1 120 Two PolyAlanine Helices for Rigid Body Calculations 2 1 CH3 7.725084 1.892948 0.805804 7 2 3 2 C 6.682170 1.343128 -0.137663 1 1 3 4 4 3 O 5.537108 1.763180 -0.165820 2 2 5 4 N 7.120932 0.360311 -0.935884 3 2 5 8 6 5 CH 6.232144 -0.275211 -1.904268 6 4 6 9 7 6 C 5.085589 -0.984664 -1.224423 1 5 7 10 8 7 O 3.941209 -0.932495 -1.644034 2 6 9 8 H 8.094525 0.069545 -0.846596 4 4 10 9 CH3 7.019140 -1.321783 -2.714777 7 5 11 10 N 5.469846 -1.660317 -0.132893 3 6 11 14 12 11 CH 4.505323 -2.412863 0.663958 6 10 12 15 13 12 C 3.460727 -1.508093 1.272491 1 11 13 16 14 13 O 2.277408 -1.803066 1.306351 2 12 15 14 H 6.456452 -1.633058 0.124527 4 10 16 15 CH3 5.236485 -3.128537 1.814962 7 11 17 16 N 3.979863 -0.371970 1.757591 3 12 17 20 18 17 CH 3.129933 0.634548 2.386988 6 16 18 21 19 18 C 2.126119 1.202621 1.412435 1 17 19 22 20 19 O 0.963292 1.411866 1.716487 2 18 21 20 H 4.986671 -0.231494 1.673908 4 16 22 21 CH3 4.001436 1.797460 2.896613 7 17 23 22 N 2.655873 1.442049 0.205109 3 18 23 26 24 23 CH 1.844391 1.993211 -0.876240 6 22 24 27 25 24 C 0.725348 1.056621 -1.264365 1 23 25 28 26 25 O -0.405208 1.448941 -1.501700 2 24 27 26 H 3.643094 1.227661 0.064285 4 22 28 27 CH3 2.726062 2.213956 -2.119434 7 23 29 28 N 1.116768 -0.223954 -1.314565 3 24 29 32 30 29 CH 0.178182 -1.283687 -1.671804 6 28 30 33 31 30 C -0.944149 -1.393982 -0.667658 1 29 31 34 32 31 O -2.105698 -1.565451 -0.999025 2 30 33 32 H 2.090160 -0.436090 -1.095693 4 28 34 33 CH3 0.916204 -2.634959 -1.703269 7 29 35 34 N -0.518335 -1.283271 0.598053 3 30 35 38 36 35 CH -1.454011 -1.363481 1.715942 6 34 36 39 37 36 C -2.460042 -0.237980 1.680630 1 35 37 40 38 37 O -3.643778 -0.409072 1.921248 2 36 39 38 H 0.479144 -1.141275 0.757025 4 34 40 39 CH3 -0.679415 -1.261069 3.043011 7 35 41 40 N -1.907086 0.940026 1.361034 3 36 41 44 42 41 CH -2.716605 2.151986 1.274822 6 40 42 45 43 42 C -3.757190 2.049078 0.185469 1 41 43 46 44 43 O -4.902714 2.441651 0.334001 2 42 45 44 H -0.903615 0.964540 1.179800 4 40 46 45 CH3 -1.810260 3.353403 0.948114 7 41 47 46 N -3.279999 1.488513 -0.934198 3 42 47 50 48 47 CH -4.133478 1.300492 -2.103737 6 46 48 51 49 48 C -5.279121 0.361498 -1.810661 1 47 49 52 50 49 O -6.414890 0.570285 -2.204150 2 48 51 50 H -2.302564 1.197122 -0.944833 4 46 52 51 CH3 -3.306577 0.690623 -3.250861 7 47 53 52 N -4.904417 -0.700651 -1.084686 3 48 53 56 54 53 CH -5.869749 -1.725304 -0.697624 6 52 54 57 55 54 C -6.946653 -1.163836 0.199669 1 53 55 58 56 55 O -8.123809 -1.458913 0.074633 2 54 57 56 H -3.924503 -0.771768 -0.810627 4 52 58 57 CH3 -5.148747 -2.844807 0.075985 7 53 59 58 N -6.462837 -0.324204 1.125163 3 54 59 60 60 59 CH3 -7.347813 0.323354 2.089055 39 58 61 60 H -5.457692 -0.151091 1.135987 4 58 62 61 CH3 7.106132 12.850423 2.450872 7 62 63 62 C 6.699675 12.899637 0.997437 1 61 63 64 64 63 O 5.534855 12.837367 0.640057 2 62 65 64 N 7.722873 13.016866 0.140162 3 62 65 68 66 65 CH 7.493671 13.077775 -1.300448 6 64 66 69 67 66 C 6.865518 11.805753 -1.817638 1 65 67 70 68 67 O 5.963578 11.807033 -2.639163 2 66 69 68 H 8.666670 13.062269 0.524333 4 64 70 69 CH3 8.837941 13.268297 -2.027248 7 65 71 70 N 7.406405 10.705172 -1.277489 3 66 71 74 72 71 CH 6.934305 9.374782 -1.650029 6 70 72 75 73 72 C 5.488671 9.169928 -1.264959 1 71 73 76 74 73 O 4.687314 8.614633 -1.998358 2 72 75 74 H 8.157870 10.824819 -0.598236 4 70 76 75 CH3 7.771744 8.308829 -0.919250 7 71 77 76 N 5.202402 9.660083 -0.051123 3 72 77 80 78 77 CH 3.854877 9.559612 0.501762 6 76 78 81 79 78 C 2.854086 10.325085 -0.330448 1 77 79 82 80 79 O 1.747172 9.884796 -0.593669 2 78 81 80 H 5.954231 10.105486 0.474964 4 76 82 81 CH3 3.836818 10.152450 1.922964 7 77 83 82 N 3.319276 11.515444 -0.733245 3 78 83 86 84 83 CH 2.499503 12.406068 -1.549553 6 82 84 87 85 84 C 2.171446 11.788643 -2.887934 1 83 85 88 86 85 O 1.063373 11.867506 -3.392270 2 84 87 86 H 4.263319 11.780605 -0.452403 4 82 88 87 CH3 3.266644 13.715633 -1.810587 7 83 89 88 N 3.219277 11.160427 -3.438385 3 84 89 92 90 89 CH 3.103203 10.498643 -4.734598 6 88 90 93 91 90 C 2.111403 9.360868 -4.690997 1 89 91 94 92 91 O 1.309264 9.155799 -5.587056 2 90 93 92 H 4.100409 11.158481 -2.924576 4 88 94 93 CH3 4.470347 9.916199 -5.138674 7 89 95 94 N 2.218190 8.624190 -3.576770 3 90 95 98 96 95 CH 1.345388 7.476447 -3.347635 6 94 96 99 97 96 C -0.103170 7.890887 -3.247544 1 95 97 100 98 97 O -1.003698 7.259054 -3.775025 2 96 99 98 H 2.927580 8.889400 -2.893521 4 94 100 99 CH3 1.732099 6.792917 -2.022931 7 95 101 100 N -0.272819 9.008076 -2.527329 3 96 101 104 102 101 CH -1.603090 9.570868 -2.314621 6 100 102 105 103 102 C -2.239281 10.000583 -3.614891 1 101 103 106 104 103 O -3.413728 9.791546 -3.870581 2 102 105 104 H 0.555363 9.453465 -2.132181 4 100 106 105 CH3 -1.497361 10.812236 -1.409398 7 101 107 106 N -1.377938 10.623007 -4.431148 3 102 107 110 108 107 CH -1.802626 11.115169 -5.738442 6 106 108 111 109 108 C -2.246395 9.987700 -6.639543 1 107 109 112 110 109 O -3.233321 10.067855 -7.352248 2 108 111 110 H -0.416666 10.742612 -4.111695 4 106 112 111 CH3 -0.625035 11.831286 -6.425506 7 107 113 112 N -1.444087 8.917248 -6.561836 3 108 113 116 114 113 CH -1.705972 7.721859 -7.358114 6 112 114 117 115 114 C -3.024719 7.085802 -6.988736 1 113 115 118 116 115 O -3.798744 6.649061 -7.824526 2 114 117 116 H -0.644913 8.962681 -5.929653 4 112 118 117 CH3 -0.596171 6.683986 -7.107584 7 113 119 118 N -3.234195 7.060958 -5.665444 3 114 119 120 120 119 CH3 -4.454638 6.485307 -5.107997 39 118 121 120 H -2.515365 7.456310 -5.059324 4 118 122