NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
476093 | 1bau | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# distance constraint number 1 &rst iat = 1, 1, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 2 &rst iat = 24, 24, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 3 &rst iat = 1, 1, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 4 &rst iat = 24, 24, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 5 &rst iat = 1, 2, iresid = 1, atnam(1)='H8',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 6 &rst iat = 24, 25, iresid = 1, atnam(1)='H8',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 7 &rst iat = 1, 1, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 8 &rst iat = 24, 24, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 9 &rst iat = 1, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 10 &rst iat = 24, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 11 &rst iat = 1, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 12 &rst iat = 24, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 13 &rst iat = 1, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 14 &rst iat = 24, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 15 &rst iat = 1, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 16 &rst iat = 24, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 17 &rst iat = 1, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 18 &rst iat = 24, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 19 &rst iat = 2, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 20 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 21 &rst iat = 2, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 22 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 23 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 24 &rst iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 25 &rst iat = 2, 3, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 26 &rst iat = 25, 26, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 27 &rst iat = 2, 3, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 28 &rst iat = 25, 26, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 29 &rst iat = 2, 3, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 30 &rst iat = 25, 26, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 31 &rst iat = 2, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 32 &rst iat = 25, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 33 &rst iat = 2, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 34 &rst iat = 25, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 35 &rst iat = 2, 3, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 36 &rst iat = 25, 26, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 37 &rst iat = 3, 3, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 38 &rst iat = 26, 26, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 39 &rst iat = 3, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 40 &rst iat = 26, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 41 &rst iat = 3, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 42 &rst iat = 26, 26, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 43 &rst iat = 3, 3, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 44 &rst iat = 26, 26, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 45 &rst iat = 3, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 46 &rst iat = 26, 27, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 47 &rst iat = 3, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 48 &rst iat = 26, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 49 &rst iat = 3, 4, iresid = 1, atnam(1)='H5',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 50 &rst iat = 26, 27, iresid = 1, atnam(1)='H5',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 51 &rst iat = 3, 4, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 52 &rst iat = 26, 27, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 53 &rst iat = 3, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 54 &rst iat = 26, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 55 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 56 &rst iat = 27, 27, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 57 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 58 &rst iat = 27, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 59 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 60 &rst iat = 27, 27, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 61 &rst iat = 4, 5, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 62 &rst iat = 27, 28, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 63 &rst iat = 4, 5, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 64 &rst iat = 27, 28, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 65 &rst iat = 4, 5, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 66 &rst iat = 27, 28, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 67 &rst iat = 4, 5, iresid = 1, atnam(1)='H8',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 68 &rst iat = 27, 28, iresid = 1, atnam(1)='H8',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 69 &rst iat = 4, 5, iresid = 1, atnam(1)='H2',atnam(2)='H2''1', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 70 &rst iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H2''1', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 71 &rst iat = 4, 5, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 72 &rst iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 73 &rst iat = 4, 5, iresid = 1, atnam(1)='H2',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 74 &rst iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 75 &rst iat = 4, 5, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 76 &rst iat = 27, 28, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 77 &rst iat = 5, 5, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 78 &rst iat = 28, 28, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 79 &rst iat = 5, 5, iresid = 1, atnam(1)='H2''1',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 80 &rst iat = 28, 28, iresid = 1, atnam(1)='H2''1',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 81 &rst iat = 5, 5, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 82 &rst iat = 28, 28, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 83 &rst iat = 5, 6, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 84 &rst iat = 28, 29, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 85 &rst iat = 5, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 86 &rst iat = 28, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 87 &rst iat = 5, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 88 &rst iat = 28, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 89 &rst iat = 5, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 90 &rst iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 91 &rst iat = 5, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 92 &rst iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 93 &rst iat = 5, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 94 &rst iat = 28, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 95 &rst iat = 5, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 96 &rst iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 97 &rst iat = 5, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 98 &rst iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 99 &rst iat = 5, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 100 &rst iat = 28, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 101 &rst iat = 5, 6, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 102 &rst iat = 28, 29, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 103 &rst iat = 5, 6, iresid = 1, atnam(1)='H2',atnam(2)='H2''1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 104 &rst iat = 28, 29, iresid = 1, atnam(1)='H2',atnam(2)='H2''1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 105 &rst iat = 5, 6, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 106 &rst iat = 28, 29, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 107 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 108 &rst iat = 29, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 109 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 110 &rst iat = 29, 29, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 111 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 112 &rst iat = 29, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 113 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 114 &rst iat = 29, 29, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 115 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 116 &rst iat = 29, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 117 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 118 &rst iat = 29, 29, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 119 &rst iat = 6, 6, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 120 &rst iat = 29, 29, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 121 &rst iat = 6, 7, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 122 &rst iat = 29, 30, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 123 &rst iat = 6, 7, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 124 &rst iat = 29, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 125 &rst iat = 6, 7, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 126 &rst iat = 29, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 127 &rst iat = 6, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 128 &rst iat = 29, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 129 &rst iat = 6, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 130 &rst iat = 29, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 131 &rst iat = 6, 7, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 132 &rst iat = 29, 30, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 133 &rst iat = 7, 7, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 134 &rst iat = 30, 30, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 135 &rst iat = 7, 7, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 136 &rst iat = 30, 30, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 137 &rst iat = 7, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 138 &rst iat = 30, 30, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 139 &rst iat = 7, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 140 &rst iat = 30, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 141 &rst iat = 7, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 142 &rst iat = 30, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 143 &rst iat = 7, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 144 &rst iat = 30, 31, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 145 &rst iat = 7, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 146 &rst iat = 30, 31, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 147 &rst iat = 7, 8, iresid = 1, atnam(1)='H8',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 148 &rst iat = 30, 31, iresid = 1, atnam(1)='H8',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 149 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 150 &rst iat = 31, 31, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 151 &rst iat = 8, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 152 &rst iat = 31, 31, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 153 &rst iat = 9, 9, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 154 &rst iat = 32, 32, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 155 &rst iat = 9, 9, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 156 &rst iat = 32, 32, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 157 &rst iat = 9, 9, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 158 &rst iat = 32, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 159 &rst iat = 9, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 160 &rst iat = 32, 33, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 161 &rst iat = 9, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 162 &rst iat = 32, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 163 &rst iat = 9, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 164 &rst iat = 32, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 165 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 166 &rst iat = 33, 33, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 167 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 168 &rst iat = 33, 33, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 169 &rst iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 170 &rst iat = 33, 33, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 171 &rst iat = 10, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 172 &rst iat = 33, 34, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 173 &rst iat = 10, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 174 &rst iat = 33, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 175 &rst iat = 10, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 176 &rst iat = 33, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 177 &rst iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 178 &rst iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 179 &rst iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 180 &rst iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 181 &rst iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 182 &rst iat = 33, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 183 &rst iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 184 &rst iat = 34, 34, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 185 &rst iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 186 &rst iat = 34, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 187 &rst iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 188 &rst iat = 34, 34, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 189 &rst iat = 11, 11, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 190 &rst iat = 34, 34, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 191 &rst iat = 11, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 192 &rst iat = 34, 35, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 193 &rst iat = 11, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 194 &rst iat = 34, 35, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 195 &rst iat = 11, 12, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 196 &rst iat = 34, 35, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 197 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 198 &rst iat = 35, 35, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 199 &rst iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 200 &rst iat = 35, 35, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 201 &rst iat = 12, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 202 &rst iat = 35, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 203 &rst iat = 12, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 204 &rst iat = 35, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 205 &rst iat = 12, 13, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 206 &rst iat = 35, 36, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 207 &rst iat = 13, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 208 &rst iat = 36, 36, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 209 &rst iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 210 &rst iat = 36, 36, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 211 &rst iat = 13, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 212 &rst iat = 36, 37, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 213 &rst iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 214 &rst iat = 36, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 215 &rst iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 216 &rst iat = 36, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 217 &rst iat = 14, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 218 &rst iat = 37, 37, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 219 &rst iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 220 &rst iat = 37, 37, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 221 &rst iat = 14, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 222 &rst iat = 37, 38, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 223 &rst iat = 14, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 224 &rst iat = 37, 38, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 225 &rst iat = 14, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 226 &rst iat = 37, 38, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 227 &rst iat = 14, 15, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 228 &rst iat = 37, 38, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 229 &rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 230 &rst iat = 38, 38, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 231 &rst iat = 15, 15, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 232 &rst iat = 38, 38, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 233 &rst iat = 15, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 234 &rst iat = 38, 39, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 235 &rst iat = 15, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 236 &rst iat = 38, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 237 &rst iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 238 &rst iat = 39, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 239 &rst iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 240 &rst iat = 39, 39, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 241 &rst iat = 16, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 242 &rst iat = 39, 39, iresid = 1, atnam(1)='H8',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 243 &rst iat = 16, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 244 &rst iat = 39, 40, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 245 &rst iat = 16, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 246 &rst iat = 39, 40, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 247 &rst iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 248 &rst iat = 39, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 249 &rst iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 250 &rst iat = 39, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 251 &rst iat = 16, 17, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 252 &rst iat = 39, 40, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 253 &rst iat = 16, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 254 &rst iat = 39, 40, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 255 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 256 &rst iat = 40, 40, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 257 &rst iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 258 &rst iat = 40, 40, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 259 &rst iat = 17, 17, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 260 &rst iat = 40, 40, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 261 &rst iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 262 &rst iat = 40, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 263 &rst iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 264 &rst iat = 40, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 265 &rst iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 266 &rst iat = 40, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 267 &rst iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 268 &rst iat = 40, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 269 &rst iat = 17, 18, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 270 &rst iat = 40, 41, iresid = 1, atnam(1)='H6',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 271 &rst iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 272 &rst iat = 41, 41, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 273 &rst iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 274 &rst iat = 41, 41, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 275 &rst iat = 18, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 276 &rst iat = 41, 41, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 277 &rst iat = 18, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 278 &rst iat = 41, 42, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 279 &rst iat = 18, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 280 &rst iat = 41, 42, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 281 &rst iat = 18, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 282 &rst iat = 41, 42, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 283 &rst iat = 18, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 284 &rst iat = 41, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 285 &rst iat = 18, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 286 &rst iat = 41, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 287 &rst iat = 18, 19, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 288 &rst iat = 41, 42, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 289 &rst iat = 18, 19, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 290 &rst iat = 41, 42, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 291 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 292 &rst iat = 42, 42, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 293 &rst iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 294 &rst iat = 42, 42, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 295 &rst iat = 19, 19, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 296 &rst iat = 42, 42, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 297 &rst iat = 20, 20, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 298 &rst iat = 43, 43, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 299 &rst iat = 20, 20, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 300 &rst iat = 43, 43, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 301 &rst iat = 20, 20, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 302 &rst iat = 43, 43, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 303 &rst iat = 20, 20, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 304 &rst iat = 43, 43, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 305 &rst iat = 20, 20, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 306 &rst iat = 43, 43, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 307 &rst iat = 20, 20, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 308 &rst iat = 43, 43, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 309 &rst iat = 20, 20, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 310 &rst iat = 43, 43, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 311 &rst iat = 20, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 312 &rst iat = 43, 44, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 313 &rst iat = 20, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 314 &rst iat = 43, 44, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 315 &rst iat = 20, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 316 &rst iat = 43, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 317 &rst iat = 20, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 318 &rst iat = 43, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 319 &rst iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 320 &rst iat = 44, 44, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 321 &rst iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 322 &rst iat = 44, 44, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 323 &rst iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 324 &rst iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 325 &rst iat = 21, 22, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 326 &rst iat = 44, 45, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 327 &rst iat = 21, 22, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 328 &rst iat = 44, 45, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 329 &rst iat = 21, 22, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 330 &rst iat = 44, 45, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 331 &rst iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 332 &rst iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 333 &rst iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 334 &rst iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 335 &rst iat = 21, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 336 &rst iat = 44, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 337 &rst iat = 21, 22, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 338 &rst iat = 44, 45, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 339 &rst iat = 22, 22, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 340 &rst iat = 45, 45, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 341 &rst iat = 22, 22, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 342 &rst iat = 45, 45, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 343 &rst iat = 22, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 344 &rst iat = 45, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 345 &rst iat = 22, 22, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 346 &rst iat = 45, 45, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 347 &rst iat = 22, 22, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 348 &rst iat = 45, 45, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 349 &rst iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 350 &rst iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 351 &rst iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 352 &rst iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 353 &rst iat = 22, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 354 &rst iat = 45, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 355 &rst iat = 22, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 356 &rst iat = 45, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 357 &rst iat = 22, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 358 &rst iat = 45, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 359 &rst iat = 22, 23, iresid = 1, atnam(1)='H6',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 360 &rst iat = 45, 46, iresid = 1, atnam(1)='H6',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 361 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 362 &rst iat = 46, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H5', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 363 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 364 &rst iat = 46, 46, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 365 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 366 &rst iat = 46, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 367 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 368 &rst iat = 46, 46, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 369 &rst iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 370 &rst iat = 46, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 371 &rst iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 372 &rst iat = 46, 46, iresid = 1, atnam(1)='H1''',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 373 &rst iat = 23, 23, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 374 &rst iat = 46, 46, iresid = 1, atnam(1)='H5',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 375 &rst iat = 4, 21, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 376 &rst iat = 27, 44, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 377 &rst iat = 5, 20, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 378 &rst iat = 28, 43, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 379 &rst iat = 8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 380 &rst iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 381 &rst iat = 8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 382 &rst iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 383 &rst iat = 8, 16, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 384 &rst iat = 31, 39, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 385 &rst iat = 8, 32, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 386 &rst iat = 31, 9, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 387 &rst iat = 8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 388 &rst iat = 31, 9, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 5.000, r4 = 6.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 389 &rst iat = 8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 390 &rst iat = 31, 9, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 391 &rst iat = 8, 32, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 392 &rst iat = 31, 9, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 393 &rst iat = 8, 32, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 394 &rst iat = 31, 9, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 395 &rst iat = 9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 396 &rst iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 397 &rst iat = 9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 1.000, r2 = 2.000, r3 = 3.000, r4 = 4.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 398 &rst iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H2', r1 = 2.000, r2 = 3.000, r3 = 7.000, r4 = 8.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 399 &rst iat = 9, 39, iresid = 1, atnam(1)='H2',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 400 &rst iat = 32, 16, iresid = 1, atnam(1)='H2',atnam(2)='H8', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 401 &rst iat = 9, 40, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 402 &rst iat = 32, 17, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 403 &rst iat = 9, 40, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 404 &rst iat = 32, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 405 &rst iat = 9, 40, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 406 &rst iat = 32, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end ############################################ # DISTANCE RESTRAINTS FROM WATER 2DNOE DATA# ############################################ # distance constraint number 407 &rst iat = 1, 2, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 408 &rst iat = 24, 25, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 409 &rst iat = 1, 22, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 410 &rst iat = 24, 45, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 411 &rst iat = 1, 22, iresid = 1, atnam(1)='H1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 412 &rst iat = 24, 45, iresid = 1, atnam(1)='H1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 413 &rst iat = 2, 3, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 414 &rst iat = 25, 26, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 415 &rst iat = 2, 3, iresid = 1, atnam(1)='H1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 416 &rst iat = 25, 26, iresid = 1, atnam(1)='H1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 417 &rst iat = 2, 21, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 418 &rst iat = 25, 44, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 419 &rst iat = 3, 21, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 420 &rst iat = 26, 44, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 421 &rst iat = 3, 21, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 422 &rst iat = 26, 44, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 423 &rst iat = 3, 21, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 424 &rst iat = 26, 44, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 425 &rst iat = 3, 20, iresid = 1, atnam(1)='H41',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 426 &rst iat = 26, 43, iresid = 1, atnam(1)='H41',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 427 &rst iat = 4, 20, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 428 &rst iat = 27, 43, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 429 &rst iat = 4, 20, iresid = 1, atnam(1)='H61',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 430 &rst iat = 27, 43, iresid = 1, atnam(1)='H61',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 431 &rst iat = 4, 20, iresid = 1, atnam(1)='H62',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 432 &rst iat = 27, 43, iresid = 1, atnam(1)='H62',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 433 &rst iat = 4, 19, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 434 &rst iat = 27, 42, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 435 &rst iat = 4, 20, iresid = 1, atnam(1)='H61',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 436 &rst iat = 27, 43, iresid = 1, atnam(1)='H61',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 437 &rst iat = 5, 19, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 438 &rst iat = 28, 42, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 439 &rst iat = 5, 20, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 440 &rst iat = 28, 43, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 441 &rst iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 442 &rst iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 443 &rst iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H42', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 444 &rst iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H42', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 445 &rst iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 446 &rst iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 447 &rst iat = 10, 38, iresid = 1, atnam(1)='H1',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 448 &rst iat = 33, 15, iresid = 1, atnam(1)='H1',atnam(2)='H6', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 449 &rst iat = 10, 37, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 450 &rst iat = 33, 14, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 451 &rst iat = 11, 12, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 452 &rst iat = 34, 35, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 453 &rst iat = 11, 12, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 454 &rst iat = 34, 35, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 455 &rst iat = 11, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 456 &rst iat = 34, 35, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 457 &rst iat = 11, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 458 &rst iat = 34, 35, iresid = 1, atnam(1)='H6',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 459 &rst iat = 12, 35, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 460 &rst iat = 12, 35, iresid = 1, atnam(1)='H1',atnam(2)='H21', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 461 &rst iat = 12, 35, iresid = 1, atnam(1)='H21',atnam(2)='H1', r1 = 1.000, r2 = 2.000, r3 = 4.000, r4 = 5.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 462 &rst iat = 13, 12, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 463 &rst iat = 36, 35, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 464 &rst iat = 13, 12, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 465 &rst iat = 36, 35, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 466 &rst iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 467 &rst iat = 36, 35, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 468 &rst iat = 13, 14, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 469 &rst iat = 36, 37, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 470 &rst iat = 13, 14, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 471 &rst iat = 36, 37, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 472 &rst iat = 13, 14, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 473 &rst iat = 36, 37, iresid = 1, atnam(1)='H5',atnam(2)='H1', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 474 &rst iat = 19, 20, iresid = 1, atnam(1)='H3',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 475 &rst iat = 42, 43, iresid = 1, atnam(1)='H3',atnam(2)='H3', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end # distance constraint number 476 &rst iat = 19, 20, iresid = 1, atnam(1)='H3',atnam(2)='H5', r1 = 2.000, r2 = 3.000, r3 = 6.000, r4 = 7.000, rk2 =30.001, rk3 =30.001, &end
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