# 632 atoms read from pdb file gcg_b.amb.pdb. # 1 GUA NU0: (1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2') -44.7 -14.7 &rst iat = 6, 8, 9, 28, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, rk2 = 32.0, rk3 = 32.0, &end # 1 GUA NU1: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3') 18.1 48.1 &rst iat = 8, 9, 28, 26, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 1 GUA NU2: (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -37.2 -6.7 &rst iat = 9, 28, 26, 6, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 1 GUA NU3: (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4') -16.9 24.2 &rst iat = 28, 26, 6, 8, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 1 GUA NU4: (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') -1.9 34.0 &rst iat = 26, 6, 8, 9, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 2 CYT NU0: (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') -44.7 -14.7 &rst iat = 39, 41, 42, 58, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 2 CYT NU1: (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3') 18.1 48.1 &rst iat = 41, 42, 58, 56, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 2 CYT NU2: (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') -37.2 -6.7 &rst iat = 42, 58, 56, 39, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 2 CYT NU3: (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4') -16.9 24.2 &rst iat = 58, 56, 39, 41, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 2 CYT NU4: (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1') -1.9 34.0 &rst iat = 56, 39, 41, 42, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 3 GUA NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -43.9 -13.9 &rst iat = 69, 71, 72, 91, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 3 GUA NU1: (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3') 22.2 52.2 &rst iat = 71, 72, 91, 89, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 3 GUA NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -44.6 -14.6 &rst iat = 72, 91, 89, 69, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 3 GUA NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') -3.2 26.8 &rst iat = 91, 89, 69, 71, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 3 GUA NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -4.4 25.6 &rst iat = 89, 69, 71, 72, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 4 THY NU0: (4 DT C4')-(4 DT O4')-(4 DT C1')-(4 DT C2') -52.1 -22.1 &rst iat = 102, 104, 105, 123, r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1, &end # 4 THY NU1: (4 DT O4')-(4 DT C1')-(4 DT C2')-(4 DT C3') 15.0 45.0 &rst iat = 104, 105, 123, 121, r1 = 14.0, r2 = 15.0, r3 = 45.0, r4 = 46.0, &end # 4 THY NU2: (4 DT C1')-(4 DT C2')-(4 DT C3')-(4 DT C4') -27.4 2.6 &rst iat = 105, 123, 121, 102, r1 = -28.4, r2 = -27.4, r3 = 2.6, r4 = 3.6, &end # 4 THY NU3: (4 DT C2')-(4 DT C3')-(4 DT C4')-(4 DT O4') -25.0 5.0 &rst iat = 123, 121, 102, 104, r1 = -26.0, r2 = -25.0, r3 = 5.0, r4 = 6.0, &end # 4 THY NU4: (4 DT C3')-(4 DT C4')-(4 DT O4')-(4 DT C1') 13.5 43.5 &rst iat = 121, 102, 104, 105, r1 = 12.5, r2 = 13.5, r3 = 43.5, r4 = 44.5, &end # 5 THY NU0: (5 DT C4')-(5 DT O4')-(5 DT C1')-(5 DT C2') -52.1 -22.1 &rst iat = 134, 136, 137, 155, r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1, &end # 5 THY NU1: (5 DT O4')-(5 DT C1')-(5 DT C2')-(5 DT C3') 15.0 45.0 &rst iat = 136, 137, 155, 153, r1 = 14.0, r2 = 15.0, r3 = 45.0, r4 = 46.0, &end # 5 THY NU2: (5 DT C1')-(5 DT C2')-(5 DT C3')-(5 DT C4') -27.4 2.6 &rst iat = 137, 155, 153, 134, r1 = -28.4, r2 = -27.4, r3 = 2.6, r4 = 3.6, &end # 5 THY NU3: (5 DT C2')-(5 DT C3')-(5 DT C4')-(5 DT O4') -25.0 5.0 &rst iat = 155, 153, 134, 136, r1 = -26.0, r2 = -25.0, r3 = 5.0, r4 = 6.0, &end # 5 THY NU4: (5 DT C3')-(5 DT C4')-(5 DT O4')-(5 DT C1') 13.5 43.5 &rst iat = 153, 134, 136, 137, r1 = 12.5, r2 = 13.5, r3 = 43.5, r4 = 44.5, &end # 6 ADE NU0: (6 DA C4')-(6 DA O4')-(6 DA C1')-(6 DA C2') -43.9 -13.9 &rst iat = 166, 168, 169, 187, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 6 ADE NU1: (6 DA O4')-(6 DA C1')-(6 DA C2')-(6 DA C3') 22.2 52.2 &rst iat = 168, 169, 187, 185, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 6 ADE NU2: (6 DA C1')-(6 DA C2')-(6 DA C3')-(6 DA C4') -44.6 -14.6 &rst iat = 169, 187, 185, 166, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 6 ADE NU3: (6 DA C2')-(6 DA C3')-(6 DA C4')-(6 DA O4') -3.2 26.8 &rst iat = 187, 185, 166, 168, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 6 ADE NU4: (6 DA C3')-(6 DA C4')-(6 DA O4')-(6 DA C1') -4.4 25.6 &rst iat = 185, 166, 168, 169, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 7 ADE NU0: (7 DA C4')-(7 DA O4')-(7 DA C1')-(7 DA C2') -43.9 -13.9 &rst iat = 198, 200, 201, 219, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 7 ADE NU1: (7 DA O4')-(7 DA C1')-(7 DA C2')-(7 DA C3') 22.2 52.2 &rst iat = 200, 201, 219, 217, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 7 ADE NU2: (7 DA C1')-(7 DA C2')-(7 DA C3')-(7 DA C4') -44.6 -14.6 &rst iat = 201, 219, 217, 198, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 7 ADE NU3: (7 DA C2')-(7 DA C3')-(7 DA C4')-(7 DA O4') -3.2 26.8 &rst iat = 219, 217, 198, 200, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 7 ADE NU4: (7 DA C3')-(7 DA C4')-(7 DA O4')-(7 DA C1') -4.4 25.6 &rst iat = 217, 198, 200, 201, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 8 CYT NU0: (8 DC C4')-(8 DC O4')-(8 DC C1')-(8 DC C2') -52.1 -22.1 &rst iat = 230, 232, 233, 249, r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1, &end # 8 CYT NU1: (8 DC O4')-(8 DC C1')-(8 DC C2')-(8 DC C3') 15.0 45.0 &rst iat = 232, 233, 249, 247, r1 = 14.0, r2 = 15.0, r3 = 45.0, r4 = 46.0, &end # 8 CYT NU2: (8 DC C1')-(8 DC C2')-(8 DC C3')-(8 DC C4') -27.4 2.6 &rst iat = 233, 249, 247, 230, r1 = -28.4, r2 = -27.4, r3 = 2.6, r4 = 3.6, &end # 8 CYT NU3: (8 DC C2')-(8 DC C3')-(8 DC C4')-(8 DC O4') -25.0 5.0 &rst iat = 249, 247, 230, 232, r1 = -26.0, r2 = -25.0, r3 = 5.0, r4 = 6.0, &end # 8 CYT NU4: (8 DC C3')-(8 DC C4')-(8 DC O4')-(8 DC C1') 13.5 43.5 &rst iat = 247, 230, 232, 233, r1 = 12.5, r2 = 13.5, r3 = 43.5, r4 = 44.5, &end # 9 GUA NU0: (9 DG C4')-(9 DG O4')-(9 DG C1')-(9 DG C2') -44.7 -14.7 &rst iat = 260, 262, 263, 282, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 9 GUA NU1: (9 DG O4')-(9 DG C1')-(9 DG C2')-(9 DG C3') 18.1 48.1 &rst iat = 262, 263, 282, 280, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 9 GUA NU2: (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -37.2 -6.7 &rst iat = 263, 282, 280, 260, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 9 GUA NU3: (9 DG C2')-(9 DG C3')-(9 DG C4')-(9 DG O4') -16.9 24.2 &rst iat = 282, 280, 260, 262, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 9 GUA NU4: (9 DG C3')-(9 DG C4')-(9 DG O4')-(9 DG C1') -1.9 34.0 &rst iat = 280, 260, 262, 263, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 11 GUA NU0: (11 DG5 C4')-(11 DG5 O4')-(11 DG5 C1')-(11 DG5 C2') -44.7 -14.7 &rst iat = 322, 324, 325, 344, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 11 GUA NU1: (11 DG5 O4')-(11 DG5 C1')-(11 DG5 C2')-(11 DG5 C3') 18.1 48.1 &rst iat = 324, 325, 344, 342, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 11 GUA NU2: (11 DG5 C1')-(11 DG5 C2')-(11 DG5 C3')-(11 DG5 C4') -37.2 -6.7 &rst iat = 325, 344, 342, 322, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 11 GUA NU3: (11 DG5 C2')-(11 DG5 C3')-(11 DG5 C4')-(11 DG5 O4') -16.9 24.2 &rst iat = 344, 342, 322, 324, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 11 GUA NU4: (11 DG5 C3')-(11 DG5 C4')-(11 DG5 O4')-(11 DG5 C1') -1.9 34.0 &rst iat = 342, 322, 324, 325, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 12 CYT NU0: (12 DC C4')-(12 DC O4')-(12 DC C1')-(12 DC C2') -44.7 -14.7 &rst iat = 355, 357, 358, 374, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 12 CYT NU1: (12 DC O4')-(12 DC C1')-(12 DC C2')-(12 DC C3') 18.1 48.1 &rst iat = 357, 358, 374, 372, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 12 CYT NU2: (12 DC C1')-(12 DC C2')-(12 DC C3')-(12 DC C4') -37.2 -6.7 &rst iat = 358, 374, 372, 355, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 12 CYT NU3: (12 DC C2')-(12 DC C3')-(12 DC C4')-(12 DC O4') -16.9 24.2 &rst iat = 374, 372, 355, 357, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 12 CYT NU4: (12 DC C3')-(12 DC C4')-(12 DC O4')-(12 DC C1') -1.9 34.0 &rst iat = 372, 355, 357, 358, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end # 13 GUA NU0: (13 DG C4')-(13 DG O4')-(13 DG C1')-(13 DG C2') -43.9 -13.9 &rst iat = 385, 387, 388, 407, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 13 GUA NU1: (13 DG O4')-(13 DG C1')-(13 DG C2')-(13 DG C3') 22.2 52.2 &rst iat = 387, 388, 407, 405, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 13 GUA NU2: (13 DG C1')-(13 DG C2')-(13 DG C3')-(13 DG C4') -44.6 -14.6 &rst iat = 388, 407, 405, 385, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 13 GUA NU3: (13 DG C2')-(13 DG C3')-(13 DG C4')-(13 DG O4') -3.2 26.8 &rst iat = 407, 405, 385, 387, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 13 GUA NU4: (13 DG C3')-(13 DG C4')-(13 DG O4')-(13 DG C1') -4.4 25.6 &rst iat = 405, 385, 387, 388, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 14 THY NU0: (14 DT C4')-(14 DT O4')-(14 DT C1')-(14 DT C2') -52.1 -22.1 &rst iat = 418, 420, 421, 439, r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1, &end # 14 THY NU1: (14 DT O4')-(14 DT C1')-(14 DT C2')-(14 DT C3') 15.0 45.0 &rst iat = 420, 421, 439, 437, r1 = 14.0, r2 = 15.0, r3 = 45.0, r4 = 46.0, &end # 14 THY NU2: (14 DT C1')-(14 DT C2')-(14 DT C3')-(14 DT C4') -27.4 2.6 &rst iat = 421, 439, 437, 418, r1 = -28.4, r2 = -27.4, r3 = 2.6, r4 = 3.6, &end # 14 THY NU3: (14 DT C2')-(14 DT C3')-(14 DT C4')-(14 DT O4') -25.0 5.0 &rst iat = 439, 437, 418, 420, r1 = -26.0, r2 = -25.0, r3 = 5.0, r4 = 6.0, &end # 14 THY NU4: (14 DT C3')-(14 DT C4')-(14 DT O4')-(14 DT C1') 13.5 43.5 &rst iat = 437, 418, 420, 421, r1 = 12.5, r2 = 13.5, r3 = 43.5, r4 = 44.5, &end # 15 THY NU0: (15 DT C4')-(15 DT O4')-(15 DT C1')-(15 DT C2') -52.1 -22.1 &rst iat = 450, 452, 453, 471, r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1, &end # 15 THY NU1: (15 DT O4')-(15 DT C1')-(15 DT C2')-(15 DT C3') 15.0 45.0 &rst iat = 452, 453, 471, 469, r1 = 14.0, r2 = 15.0, r3 = 45.0, r4 = 46.0, &end # 15 THY NU2: (15 DT C1')-(15 DT C2')-(15 DT C3')-(15 DT C4') -27.4 2.6 &rst iat = 453, 471, 469, 450, r1 = -28.4, r2 = -27.4, r3 = 2.6, r4 = 3.6, &end # 15 THY NU3: (15 DT C2')-(15 DT C3')-(15 DT C4')-(15 DT O4') -25.0 5.0 &rst iat = 471, 469, 450, 452, r1 = -26.0, r2 = -25.0, r3 = 5.0, r4 = 6.0, &end # 15 THY NU4: (15 DT C3')-(15 DT C4')-(15 DT O4')-(15 DT C1') 13.5 43.5 &rst iat = 469, 450, 452, 453, r1 = 12.5, r2 = 13.5, r3 = 43.5, r4 = 44.5, &end # 16 ADE NU0: (16 DA C4')-(16 DA O4')-(16 DA C1')-(16 DA C2') -43.9 -13.9 &rst iat = 482, 484, 485, 503, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 16 ADE NU1: (16 DA O4')-(16 DA C1')-(16 DA C2')-(16 DA C3') 22.2 52.2 &rst iat = 484, 485, 503, 501, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 16 ADE NU2: (16 DA C1')-(16 DA C2')-(16 DA C3')-(16 DA C4') -44.6 -14.6 &rst iat = 485, 503, 501, 482, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 16 ADE NU3: (16 DA C2')-(16 DA C3')-(16 DA C4')-(16 DA O4') -3.2 26.8 &rst iat = 503, 501, 482, 484, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 16 ADE NU4: (16 DA C3')-(16 DA C4')-(16 DA O4')-(16 DA C1') -4.4 25.6 &rst iat = 501, 482, 484, 485, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 17 ADE NU0: (17 DA C4')-(17 DA O4')-(17 DA C1')-(17 DA C2') -43.9 -13.9 &rst iat = 514, 516, 517, 535, r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9, &end # 17 ADE NU1: (17 DA O4')-(17 DA C1')-(17 DA C2')-(17 DA C3') 22.2 52.2 &rst iat = 516, 517, 535, 533, r1 = 21.2, r2 = 22.2, r3 = 52.2, r4 = 53.2, &end # 17 ADE NU2: (17 DA C1')-(17 DA C2')-(17 DA C3')-(17 DA C4') -44.6 -14.6 &rst iat = 517, 535, 533, 514, r1 = -45.6, r2 = -44.6, r3 = -14.6, r4 = -13.6, &end # 17 ADE NU3: (17 DA C2')-(17 DA C3')-(17 DA C4')-(17 DA O4') -3.2 26.8 &rst iat = 535, 533, 514, 516, r1 = -4.2, r2 = -3.2, r3 = 26.8, r4 = 27.8, &end # 17 ADE NU4: (17 DA C3')-(17 DA C4')-(17 DA O4')-(17 DA C1') -4.4 25.6 &rst iat = 533, 514, 516, 517, r1 = -5.4, r2 = -4.4, r3 = 25.6, r4 = 26.6, &end # 18 CYT NU0: (18 DC C4')-(18 DC O4')-(18 DC C1')-(18 DC C2') -52.1 -22.1 &rst iat = 546, 548, 549, 565, r1 = -53.1, r2 = -52.1, r3 = -22.1, r4 = -21.1, &end # 18 CYT NU1: (18 DC O4')-(18 DC C1')-(18 DC C2')-(18 DC C3') 15.0 45.0 &rst iat = 548, 549, 565, 563, r1 = 14.0, r2 = 15.0, r3 = 45.0, r4 = 46.0, &end # 18 CYT NU2: (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -27.4 2.6 &rst iat = 549, 565, 563, 546, r1 = -28.4, r2 = -27.4, r3 = 2.6, r4 = 3.6, &end # 18 CYT NU3: (18 DC C2')-(18 DC C3')-(18 DC C4')-(18 DC O4') -25.0 5.0 &rst iat = 565, 563, 546, 548, r1 = -26.0, r2 = -25.0, r3 = 5.0, r4 = 6.0, &end # 18 CYT NU4: (18 DC C3')-(18 DC C4')-(18 DC O4')-(18 DC C1') 13.5 43.5 &rst iat = 563, 546, 548, 549, r1 = 12.5, r2 = 13.5, r3 = 43.5, r4 = 44.5, &end # 19 GUA NU0: (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -44.7 -14.7 &rst iat = 576, 578, 579, 598, r1 = -45.7, r2 = -44.7, r3 = -14.7, r4 = -13.7, &end # 19 GUA NU1: (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3') 18.1 48.1 &rst iat = 578, 579, 598, 596, r1 = 17.1, r2 = 18.1, r3 = 48.1, r4 = 49.1, &end # 19 GUA NU2: (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -37.2 -6.7 &rst iat = 579, 598, 596, 576, r1 = -38.2, r2 = -37.2, r3 = -6.7, r4 = -5.7, &end # 19 GUA NU3: (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4') -16.9 24.2 &rst iat = 598, 596, 576, 578, r1 = -17.9, r2 = -16.9, r3 = 24.2, r4 = 25.2, &end # 19 GUA NU4: (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -1.9 34.0 &rst iat = 596, 576, 578, 579, r1 = -2.9, r2 = -1.9, r3 = 34.0, r4 = 35.0, &end