2P 2748 #( 22.1250 16.3600 44.9460) ; O5* 2749 #( 21.5037 16.8594 43.7323) ; C5* 2750 #( 20.8147 17.6663 43.9823) ; H5* 2751 #( 21.1086 16.0230 43.1557) ; H5** 2752 #( 22.5654 17.4874 42.8616) ; C4* 2753 #( 22.1584 17.7243 41.8785) ; H4* 2754 #( 23.0557 18.6826 43.4751) ; O4* 2755 #( 24.4788 18.6151 43.6455) ; C1* 2756 #( 24.9355 19.0840 42.7739) ; H1* 2757 #( 24.7958 17.1427 43.6474) ; C2* 2758 #( 24.5652 16.7400 44.6336) ; H2** 2759 #( 26.1041 16.8773 43.2455) ; O2* 2760 #( 26.7516 17.5328 43.5149) ; H2* 2761 #( 23.8109 16.5979 42.6377) ; C3* 2762 #( 23.5756 15.5686 42.9084) ; H3* 2763 #( 24.2890 16.7447 41.2729) ; O3* 2764 #( 24.9420 19.2174 44.8923) ; N1 2765 #( 25.2655 20.5636 44.8883) ; N3 2766 #( 25.1663 21.2219 43.8561) ; C2 2767 #( 25.6911 21.1219 46.0494) ; C4 2768 #( 25.8051 20.4068 47.2048) ; C5 2769 #( 26.2093 20.9962 48.2534) ; C6 2770 rU 2771 #( 25.4692 19.0221 47.2053) ; O2 2772 #( 25.0502 18.4827 46.0370) ; O4 2773 #( 25.9599 22.1772 46.0966) ; H3 2774 #( 25.5545 18.4409 48.1234) ; H5 2775 #( 24.7854 17.4265 45.9883) ; H6 2776 )) 2777 2778(define rU08 2779 (nuc-const 2780 #( -0.0080 -0.7928 0.6094 ; dgf-base-tfo 2781 -0.7512 0.4071 0.5197 2782 -0.6601 -0.4536 -0.5988 2783 44.1482 30.7036 2.1088) 2784 #( 0.2765 -0.1121 -0.9545 ; P-O3*-275-tfo 2785 -0.8297 0.4733 -0.2959 2786 0.4850 0.8737 0.0379 2787 -14.7774 -45.2464 21.9088) 2788 #( 0.1063 -0.6334 -0.7665 ; P-O3*-180-tfo 2789 -0.5932 -0.6591 0.4624 2790 -0.7980 0.4055 -0.4458 2791 43.7634 4.3296 28.4890) 2792 #( 0.7136 -0.5032 -0.4873 ; P-O3*-60-tfo 2793 0.6803 0.3317 0.6536 2794 -0.1673 -0.7979 0.5791 2795 -17.1858 41.4390 -27.0751) 2796 #( 21.3880 15.0780 45.5770) ; P 2797 #( 21.9980 14.5500 46.8210) ; O1P 2798 #( 21.1450 14.0270 44.5420) ; O2P 2799 #( 22.1250 16.3600 44.9460) ; O5* 2800 #( 23.5096 16.1227 44.5783) ; C5* 2801 #( 23.5649 15.8588 43.5222) ; H5* 2802 #( 23.9621 15.4341 45.2919) ; H5** 2803 #( 24.2805 17.4138 44.7151) ; C4* 2804 #( 25.3492 17.2309 44.6030) ; H4* 2805 #( 23.8497 18.3471 43.7208) ; O4* 2806 #( 23.4090 19.5681 44.3321) ; C1* 2807 #( 24.2595 20.2496 44.3524) ; H1* 2808 #( 23.0418 19.1813 45.7407) ; C2* 2809 #( 22.0532 18.7224 45.7273) ; H2** 2810 #( 23.1307 20.2521 46.6291) ; O2* 2811 #( 22.8888 21.1051 46.2611) ; H2* 2812 #( 24.0799 18.1326 46.0700) ; C3* 2813 #( 23.6490 17.4370 46.7900) ; H3* 2814 #( 25.3329 18.7227 46.5109) ; O3* 2815 #( 22.2515 20.1624 43.6698) ; N1 2816 #( 22.4760 21.0609 42.6406) ; N3 2817 #( 23.6229 21.3462 42.3061) ; C2 2818 #( 21.3986 21.6081 42.0236) ; C4 2819 #( 20.1189 21.3012 42.3804) ; C5 2820 #( 19.1599 21.8516 41.7578) ; C6 2821 rU 2822 #( 19.8919 20.3745 43.4387) ; O2 2823 #( 20.9790 19.8423 44.0440) ; O4 2824 #( 21.5235 22.3222 41.2097) ; H3 2825 #( 18.8732 20.1200 43.7312) ; H5 2826 #( 20.8545 19.1313 44.8608) ; H6 2827 )) 2828 2829(define rU09 2830 (nuc-const 2831 #( -0.0317 0.1374 0.9900 ; dgf-base-tfo 2832 -0.3422 -0.9321 0.1184 2833 0.9391 -0.3351 0.0765 2834 -32.1929 25.8198 -28.5088) 2835 #( 0.2765 -0.1121 -0.9545 ; P-O3*-275-tfo 2836 -0.8297 0.4733 -0.2959 2837 0.4850 0.8737 0.0379 2838 -14.7774 -45.2464 21.9088) 2839 #( 0.1063 -0.6334 -0.7665 ; P-O3*-180-tfo 2840 -0.5932 -0.6591 0.4624 2841 -0.7980 0.4055 -0.4458 2842 43.7634 4.3296 28.4890) 2843 #( 0.7136 -0.5032 -0.4873 ; P-O3*-60-tfo 2844 0.6803 0.3317 0.6536 2845 -0.1673 -0.7979 0.5791 2846 -17.1858 41.4390 -27.0751) 2847 #( 21.3880 15.0780 45.5770) ; P 2848 #( 21.9980 14.5500 46.8210) ; O1P 2849 #( 21.1450 14.0270 44.5420) ; O2P 2850 #( 22.1250 16.3600 44.9460) ; O5* 2851 #( 21.5037 16.8594 43.7323) ; C5* 2852 #( 20.8147 17.6663 43.9823) ; H5* 2853 #( 21.1086 16.0230 43.1557) ; H5** 2854 #( 22.5654 17.4874 42.8616) ; C4* 2855 #( 23.0565 18.3036 43.3915) ; H4* 2856 #( 23.5375 16.5054 42.4925) ; O4* 2857 #( 23.6574 16.4257 41.0649) ; C1* 2858 #( 24.4701 17.0882 40.7671) ; H1* 2859 #( 22.3525 16.9643 40.5396) ; C2* 2860 #( 21.5993 16.1799 40.6133) ; H2** 2861 #( 22.4693 17.4849 39.2515) ; O2* 2862 #( 23.0899 17.0235 38.6827) ; H2* 2863 #( 22.0341 18.0633 41.5279) ; C3* 2864 #( 20.9509 18.1709 41.5846) ; H3* 2865 #( 22.7249 19.3020 41.2100) ; O3* 2866 #( 23.8580 15.0648 40.5757) ; N1 2867 #( 25.1556 14.5982 40.4523) ; N3 2868 #( 26.1047 15.3210 40.7448) ; C2 2869 #( 25.3391 13.3315 40.0020) ; C4 2870 #( 24.2974 12.5148 39.6749) ; C5 2871 #( 24.5450 11.3410 39.2610) ; C6 2872 rU 2873 #( 22.9633 12.9979 39.8053) ; O2 2874 #( 22.8009 14.2648 40.2524) ; O4 2875 #( 26.3414 12.9194 39.8855) ; H3 2876 #( 22.1227 12.3533 39.5486) ; H5 2877 #( 21.7989 14.6788 40.3650) ; H6 2878 )) 2879 2880(define rU10 2881 (nuc-const 2882 #( -0.9674 0.1021 -0.2318 ; dgf-base-tfo 2883 -0.2514 -0.2766 0.9275 2884 0.0306 0.9555 0.2933 2885 27.8571 -42.1305 -24.4563) 2886 #( 0.2765 -0.1121 -0.9545 ; P-O3*-275-tfo 2887 -0.8297 0.4733 -0.2959 2888 0.4850 0.8737 0.0379 2889 -14.7774 -45.2464 21.9088) 2890 #( 0.1063 -0.6334 -0.7665 ; P-O3*-180-tfo 2891 -0.5932 -0.6591 0.4624 2892 -0.7980 0.4055 -0.4458 2893 43.7634 4.3296 28.4890) 2894 #( 0.7136 -0.5032 -0.4873 ; P-O3*-60-tfo 2895 0.6803 0.3317 0.6536 2896 -0.1673 -0.7979 0.5791 2897 -17.1858 41.4390 -27.0751) 2898 #( 21.3880 15.0780 45.5770) ; P 2899 #( 21.9980 14.5500 46.8210) ; O1P 2900 #( 21.1450 14.0270 44.5420) ; O2P 2901 #( 22.1250 16.3600 44.9460) ; O5* 2902 #( 23.5096 16.1227 44.5783) ; C5* 2903 #( 23.5649 15.8588 43.5222) ; H5* 2904 #( 23.9621 15.4341 45.2919) ; H5** 2905 #( 24.2805 17.4138 44.7151) ; C4* 2906 #( 23.8509 18.1819 44.0720) ; H4* 2907 #( 24.2506 17.8583 46.0741) ; O4* 2908 #( 25.5830 18.0320 46.5775) ; C1* 2909 #( 25.8569 19.0761 46.4256) ; H1* 2910 #( 26.4410 17.1555 45.7033) ; C2* 2911 #( 26.3459 16.1253 46.0462) ; H2** 2912 #( 27.7649 17.5888 45.6478) ; O2* 2913 #( 28.1004 17.9719 46.4616) ; H2* 2914 #( 25.7796 17.2997 44.3513) ; C3* 2915 #( 25.9478 16.3824 43.7871) ; H3* 2916 #( 26.2154 18.4984 43.6541) ; O3* 2917 #( 25.7321 17.6281 47.9726) ; N1 2918 #( 25.5136 18.5779 48.9560) ; N3 2919 #( 25.2079 19.7276 48.6503) ; C2 2920 #( 25.6482 18.1987 50.2518) ; C4 2921 #( 25.9847 16.9266 50.6092) ; C5 2922 #( 26.0918 16.6439 51.8416) ; C6 2923 rU 2924 #( 26.2067 15.9515 49.5943) ; O2 2925 #( 26.0713 16.3497 48.3080) ; O4 2926 #( 25.4890 18.9105 51.0618) ; H3 2927 #( 26.4742 14.9310 49.8682) ; H5 2928 #( 26.2346 15.6394 47.4975) ; H6 2929 )) 2930 2931(define rUs 2932 (list rU01 rU02 rU03 rU04 rU05 rU06 rU07 rU08 rU09 rU10)) 2933 2934(define rG* 2935 (nuc-const 2936 #( -0.2067 -0.0264 0.9780 ; dgf-base-tfo 2937 0.9770 -0.0586 0.2049 2938 0.0519 0.9979 0.0379 2939 1.0331 -46.8078 -36.4742) 2940 #( -0.8644 -0.4956 -0.0851 ; P-O3*-275-tfo 2941 -0.0427 0.2409 -0.9696 2942 0.5010 -0.8345 -0.2294 2943 4.0167 54.5377 12.4779) 2944 #( 0.3706 -0.6167 0.6945 ; P-O3*-180-tfo 2945 -0.2867 -0.7872 -0.5460 2946 0.8834 0.0032 -0.4686 2947 -52.9020 18.6313 -0.6709) 2948 #( 0.4155 0.9025 -0.1137 ; P-O3*-60-tfo 2949 0.9040 -0.4236 -0.0582 2950 -0.1007 -0.0786 -0.9918 2951 -7.6624 -25.2080 49.5181) 2952 #( 31.3810 0.1400 47.5810) ; P 2953 #( 29.9860 0.6630 47.6290) ; O1P 2954 #( 31.7210 -0.6460 48.8090) ; O2P 2955 #( 32.4940 1.2540 47.2740) ; O5* 2956 #( 32.1610 2.2370 46.2560) ; C5* 2957 #( 31.2986 2.8190 46.5812) ; H5* 2958 #( 32.0980 1.7468 45.2845) ; H5** 2959 #( 33.3476 3.1959 46.1947) ; C4* 2960 #( 33.2668 3.8958 45.3630) ; H4* 2961 #( 33.3799 3.9183 47.4216) ; O4* 2962 #( 34.6515 3.7222 48.0398) ; C1* 2963 #( 35.2947 4.5412 47.7180) ; H1* 2964 #( 35.1756 2.4228 47.4827) ; C2* 2965 #( 34.6778 1.5937 47.9856) ; H2** 2966 #( 36.5631 2.2672 47.4798) ; O2* 2967 #( 37.0163 2.6579 48.2305) ; H2* 2968 #( 34.6953 2.5043 46.0448) ; C3* 2969 #( 34.5444 1.4917 45.6706) ; H3* 2970 #( 35.6679 3.3009 45.3487) ; O3* 2971 #( 37.4804 4.0914 52.2559) ; N1 2972 #( 36.9670 4.1312 49.9281) ; N3 2973 #( 37.8045 4.2519 50.9550) ; C2 2974 #( 35.7171 3.8264 50.3222) ; C4 2975 #( 35.2668 3.6420 51.6115) ; C5 2976 #( 36.2037 3.7829 52.6706) ; C6 2977 rG 2978 #( 39.0869 4.5552 50.7092) ; N2 2979 #( 33.9075 3.3338 51.6102) ; N7 2980 #( 34.6126 3.6358 49.5108) ; N9 2981 #( 33.5805 3.3442 50.3425) ; C8 2982 #( 35.9958 3.6512 53.8724) ; O6 2983 #( 38.2106 4.2053 52.9295) ; H1 2984 #( 39.8218 4.6863 51.3896) ; H21 2985 #( 39.3420 4.6857 49.7407) ; H22 2986 #( 32.5194 3.1070 50.2664) ; H8 2987 )) 2988 2989(define rU* 2990 (nuc-const 2991 #( -0.0109 0.5907 0.8068 ; dgf-base-tfo 2992 0.2217 -0.7853 0.5780 2993 0.9751 0.1852 -0.1224 2994 -1.4225 -11.0956 -2.5217) 2995 #( -0.8313 -0.4738 -0.2906 ; P-O3*-275-tfo 2996 0.0649 0.4366 -0.8973 2997 0.5521 -0.7648 -0.3322 2998 1.6833 6.8060 -7.0011) 2999 #( 0.3445 -0.7630 0.5470 ; P-O3*-180-tfo 3000 -0.4628 -0.6450 -0.6082 3001 0.8168 -0.0436 -0.5753 3002 -6.8179 -3.9778 -5.9887) 3003 #( 0.5855 0.7931 -0.1682 ; P-O3*-60-tfo 3004 0.8103 -0.5790 0.0906 3005 -0.0255 -0.1894 -0.9816 3006 6.1203 -7.1051 3.1984) 3007 #( 2.6760 -8.4960 3.2880) ; P 3008 #( 1.4950 -7.6230 3.4770) ; O1P 3009 #( 2.9490 -9.4640 4.3740) ; O2P 3010 #( 3.9730 -7.5950 3.0340) ; O5* 3011 #( 5.2430 -8.2420 2.8260) ; C5* 3012 #( 5.1974 -8.8497 1.9223) ; H5* 3013 #( 5.5548 -8.7348 3.7469) ; H5** 3014 #( 6.3140 -7.2060 2.5510) ; C4* 3015 #( 5.8744 -6.2116 2.4731) ; H4* 3016 #( 7.2798 -7.2260 3.6420) ; O4* 3017 #( 8.5733 -6.9410 3.1329) ; C1* 3018 #( 8.9047 -6.0374 3.6446) ; H1* 3019 #( 8.4429 -6.6596 1.6327) ; C2* 3020 #( 9.2880 -7.1071 1.1096) ; H2** 3021 #( 8.2502 -5.2799 1.4754) ; O2* 3022 #( 8.7676 -4.7284 2.0667) ; H2* 3023 #( 7.1642 -7.4416 1.3021) ; C3* 3024 #( 7.4125 -8.5002 1.2260) ; H3* 3025 #( 6.5160 -6.9772 0.1267) ; O3* 3026 #( 9.4531 -8.1107 3.4087) ; N1 3027 #( 11.5931 -9.0015 3.6357) ; N3 3028 #( 10.8101 -7.8950 3.3748) ; C2 3029 #( 11.1439 -10.2744 3.9206) ; C4 3030 #( 9.7056 -10.4026 3.9332) ; C5 3031 #( 8.9192 -9.3419 3.6833) ; C6 3032 rU 3033 #( 11.3013 -6.8063 3.1326) ; O2 3034 #( 11.9431 -11.1876 4.1375) ; O4 3035 #( 12.5840 -8.8673 3.6158) ; H3 3036 #( 9.2891 -11.2898 4.1313) ; H5 3037 #( 7.9263 -9.4537 3.6977) ; H6 3038 )) 3039 3040 3041 3042; -- PARTIAL INSTANTIATIONS --------------------------------------------------- 3043 3044(define (make-var id tfo nuc) 3045 (vector id tfo nuc)) 3046 3047(define (var-id var) (vector-ref var 0)) 3048(define (var-id-set! var val) (vector-set! var 0 val)) 3049(define (var-tfo var) (vector-ref var 1)) 3050(define (var-tfo-set! var val) (vector-set! var 1 val)) 3051(define (var-nuc var) (vector-ref var 2)) 3052(define (var-nuc-set! var val) (vector-set! var 2 val)) 3053 3054(define (atom-pos atom var) 3055 (tfo-apply (var-tfo var) (atom (var-nuc var)))) 3056 3057(define (get-var id lst) 3058 (let ((v (car lst))) 3059 (if (= id (var-id v)) 3060 v 3061 (get-var id (cdr lst))))) 3062 3063(define (make-relative-nuc tfo n) 3064 (cond ((rA? n) 3065 (make-rA 3066 (nuc-dgf-base-tfo n) 3067 (nuc-P-O3*-275-tfo n) 3068 (nuc-P-O3*-180-tfo n) 3069 (nuc-P-O3*-60-tfo n) 3070 (tfo-apply tfo (nuc-P n)) 3071 (tfo-apply tfo (nuc-O1P n)) 3072 (tfo-apply tfo (nuc-O2P n)) 3073 (tfo-apply tfo (nuc-O5* n)) 3074 (tfo-apply tfo (nuc-C5* n)) 3075 (tfo-apply tfo (nuc-H5* n)) 3076 (tfo-apply tfo (nuc-H5** n)) 3077 (tfo-apply tfo (nuc-C4* n)) 3078 (tfo-apply tfo (nuc-H4* n)) 3079 (tfo-apply tfo (nuc-O4* n)) 3080 (tfo-apply tfo (nuc-C1* n)) 3081 (tfo-apply tfo (nuc-H1* n)) 3082 (tfo-apply tfo (nuc-C2* n)) 3083 (tfo-apply tfo (nuc-H2** n)) 3084 (tfo-apply tfo (nuc-O2* n)) 3085 (tfo-apply tfo (nuc-H2* n)) 3086 (tfo-apply tfo (nuc-C3* n)) 3087 (tfo-apply tfo (nuc-H3* n)) 3088 (tfo-apply tfo (nuc-O3* n)) 3089 (tfo-apply tfo (nuc-N1 n)) 3090 (tfo-apply tfo (nuc-N3 n)) 3091 (tfo-apply tfo (nuc-C2 n)) 3092 (tfo-apply tfo (nuc-C4 n)) 3093 (tfo-apply tfo (nuc-C5 n)) 3094 (tfo-apply tfo (nuc-C6 n)) 3095 (tfo-apply tfo (rA-N6 n)) 3096 (tfo-apply tfo (rA-N7 n)) 3097 (tfo-apply tfo (rA-N9 n)) 3098 (tfo-apply tfo (rA-C8 n)) 3099 (tfo-apply tfo (rA-H2 n)) 3100 (tfo-apply tfo (rA-H61 n)) 3101 (tfo-apply tfo (rA-H62 n)) 3102 (tfo-apply tfo (rA-H8 n)))) 3103 ((rC? n) 3104 (make-rC 3105 (nuc-dgf-base-tfo n) 3106 (nuc-P-O3*-275-tfo n) 3107 (nuc-P-O3*-180-tfo n) 3108 (nuc-P-O3*-60-tfo n) 3109 (tfo-apply tfo (nuc-P n)) 3110 (tfo-apply tfo (nuc-O1P n)) 3111 (tfo-apply tfo (nuc-O2P n)) 3112 (tfo-apply tfo (nuc-O5* n)) 3113 (tfo-apply tfo (nuc-C5* n)) 3114 (tfo-apply tfo (nuc-H5* n)) 3115 (tfo-apply tfo (nuc-H5** n)) 3116 (tfo-apply tfo (nuc-C4* n)) 3117 (tfo-apply tfo (nuc-H4* n)) 3118 (tfo-apply tfo (nuc-O4* n)) 3119 (tfo-apply tfo (nuc-C1* n)) 3120 (tfo-apply tfo (nuc-H1* n)) 3121 (tfo-apply tfo (nuc-C2* n)) 3122 (tfo-apply tfo (nuc-H2** n)) 3123 (tfo-apply tfo (nuc-O2* n)) 3124 (tfo-apply tfo (nuc-H2* n)) 3125 (tfo-apply tfo (nuc-C3* n)) 3126 (tfo-apply tfo (nuc-H3* n)) 3127 (tfo-apply tfo (nuc-O3* n)) 3128 (tfo-apply tfo (nuc-N1 n)) 3129 (tfo-apply tfo (nuc-N3 n)) 3130 (tfo-apply tfo (nuc-C2 n)) 3131 (tfo-apply tfo (nuc-C4 n)) 3132 (tfo-apply tfo (nuc-C5 n)) 3133 (tfo-apply tfo (nuc-C6 n)) 3134 (tfo-apply tfo (rC-N4 n)) 3135 (tfo-apply tfo (rC-O2 n)) 3136 (tfo-apply tfo (rC-H41 n)) 3137 (tfo-apply tfo (rC-H42 n)) 3138 (tfo-apply tfo (rC-H5 n)) 3139 (tfo-apply tfo (rC-H6 n)))) 3140 ((rG? n) 3141 (make-rG 3142 (nuc-dgf-base-tfo n) 3143 (nuc-P-O3*-275-tfo n) 3144 (nuc-P-O3*-180-tfo n) 3145 (nuc-P-O3*-60-tfo n) 3146 (tfo-apply tfo (nuc-P n)) 3147 (tfo-apply tfo (nuc-O1P n)) 3148 (tfo-apply tfo (nuc-O2P n)) 3149 (tfo-apply tfo (nuc-O5* n)) 3150 (tfo-apply tfo (nuc-C5* n)) 3151 (tfo-apply tfo (nuc-H5* n)) 3152 (tfo-apply tfo (nuc-H5** n)) 3153 (tfo-apply tfo (nuc-C4* n)) 3154 (tfo-apply tfo (nuc-H4* n)) 3155 (tfo-apply tfo (nuc-O4* n)) 3156 (tfo-apply tfo (nuc-C1* n)) 3157 (tfo-apply tfo (nuc-H1* n)) 3158 (tfo-apply tfo (nuc-C2* n)) 3159 (tfo-apply tfo (nuc-H2** n)) 3160 (tfo-apply tfo (nuc-O2* n)) 3161 (tfo-apply tfo (nuc-H2* n)) 3162 (tfo-apply tfo (nuc-C3* n)) 3163 (tfo-apply tfo (nuc-H3* n)) 3164 (tfo-apply tfo (nuc-O3* n)) 3165 (tfo-apply tfo (nuc-N1 n)) 3166 (tfo-apply tfo (nuc-N3 n)) 3167 (tfo-apply tfo (nuc-C2 n)) 3168 (tfo-apply tfo (nuc-C4 n)) 3169 (tfo-apply tfo (nuc-C5 n)) 3170 (tfo-apply tfo (nuc-C6 n)) 3171 (tfo-apply tfo (rG-N2 n)) 3172 (tfo-apply tfo (rG-N7 n)) 3173 (tfo-apply tfo (rG-N9 n)) 3174 (tfo-apply tfo (rG-C8 n)) 3175 (tfo-apply tfo (rG-O6 n)) 3176 (tfo-apply tfo (rG-H1 n)) 3177 (tfo-apply tfo (rG-H21 n)) 3178 (tfo-apply tfo (rG-H22 n)) 3179 (tfo-apply tfo (rG-H8 n)))) 3180 (else 3181 (make-rU 3182 (nuc-dgf-base-tfo n) 3183 (nuc-P-O3*-275-tfo n) 3184 (nuc-P-O3*-180-tfo n) 3185 (nuc-P-O3*-60-tfo n) 3186 (tfo-apply tfo (nuc-P n)) 3187 (tfo-apply tfo (nuc-O1P n)) 3188 (tfo-apply tfo (nuc-O2P n)) 3189 (tfo-apply tfo (nuc-O5* n)) 3190 (tfo-apply tfo (nuc-C5* n)) 3191 (tfo-apply tfo (nuc-H5* n)) 3192 (tfo-apply tfo (nuc-H5** n)) 3193 (tfo-apply tfo (nuc-C4* n)) 3194 (tfo-apply tfo (nuc-H4* n)) 3195 (tfo-apply tfo (nuc-O4* n)) 3196 (tfo-apply tfo (nuc-C1* n)) 3197 (tfo-apply tfo (nuc-H1* n)) 3198 (tfo-apply tfo (nuc-C2* n)) 3199 (tfo-apply tfo (nuc-H2** n)) 3200 (tfo-apply tfo (nuc-O2* n)) 3201 (tfo-apply tfo (nuc-H2* n)) 3202 (tfo-apply tfo (nuc-C3* n)) 3203 (tfo-apply tfo (nuc-H3* n)) 3204 (tfo-apply tfo (nuc-O3* n)) 3205 (tfo-apply tfo (nuc-N1 n)) 3206 (tfo-apply tfo (nuc-N3 n)) 3207 (tfo-apply tfo (nuc-C2 n)) 3208 (tfo-apply tfo (nuc-C4 n)) 3209 (tfo-apply tfo (nuc-C5 n)) 3210 (tfo-apply tfo (nuc-C6 n)) 3211 (tfo-apply tfo (rU-O2 n)) 3212 (tfo-apply tfo (rU-O4 n)) 3213 (tfo-apply tfo (rU-H3 n)) 3214 (tfo-apply tfo (rU-H5 n)) 3215 (tfo-apply tfo (rU-H6 n)))))) 3216 3217; -- SEARCH ------------------------------------------------------------------- 3218 3219; Sequential backtracking algorithm 3220 3221(define (search partial-inst domains constraint?) 3222 (if (null? domains) 3223 (list partial-inst) 3224 (let ((remaining-domains (cdr domains))) 3225 3226 (define (try-assignments lst) 3227 (if (null? lst) 3228 '() 3229 (let ((var (car lst))) 3230 (if (constraint? var partial-inst) 3231 (let* ((subsols1 3232 (search 3233 (cons var partial-inst) 3234 remaining-domains 3235 constraint?)) 3236 (subsols2 3237 (try-assignments (cdr lst)))) 3238 (append subsols1 subsols2)) 3239 (try-assignments (cdr lst)))))) 3240 3241 (try-assignments ((car domains) partial-inst))))) 3242 3243; -- DOMAINS ------------------------------------------------------------------ 3244 3245; Primary structure: strand A CUGCCACGUCUG, strand B CAGACGUGGCAG 3246; 3247; Secondary structure: strand A CUGCCACGUCUG 3248; |||||||||||| 3249; GACGGUGCAGAC strand B 3250; 3251; Tertiary structure: 3252; 3253; 5' end of strand A C1----G12 3' end of strand B 3254; U2-------A11 3255; G3-------C10 3256; C4-----G9 3257; C5---G8 3258; A6 3259; G6-C7 3260; C5----G8 3261; A4-------U9 3262; G3--------C10 3263; A2-------U11 3264; 5' end of strand B C1----G12 3' end of strand A 3265; 3266; "helix", "stacked" and "connected" describe the spatial relationship 3267; between two consecutive nucleotides. E.g. the nucleotides C1 and U2 3268; from the strand A. 3269; 3270; "wc" (stands for Watson-Crick and is a type of base-pairing), 3271; and "wc-dumas" describe the spatial relationship between 3272; nucleotides from two chains that are growing in opposite directions. 3273; E.g. the nucleotides C1 from strand A and G12 from strand B. 3274 3275; Dynamic Domains 3276 3277; Given, 3278; "ref" a nucleotide which is already positioned, 3279; "nuc" the nucleotide to be placed, 3280; and "tfo" a transformation matrix which expresses the desired 3281; relationship between "ref" and "nuc", 3282; the function "dgf-base" computes the transformation matrix that 3283; places the nucleotide "nuc" in the given relationship to "ref". 3284 3285(define (dgf-base tfo ref nuc) 3286 (let* ((ref-nuc (var-nuc ref)) 3287 (align 3288 (tfo-inv-ortho 3289 (cond ((rA? ref-nuc) 3290 (tfo-align (atom-pos nuc-C1* ref) 3291 (atom-pos rA-N9 ref) 3292 (atom-pos nuc-C4 ref))) 3293 ((rC? ref-nuc) 3294 (tfo-align (atom-pos nuc-C1* ref) 3295 (atom-pos nuc-N1 ref) 3296 (atom-pos nuc-C2 ref))) 3297 ((rG? ref-nuc) 3298 (tfo-align (atom-pos nuc-C1* ref) 3299 (atom-pos rG-N9 ref) 3300 (atom-pos nuc-C4 ref))) 3301 (else 3302 (tfo-align (atom-pos nuc-C1* ref) 3303 (atom-pos nuc-N1 ref) 3304 (atom-pos nuc-C2 ref))))))) 3305 (tfo-combine (nuc-dgf-base-tfo nuc) 3306 (tfo-combine tfo align)))) 3307 3308; Placement of first nucleotide. 3309 3310(define (reference nuc i) 3311 (lambda (partial-inst) 3312 (list (make-var i tfo-id nuc)))) 3313 3314; The transformation matrix for wc is from: 3315; 3316; Chandrasekaran R. et al (1989) A Re-Examination of the Crystal 3317; Structure of A-DNA Using Fiber Diffraction Data. J. Biomol. 3318; Struct. & Dynamics 6(6):1189-1202. 3319 3320(define wc-tfo 3321 (FLOATvector-const 3322 -1.0000 0.0028 -0.0019 3323 0.0028 0.3468 -0.9379 3324 -0.0019 -0.9379 -0.3468 3325 -0.0080 6.0730 8.7208)) 3326 3327(define (wc nuc i j) 3328 (lambda (partial-inst) 3329 (let* ((ref (get-var j partial-inst)) 3330 (tfo (dgf-base wc-tfo ref nuc))) 3331 (list (make-var i tfo nuc))))) 3332 3333(define wc-Dumas-tfo 3334 (FLOATvector-const 3335 -0.9737 -0.1834 0.1352 3336 -0.1779 0.2417 -0.9539 3337 0.1422 -0.9529 -0.2679 3338 0.4837 6.2649 8.0285)) 3339 3340(define (wc-Dumas nuc i j) 3341 (lambda (partial-inst) 3342 (let* ((ref (get-var j partial-inst)) 3343 (tfo (dgf-base wc-Dumas-tfo ref nuc))) 3344 (list (make-var i tfo nuc))))) 3345 3346(define helix5*-tfo 3347 (FLOATvector-const 3348 0.9886 -0.0961 0.1156 3349 0.1424 0.8452 -0.5152 3350 -0.0482 0.5258 0.8492 3351 -3.8737 0.5480 3.8024)) 3352 3353(define (helix5* nuc i j) 3354 (lambda (partial-inst) 3355 (let* ((ref (get-var j partial-inst)) 3356 (tfo (dgf-base helix5*-tfo ref nuc))) 3357 (list (make-var i tfo nuc))))) 3358 3359(define helix3*-tfo 3360 (FLOATvector-const 3361 0.9886 0.1424 -0.0482 3362 -0.0961 0.8452 0.5258 3363 0.1156 -0.5152 0.8492 3364 3.4426 2.0474 -3.7042)) 3365 3366(define (helix3* nuc i j) 3367 (lambda (partial-inst) 3368 (let* ((ref (get-var j partial-inst)) 3369 (tfo (dgf-base helix3*-tfo ref nuc))) 3370 (list (make-var i tfo nuc))))) 3371 3372(define G37-A38-tfo 3373 (FLOATvector-const 3374 0.9991 0.0164 -0.0387 3375 -0.0375 0.7616 -0.6470 3376 0.0189 0.6478 0.7615 3377 -3.3018 0.9975 2.5585)) 3378 3379(define (G37-A38 nuc i j) 3380 (lambda (partial-inst) 3381 (let* ((ref (get-var j partial-inst)) 3382 (tfo (dgf-base G37-A38-tfo ref nuc))) 3383 (make-var i tfo nuc)))) 3384 3385(define (stacked5* nuc i j) 3386 (lambda (partial-inst) 3387 (cons ((G37-A38 nuc i j) partial-inst) 3388 ((helix5* nuc i j) partial-inst)))) 3389 3390(define A38-G37-tfo 3391 (FLOATvector-const 3392 0.9991 -0.0375 0.0189 3393 0.0164 0.7616 0.6478 3394 -0.0387 -0.6470 0.7615 3395 3.3819 0.7718 -2.5321)) 3396 3397(define (A38-G37 nuc i j) 3398 (lambda (partial-inst) 3399 (let* ((ref (get-var j partial-inst)) 3400 (tfo (dgf-base A38-G37-tfo ref nuc))) 3401 (make-var i tfo nuc)))) 3402 3403(define (stacked3* nuc i j) 3404 (lambda (partial-inst) 3405 (cons ((A38-G37 nuc i j) partial-inst) 3406 ((helix3* nuc i j) partial-inst)))) 3407 3408(define (P-O3* nucs i j) 3409 (lambda (partial-inst) 3410 (let* ((ref (get-var j partial-inst)) 3411 (align 3412 (tfo-inv-ortho 3413 (tfo-align (atom-pos nuc-O3* ref) 3414 (atom-pos nuc-C3* ref) 3415 (atom-pos nuc-C4* ref))))) 3416 (let loop ((lst nucs) (domains '())) 3417 (if (null? lst) 3418 domains 3419 (let ((nuc (car lst))) 3420 (let ((tfo-60 (tfo-combine (nuc-P-O3*-60-tfo nuc) align)) 3421 (tfo-180 (tfo-combine (nuc-P-O3*-180-tfo nuc) align)) 3422 (tfo-275 (tfo-combine (nuc-P-O3*-275-tfo nuc) align))) 3423 (loop (cdr lst) 3424 (cons (make-var i tfo-60 nuc) 3425 (cons (make-var i tfo-180 nuc) 3426 (cons (make-var i tfo-275 nuc) domains))))))))))) 3427 3428; -- PROBLEM STATEMENT -------------------------------------------------------- 3429 3430; Define anticodon problem -- Science 253:1255 Figure 3a, 3b and 3c 3431 3432(define anticodon-domains 3433 (list 3434 (reference rC 27 ) 3435 (helix5* rC 28 27) 3436 (helix5* rA 29 28) 3437 (helix5* rG 30 29) 3438 (helix5* rA 31 30) 3439 (wc rU 39 31) 3440 (helix5* rC 40 39) 3441 (helix5* rU 41 40) 3442 (helix5* rG 42 41) 3443 (helix5* rG 43 42) 3444 (stacked3* rA 38 39) 3445 (stacked3* rG 37 38) 3446 (stacked3* rA 36 37) 3447 (stacked3* rA 35 36) 3448 (stacked3* rG 34 35);<-. Distance 3449 (P-O3* rCs 32 31); | Constraint 3450 (P-O3* rUs 33 32);<-' 3.0 Angstroms 3451 )) 3452 3453; Anticodon constraint 3454 3455(define (anticodon-constraint? v partial-inst) 3456 (if (= (var-id v) 33) 3457 (let ((p (atom-pos nuc-P (get-var 34 partial-inst))) ; P in nucleotide 34 3458 (o3* (atom-pos nuc-O3* v))) ; O3' in nucl. 33 3459 (FLOAT<= (pt-dist p o3*) 3.0)) ; check distance 3460 #t)) 3461 3462(define (anticodon) 3463 (search '() anticodon-domains anticodon-constraint?)) 3464 3465; Define pseudoknot problem -- Science 253:1255 Figure 4a and 4b 3466 3467(define pseudoknot-domains 3468 (list 3469 (reference rA 23 ) 3470 (wc-Dumas rU 8 23) 3471 (helix3* rG 22 23) 3472 (wc-Dumas rC 9 22) 3473 (helix3* rG 21 22) 3474 (wc-Dumas rC 10 21) 3475 (helix3* rC 20 21) 3476 (wc-Dumas rG 11 20) 3477 (helix3* rU* 19 20);<-. 3478 (wc-Dumas rA 12 19); | Distance 3479; ; | Constraint 3480; Helix 1 ; | 4.0 Angstroms 3481 (helix3* rC 3 19); | 3482 (wc-Dumas rG 13 3); | 3483 (helix3* rC 2 3); | 3484 (wc-Dumas rG 14 2); | 3485 (helix3* rC 1 2); | 3486 (wc-Dumas rG* 15 1); | 3487; ; | 3488; L2 LOOP ; | 3489 (P-O3* rUs 16 15); | 3490 (P-O3* rCs 17 16); | 3491 (P-O3* rAs 18 17);<-' 3492; 3493; L1 LOOP 3494 (helix3* rU 7 8);<-. 3495 (P-O3* rCs 4 3); | Constraint 3496 (stacked5* rU 5 4); | 4.5 Angstroms 3497 (stacked5* rC 6 5);<-' 3498 )) 3499 3500; Pseudoknot constraint 3501 3502(define (pseudoknot-constraint? v partial-inst) 3503 (case (var-id v) 3504 ((18) 3505 (let ((p (atom-pos nuc-P (get-var 19 partial-inst))) 3506 (o3* (atom-pos nuc-O3* v))) 3507 (FLOAT<= (pt-dist p o3*) 4.0))) 3508 ((6) 3509 (let ((p (atom-pos nuc-P (get-var 7 partial-inst))) 3510 (o3* (atom-pos nuc-O3* v))) 3511 (FLOAT<= (pt-dist p o3*) 4.5))) 3512 (else 3513 #t))) 3514 3515(define (pseudoknot) 3516 (search '() pseudoknot-domains pseudoknot-constraint?)) 3517 3518; -- TESTING ----------------------------------------------------------------- 3519 3520(define (list-of-atoms n) 3521 (append (list-of-common-atoms n) 3522 (list-of-specific-atoms n))) 3523 3524(define (list-of-common-atoms n) 3525 (list 3526 (nuc-P n) 3527 (nuc-O1P n) 3528 (nuc-O2P n) 3529 (nuc-O5* n) 3530 (nuc-C5* n) 3531 (nuc-H5* n) 3532 (nuc-H5** n) 3533 (nuc-C4* n) 3534 (nuc-H4* n) 3535 (nuc-O4* n) 3536 (nuc-C1* n) 3537 (nuc-H1* n) 3538 (nuc-C2* n) 3539 (nuc-H2** n) 3540 (nuc-O2* n) 3541 (nuc-H2* n) 3542 (nuc-C3* n) 3543 (nuc-H3* n) 3544 (nuc-O3* n) 3545 (nuc-N1 n) 3546 (nuc-N3 n) 3547 (nuc-C2 n) 3548 (nuc-C4 n) 3549 (nuc-C5 n) 3550 (nuc-C6 n))) 3551 3552(define (list-of-specific-atoms n) 3553 (cond ((rA? n) 3554 (list 3555 (rA-N6 n) 3556 (rA-N7 n) 3557 (rA-N9 n) 3558 (rA-C8 n) 3559 (rA-H2 n) 3560 (rA-H61 n) 3561 (rA-H62 n) 3562 (rA-H8 n))) 3563 ((rC? n) 3564 (list 3565 (rC-N4 n) 3566 (rC-O2 n) 3567 (rC-H41 n) 3568 (rC-H42 n) 3569 (rC-H5 n) 3570 (rC-H6 n))) 3571 ((rG? n) 3572 (list 3573 (rG-N2 n) 3574 (rG-N7 n) 3575 (rG-N9 n) 3576 (rG-C8 n) 3577 (rG-O6 n) 3578 (rG-H1 n) 3579 (rG-H21 n) 3580 (rG-H22 n) 3581 (rG-H8 n))) 3582 (else 3583 (list 3584 (rU-O2 n) 3585 (rU-O4 n) 3586 (rU-H3 n) 3587 (rU-H5 n) 3588 (rU-H6 n))))) 3589 3590(define (var-most-distant-atom v) 3591 3592 (define (distance pos) 3593 (let ((abs-pos (tfo-apply (var-tfo v) pos))) 3594 (let ((x (pt-x abs-pos)) (y (pt-y abs-pos)) (z (pt-z abs-pos))) 3595 (FLOATsqrt (FLOAT+ (FLOAT* x x) (FLOAT* y y) (FLOAT* z z)))))) 3596 3597 (maximum (map distance (list-of-atoms (var-nuc v))))) 3598 3599(define (sol-most-distant-atom s) 3600 (maximum (map var-most-distant-atom s))) 3601 3602(define (most-distant-atom sols) 3603 (maximum (map sol-most-distant-atom sols))) 3604 3605(define (maximum lst) 3606 (let loop ((m (car lst)) (l (cdr lst))) 3607 (if (null? l) 3608 m 3609 (let ((x (car l))) 3610 (loop (if (FLOAT> x m) x m) (cdr l)))))) 3611 3612(define (run) 3613 (most-distant-atom (pseudoknot))) 3614 3615(define (main . args) 3616 (run-benchmark 3617 "nucleic" 3618 nucleic-iters 3619 (lambda () (run)) 3620 (lambda (result) 3621 (and (number? result) 3622 (let ((x (FLOAT/ result 33.797594890762724))) 3623 (and (FLOAT> x 0.999999) (FLOAT< x 1.000001))))))) 3624