# MolMeccano format (*.mlm). @Force_field AMBER-i @Temperature 298.15 @Pressure 0 @Table Atoms 243 str str double double double double str str str double str double double double str ID Element X Y Z Q Type Mol Res Qint Flag R* Epsilon Mass Comment 0 N 4.48966 20.00584 18.30220 -0.4617 N_amide___Ser 0 1 0.0000 - - - - 1 C 5.76326 20.14160 19.03523 0.0296 C_alpha___Ser 0 1 0.0000 - - - - 2 C 6.79431 19.01379 18.78382 0.5970 C_amide___Ser 0 1 0.0000 - - - - 3 O 7.98803 19.22010 19.03529 -0.5421 O_amide___Ser 0 1 0.0000 - - - - 4 C 5.48066 20.20572 20.55621 0.2735 C_beta____Ser 0 1 0.0000 - - - - 5 O 4.82210 21.40965 20.92818 -0.6541 O_H_______Ser 0 1 0.0000 - - - - 6 H 6.23193 21.08243 18.73482 0.0689 H_alpha___Ser 0 1 0.0000 - - - - 7 H 4.85513 19.36255 20.85062 0.0000 H_beta__1_Ser 0 1 0.0000 - - - - 8 H 6.42181 20.15528 21.10633 0.0000 H_beta__2_Ser 0 1 0.0000 - - - - 9 H 3.89551 21.33586 20.66598 0.4000 H_O_______Ser 0 1 0.0000 - - - - 10 N 6.35792 17.82987 18.32872 -0.4617 N_amide___Ala 0 2 0.0000 - - - - 11 C 7.10705 16.55612 18.36694 0.0296 C_alpha___Ala 0 2 0.0000 - - - - 12 C 7.48461 15.94024 16.99779 0.5970 C_amide___Ala 0 2 0.0000 - - - - 13 O 7.03845 16.37847 15.92969 -0.5421 O_amide___Ala 0 2 0.0000 - - - - 14 C 6.29294 15.54968 19.19548 0.0194 C_beta____Ala 0 2 0.0000 - - - - 15 H 5.38409 17.78990 18.06666 0.2889 H_amide___Ala 0 2 0.0000 - - - - 16 H 8.04296 16.71869 18.90454 0.0689 H_alpha___Ala 0 2 0.0000 - - - - 17 H 6.85733 14.63086 19.34861 0.0000 H_beta__1_Ala 0 2 0.0000 - - - - 18 H 6.06435 15.93928 20.18446 0.0000 H_beta__2_Ala 0 2 0.0000 - - - - 19 H 5.35090 15.29094 18.71615 0.0000 H_beta__3_Ala 0 2 0.0000 - - - - 20 N 8.31522 14.89127 17.04636 -0.4617 N_amide___Ala 0 3 0.0000 - - - - 21 C 8.83976 14.13211 15.90181 0.0296 C_alpha___Ala 0 3 0.0000 - - - - 22 C 8.58237 12.60876 16.00420 0.5970 C_amide___Ala 0 3 0.0000 - - - - 23 O 7.74869 12.15117 16.79607 -0.5421 O_amide___Ala 0 3 0.0000 - - - - 24 C 10.33687 14.48208 15.81298 0.0194 C_beta____Ala 0 3 0.0000 - - - - 25 H 8.57536 14.55074 17.96251 0.2889 H_amide___Ala 0 3 0.0000 - - - - 26 H 8.36201 14.47208 14.98470 0.0689 H_alpha___Ala 0 3 0.0000 - - - - 27 H 10.79373 14.03027 14.93628 0.0000 H_beta__1_Ala 0 3 0.0000 - - - - 28 H 10.48670 15.55603 15.70053 0.0000 H_beta__2_Ala 0 3 0.0000 - - - - 29 H 10.89598 14.14788 16.68876 0.0000 H_beta__3_Ala 0 3 0.0000 - - - - 30 N 9.25848 11.82812 15.15514 -0.4617 N_amide___Glu 0 4 0.0000 - - - - 31 C 8.97415 10.41290 14.85785 0.0296 C_alpha___Glu 0 4 0.0000 - - - - 32 C 10.21937 9.48632 14.85709 0.5970 C_amide___Glu 0 4 0.0000 - - - - 33 O 11.35647 9.93070 15.06057 -0.5421 O_amide___Glu 0 4 0.0000 - - - - 34 C 8.20139 10.38043 13.51474 0.0194 C_beta____Glu 0 4 0.0000 - - - - 35 C 7.44187 9.08895 13.15653 -0.2583 C_gamma___Glu 0 4 0.0000 - - - - 36 C 6.39967 9.33468 12.06098 1.0317 C_delta___Glu 0 4 0.0000 - - - - 37 O 5.18649 9.33087 12.38425 -0.8867 O_epsilon1Glu 0 4 -0.5000 - - - - 38 O 6.81733 9.53121 10.88806 -0.8867 O_epsilon2Glu 0 4 -0.5000 - - - - 39 H 9.96655 12.27468 14.58969 0.2889 H_amide___Glu 0 4 0.0000 - - - - 40 H 8.30327 10.02059 15.62122 0.0689 H_alpha___Glu 0 4 0.0000 - - - - 41 H 7.45550 11.17503 13.53860 0.0000 H_beta__1_Glu 0 4 0.0000 - - - - 42 H 8.86752 10.64819 12.69183 0.0000 H_beta__2_Glu 0 4 0.0000 - - - - 43 H 8.13099 8.32090 12.82022 0.0000 H_gamma_1_Glu 0 4 0.0000 - - - - 44 H 6.95798 8.68780 14.04149 0.0000 H_gamma_2_Glu 0 4 0.0000 - - - - 45 N 10.00563 8.18065 14.64168 -0.4617 N_amide___Ala 0 5 0.0000 - - - - 46 C 11.03197 7.12767 14.48963 0.0296 C_alpha___Ala 0 5 0.0000 - - - - 47 C 11.14913 6.58293 13.04081 0.5970 C_amide___Ala 0 5 0.0000 - - - - 48 O 10.27912 6.81579 12.18936 -0.5421 O_amide___Ala 0 5 0.0000 - - - - 49 C 10.74524 6.00270 15.49744 0.0194 C_beta____Ala 0 5 0.0000 - - - - 50 H 9.04801 7.91723 14.44903 0.2889 H_amide___Ala 0 5 0.0000 - - - - 51 H 12.00255 7.54942 14.75633 0.0689 H_alpha___Ala 0 5 0.0000 - - - - 52 H 10.73451 6.38300 16.51816 0.0000 H_beta__1_Ala 0 5 0.0000 - - - - 53 H 9.78429 5.52699 15.31032 0.0000 H_beta__2_Ala 0 5 0.0000 - - - - 54 H 11.50283 5.22753 15.44463 0.0000 H_beta__3_Ala 0 5 0.0000 - - - - 55 N 12.23177 5.84967 12.74886 -0.4617 N_amide___Tyr 0 6 0.0000 - - - - 56 C 12.63517 5.38933 11.39805 0.0296 C_alpha___Tyr 0 6 0.0000 - - - - 57 C 12.75378 3.84504 11.26169 0.5970 C_amide___Tyr 0 6 0.0000 - - - - 58 O 13.04844 3.13465 12.23164 -0.5421 O_amide___Tyr 0 6 0.0000 - - - - 59 C 13.95647 6.06668 10.93242 0.0138 C_beta____Tyr 0 6 0.0000 - - - - 60 C 14.36422 7.35593 11.64686 0.1476 C_gamma___Tyr 0 6 0.0000 - - - - 61 C 13.58203 8.53077 11.53389 -0.2029 C_delta_1_Tyr 0 6 0.0000 - - - - 62 C 15.49907 7.35311 12.49605 -0.2029 C_delta_2_Tyr 0 6 0.0000 - - - - 63 C 13.93223 9.69401 12.25849 -0.2247 C_epsilon1Tyr 0 6 0.0000 - - - - 64 C 15.86782 8.52091 13.20196 -0.2247 C_epsilon2Tyr 0 6 0.0000 - - - - 65 C 15.08306 9.69632 13.09197 0.4255 C_zeta____Tyr 0 6 0.0000 - - - - 66 O 15.45027 10.79957 13.80230 -0.6123 O_eta_____Tyr 0 6 0.0000 - - - - 67 H 12.89562 5.70576 13.49415 0.2889 H_amide___Tyr 0 6 0.0000 - - - - 68 H 11.86831 5.71728 10.69499 0.0689 H_alpha___Tyr 0 6 0.0000 - - - - 69 H 14.77208 5.35253 11.02736 0.0000 H_beta__1_Tyr 0 6 0.0000 - - - - 70 H 13.91446 6.24927 9.86016 0.0000 H_beta__2_Tyr 0 6 0.0000 - - - - 71 H 12.69939 8.53208 10.90879 0.1300 H_delta_1_Tyr 0 6 0.0000 - - - - 72 H 16.08213 6.44389 12.61253 0.1300 H_delta_2_Tyr 0 6 0.0000 - - - - 73 H 13.32842 10.58544 12.18259 0.1300 H_epsilon1Tyr 0 6 0.0000 - - - - 74 H 16.74980 8.51562 13.83302 0.1300 H_epsilon2Tyr 0 6 0.0000 - - - - 75 H 14.83214 11.52878 13.69537 0.3800 H_eta_____Tyr 0 6 0.0000 - - - - 76 N 12.54154 3.32040 10.04540 -0.4617 N_amide___Ala 0 7 0.0000 - - - - 77 C 12.55454 1.88468 9.68466 0.0296 C_alpha___Ala 0 7 0.0000 - - - - 78 C 13.91350 1.14590 9.77335 0.5970 C_amide___Ala 0 7 0.0000 - - - - 79 O 14.98254 1.73257 9.56788 -0.5421 O_amide___Ala 0 7 0.0000 - - - - 80 C 11.95619 1.70934 8.27732 0.0194 C_beta____Ala 0 7 0.0000 - - - - 81 H 12.29574 3.96448 9.30810 0.2889 H_amide___Ala 0 7 0.0000 - - - - 82 H 11.87533 1.37842 10.37064 0.0689 H_alpha___Ala 0 7 0.0000 - - - - 83 H 11.86518 0.65880 8.00179 0.0000 H_beta__1_Ala 0 7 0.0000 - - - - 84 H 10.96427 2.14920 8.19094 0.0000 H_beta__2_Ala 0 7 0.0000 - - - - 85 H 12.58884 2.15996 7.51590 0.0000 H_beta__3_Ala 0 7 0.0000 - - - - 86 N 13.85028 -0.17062 10.03000 -0.4617 N_amide___Lys 0 8 0.0000 - - - - 87 C 15.00482 -1.08375 10.12019 0.0512 C_alpha___Lys 0 8 0.0000 - - - - 88 C 15.66172 -1.41818 8.75238 0.5970 C_amide___Lys 0 8 0.0000 - - - - 89 O 15.09442 -1.18731 7.67885 -0.5421 O_amide___Lys 0 8 0.0000 - - - - 90 C 14.63345 -2.33398 10.96706 -0.0621 C_beta____Lys 0 8 0.0000 - - - - 91 C 15.79708 -3.24785 11.41841 -0.0020 C_gamma___Lys 0 8 0.0000 - - - - 92 C 16.86762 -2.57772 12.30276 -0.0019 C_delta___Lys 0 8 0.0000 - - - - 93 C 18.12036 -3.44379 12.49931 0.2731 C_epsilon_Lys 0 8 0.0000 - - - - 94 N 19.16785 -2.75128 13.27288 -0.5467 N_zeta____Lys 0 8 0.0000 - - - - 95 H 12.93214 -0.57102 10.15719 0.2889 H_amide___Lys 0 8 0.0000 - - - - 96 H 15.76141 -0.53739 10.67956 0.0689 H_alpha___Lys 0 8 0.0000 - - - - 97 H 14.10041 -2.01335 11.86245 0.0300 H_beta__1_Lys 0 8 0.0000 - - - - 98 H 13.92481 -2.94936 10.41474 0.0300 H_beta__2_Lys 0 8 0.0000 - - - - 99 H 15.38657 -4.09448 11.95836 0.0300 H_gamma_1_Lys 0 8 0.0000 - - - - 100 H 16.26421 -3.68684 10.54305 0.0300 H_gamma_2_Lys 0 8 0.0000 - - - - 101 H 17.18112 -1.63978 11.85622 0.0300 H_delta_1_Lys 0 8 0.0000 - - - - 102 H 16.43571 -2.31796 13.27044 0.0300 H_delta_2_Lys 0 8 0.0000 - - - - 103 H 17.84687 -4.36785 13.00713 0.0300 H_epsilon1Lys 0 8 0.0000 - - - - 104 H 18.51992 -3.69500 11.51976 0.0300 H_epsilon2Lys 0 8 0.0000 - - - - 105 H 19.98873 -3.33872 13.32758 0.3658 H_zeta__1_Lys 0 8 0.3334 - - - - 106 H 18.82357 -2.55707 14.20220 0.3658 H_zeta__2_Lys 0 8 0.3333 - - - - 107 H 19.41334 -1.88722 12.81427 0.3658 H_zeta__3_Lys 0 8 0.3333 - - - - 108 N 16.89525 -1.93585 8.79300 -0.4617 N_amide___Arg 0 9 0.0000 - - - - 109 C 17.86378 -1.91843 7.68648 0.0512 C_alpha___Arg 0 9 0.0000 - - - - 110 C 18.29288 -3.34571 7.25208 0.5970 C_amide___Arg 0 9 0.0000 - - - - 111 O 18.86415 -4.09797 8.05425 -0.5421 O_amide___Arg 0 9 0.0000 - - - - 112 C 19.06124 -1.05050 8.14563 -0.0622 C_beta____Arg 0 9 0.0000 - - - - 113 C 18.72106 0.42780 8.47918 0.0584 C_gamma___Arg 0 9 0.0000 - - - - 114 C 19.79151 1.18456 9.28192 0.0270 C_delta___Arg 0 9 0.0000 - - - - 115 N 19.60313 1.00148 10.74094 -0.3234 N_epsilon_Arg 0 9 0.0000 - - - - 116 C 19.07624 1.87819 11.59560 0.5911 C_zeta____Arg 0 9 0.0000 - - - - 117 N 18.74690 3.09932 11.23507 -0.8141 N_eta___1_Arg 0 9 0.0000 - - - - 118 N 18.84286 1.56210 12.85232 -0.8141 N_eta___2_Arg 0 9 0.0000 - - - - 119 H 17.25524 -2.19726 9.69923 0.2889 H_amide___Arg 0 9 0.0000 - - - - 120 H 17.41694 -1.41712 6.82620 0.0689 H_alpha___Arg 0 9 0.0000 - - - - 121 H 19.53628 -1.51842 9.00904 0.0300 H_beta__1_Arg 0 9 0.0000 - - - - 122 H 19.82467 -1.05403 7.37176 0.0300 H_beta__2_Arg 0 9 0.0000 - - - - 123 H 18.52966 0.96043 7.54882 0.0300 H_gamma_1_Arg 0 9 0.0000 - - - - 124 H 17.77891 0.49530 9.02629 0.0300 H_gamma_2_Arg 0 9 0.0000 - - - - 125 H 20.78351 0.84423 8.97618 0.0761 H_delta_1_Arg 0 9 0.0000 - - - - 126 H 19.72784 2.24113 9.01860 0.0761 H_delta_2_Arg 0 9 0.0000 - - - - 127 H 19.82077 0.09166 11.11130 0.3069 H_epsilon_Arg 0 9 0.0000 - - - - 128 H 18.90887 3.38713 10.28236 0.4390 H_eta__11_Arg 0 9 0.2500 - - - - 129 H 18.36745 3.74261 11.91776 0.4390 H_eta__12_Arg 0 9 0.2500 - - - - 130 H 19.07992 0.64932 13.21195 0.4390 H_eta__21_Arg 0 9 0.2500 - - - - 131 H 18.43344 2.24723 13.47289 0.4390 H_eta__22_Arg 0 9 0.2500 - - - - 132 N 18.01743 -3.71974 5.99225 -0.4617 N_amide___Ile 0 10 0.0000 - - - - 133 C 18.29722 -5.04009 5.37842 0.0296 C_alpha___Ile 0 10 0.0000 - - - - 134 C 19.26771 -4.99429 4.16122 0.5970 C_amide___Ile 0 10 0.0000 - - - - 135 O 19.57252 -3.92876 3.61076 -0.5421 O_amide___Ile 0 10 0.0000 - - - - 136 C 16.97766 -5.78767 5.01380 0.0314 C_beta____Ile 0 10 0.0000 - - - - 137 C 16.29727 -5.29738 3.70431 0.0120 C_gamma_1_Ile 0 10 0.0000 - - - - 138 C 15.98220 -5.90699 6.19073 -0.0120 C_gamma_2_Ile 0 10 0.0000 - - - - 139 C 15.59403 -3.93232 3.75955 -0.0120 C_delta_1_Ile 0 10 0.0000 - - - - 140 H 17.53233 -3.04927 5.41665 0.2889 H_amide___Ile 0 10 0.0000 - - - - 141 H 18.78921 -5.65310 6.13134 0.0689 H_alpha___Ile 0 10 0.0000 - - - - 142 H 17.27910 -6.81175 4.79818 0.0000 H_beta____Ile 0 10 0.0000 - - - - 143 H 17.02521 -5.26816 2.89593 0.0000 H_gamma11_Ile 0 10 0.0000 - - - - 144 H 15.57212 -6.03993 3.37537 0.0000 H_gamma12_Ile 0 10 0.0000 - - - - 145 H 15.13935 -6.54899 5.93825 0.0000 H_gamma21_Ile 0 10 0.0000 - - - - 146 H 16.45505 -6.33682 7.06953 0.0000 H_gamma22_Ile 0 10 0.0000 - - - - 147 H 15.57382 -4.94565 6.49555 0.0000 H_gamma23_Ile 0 10 0.0000 - - - - 148 H 16.29724 -3.13079 3.97468 0.0000 H_delta11_Ile 0 10 0.0000 - - - - 149 H 15.12210 -3.69814 2.80148 0.0000 H_delta12_Ile 0 10 0.0000 - - - - 150 H 14.81448 -3.91066 4.51812 0.0000 H_delta13_Ile 0 10 0.0000 - - - - 151 N 19.72701 -6.17707 3.72854 -0.4617 N_amide___Ala 0 11 0.0000 - - - - 152 C 20.52305 -6.45337 2.51288 0.0296 C_alpha___Ala 0 11 0.0000 - - - - 153 C 20.01265 -7.69191 1.73263 0.5970 C_amide___Ala 0 11 0.0000 - - - - 154 O 19.40102 -8.59363 2.31781 -0.5421 O_amide___Ala 0 11 0.0000 - - - - 155 C 21.99777 -6.66107 2.89618 0.0194 C_beta____Ala 0 11 0.0000 - - - - 156 H 19.39833 -6.99138 4.23016 0.2889 H_amide___Ala 0 11 0.0000 - - - - 157 H 20.46290 -5.58461 1.84643 0.0689 H_alpha___Ala 0 11 0.0000 - - - - 158 H 22.12469 -7.51335 3.56456 0.0000 H_beta__1_Ala 0 11 0.0000 - - - - 159 H 22.61389 -6.83217 2.01620 0.0000 H_beta__2_Ala 0 11 0.0000 - - - - 160 H 22.40624 -5.79082 3.40082 0.0000 H_beta__3_Ala 0 11 0.0000 - - - - 161 N 20.26088 -7.74437 0.41596 -0.4617 N_amide___Glu 0 12 0.0000 - - - - 162 C 19.69854 -8.75478 -0.50320 0.0296 C_alpha___Glu 0 12 0.0000 - - - - 163 C 20.04973 -10.21391 -0.13480 0.5970 C_amide___Glu 0 12 0.0000 - - - - 164 O 19.13912 -11.00579 0.13775 -0.5421 O_amide___Glu 0 12 0.0000 - - - - 165 C 20.07629 -8.46316 -1.97121 0.0194 C_beta____Glu 0 12 0.0000 - - - - 166 C 19.40161 -7.22855 -2.60014 -0.2583 C_gamma___Glu 0 12 0.0000 - - - - 167 C 20.28909 -5.97968 -2.57767 1.0317 C_delta___Glu 0 12 0.0000 - - - - 168 O 20.53083 -5.40763 -3.65979 -0.8867 O_epsilon1Glu 0 12 -0.5000 - - - - 169 O 20.74269 -5.59453 -1.45919 -0.8867 O_epsilon2Glu 0 12 -0.5000 - - - - 170 H 20.75976 -6.96573 -0.00013 0.2889 H_amide___Glu 0 12 0.0000 - - - - 171 H 18.61250 -8.66278 -0.44512 0.0689 H_alpha___Glu 0 12 0.0000 - - - - 172 H 21.15542 -8.40840 -2.08524 0.0000 H_beta__1_Glu 0 12 0.0000 - - - - 173 H 19.78102 -9.32798 -2.56499 0.0000 H_beta__2_Glu 0 12 0.0000 - - - - 174 H 19.14182 -7.46185 -3.63200 0.0000 H_gamma_1_Glu 0 12 0.0000 - - - - 175 H 18.44487 -7.02319 -2.12060 0.0000 H_gamma_2_Glu 0 12 0.0000 - - - - 176 N 21.33907 -10.57894 -0.15103 -0.4617 N_amide___Ala 0 13 0.0000 - - - - 177 C 21.84262 -11.89000 0.29594 0.0296 C_alpha___Ala 0 13 0.0000 - - - - 178 C 23.28031 -11.80344 0.87180 0.5970 C_amide___Ala 0 13 0.0000 - - - - 179 O 23.44939 -11.92767 2.09104 -0.5421 O_amide___Ala 0 13 0.0000 - - - - 180 C 21.68764 -12.94956 -0.81650 0.0194 C_beta____Ala 0 13 0.0000 - - - - 181 H 22.01418 -9.87210 -0.40299 0.2889 H_amide___Ala 0 13 0.0000 - - - - 182 H 21.20328 -12.21322 1.11940 0.0689 H_alpha___Ala 0 13 0.0000 - - - - 183 H 20.63767 -13.14831 -1.02164 0.0000 H_beta__1_Ala 0 13 0.0000 - - - - 184 H 22.12669 -12.64172 -1.75884 0.0000 H_beta__2_Ala 0 13 0.0000 - - - - 185 H 22.13432 -13.89621 -0.52659 0.0000 H_beta__3_Ala 0 13 0.0000 - - - - 186 N 24.34944 -11.54524 0.11259 -0.4617 N_amide___Met 0 14 0.0000 - - - - 187 C 24.43969 -11.32608 -1.34891 0.0296 C_alpha___Met 0 14 0.0000 - - - - 188 C 24.70899 -12.59775 -2.20004 0.5970 C_amide___Met 0 14 0.0000 - - - - 189 O 24.45449 -12.60314 -3.41029 -0.5421 O_amide___Met 0 14 0.0000 - - - - 190 C 25.56507 -10.29324 -1.63500 0.0192 C_beta____Met 0 14 0.0000 - - - - 191 C 25.14543 -9.11773 -2.51921 0.1675 C_gamma___Met 0 14 0.0000 - - - - 192 S 24.16821 -7.84542 -1.66420 -0.3348 S_delta___Met 0 14 0.0000 - - - - 193 C 23.67839 -6.82834 -3.08742 0.1675 C_epsilon_Met 0 14 0.0000 - - - - 194 H 25.21436 -11.47318 0.62600 0.2889 H_amide___Met 0 14 0.0000 - - - - 195 H 23.49342 -10.89982 -1.68836 0.0689 H_alpha___Met 0 14 0.0000 - - - - 196 H 26.00838 -9.89728 -0.72503 0.0000 H_beta__1_Met 0 14 0.0000 - - - - 197 H 26.39998 -10.79070 -2.12485 0.0000 H_beta__2_Met 0 14 0.0000 - - - - 198 H 26.04750 -8.64555 -2.90304 0.0000 H_gamma_1_Met 0 14 0.0000 - - - - 199 H 24.58021 -9.49677 -3.36802 0.0000 H_gamma_2_Met 0 14 0.0000 - - - - 200 H 22.94009 -7.37108 -3.66649 0.0000 H_epsilon1Met 0 14 0.0000 - - - - 201 H 23.24001 -5.90084 -2.73268 0.0000 H_epsilon2Met 0 14 0.0000 - - - - 202 H 24.55281 -6.61162 -3.69780 0.0000 H_epsilon3Met 0 14 0.0000 - - - - 203 N 25.23381 -13.66624 -1.58088 -0.4617 N_amide___Ala 0 15 0.0000 - - - - 204 C 25.83383 -14.83841 -2.23831 0.0296 C_alpha___Ala 0 15 0.0000 - - - - 205 C 24.88235 -16.03564 -2.45193 0.5970 C_amide___Ala 0 15 0.0000 - - - - 206 O 23.98246 -16.29146 -1.64022 -0.5421 O_amide___Ala 0 15 0.0000 - - - - 207 C 27.07303 -15.25962 -1.42366 0.0194 C_beta____Ala 0 15 0.0000 - - - - 208 H 25.35629 -13.58882 -0.57993 0.2889 H_amide___Ala 0 15 0.0000 - - - - 209 H 26.18544 -14.51826 -3.22412 0.0689 H_alpha___Ala 0 15 0.0000 - - - - 210 H 26.80489 -15.55991 -0.40954 0.0000 H_beta__1_Ala 0 15 0.0000 - - - - 211 H 27.58758 -16.09612 -1.89200 0.0000 H_beta__2_Ala 0 15 0.0000 - - - - 212 H 27.80552 -14.46029 -1.33064 0.0000 H_beta__3_Ala 0 15 0.0000 - - - - 213 N 25.11118 -16.79428 -3.53347 -0.4617 N_amide___Lys 0 16 0.0000 - - - - 214 C 24.47084 -18.09048 -3.84006 0.0512 C_alpha___Lys 0 16 0.0000 - - - - 215 C 25.31694 -19.32883 -3.44826 0.5970 C_amide___Lys 0 16 0.0000 - - - - 216 O 26.49404 -19.22604 -3.07957 -0.5421 O_amide___Lys 0 16 0.0000 - - - - 217 C 24.06263 -18.11925 -5.33328 -0.0621 C_beta____Lys 0 16 0.0000 - - - - 218 C 22.80262 -17.28402 -5.62525 -0.0020 C_gamma___Lys 0 16 0.0000 - - - - 219 C 22.23854 -17.37481 -7.05121 -0.0019 C_delta___Lys 0 16 0.0000 - - - - 220 C 21.80382 -18.79069 -7.45448 0.2731 C_epsilon_Lys 0 16 0.0000 - - - - 221 N 21.20169 -18.83151 -8.79755 -0.5467 N_zeta____Lys 0 16 0.0000 - - - - 222 H 25.85951 -16.51100 -4.14636 0.2889 H_amide___Lys 0 16 0.0000 - - - - 223 H 23.55154 -18.16502 -3.25889 0.0689 H_alpha___Lys 0 16 0.0000 - - - - 224 H 24.89616 -17.81554 -5.96457 0.0300 H_beta__1_Lys 0 16 0.0000 - - - - 225 H 23.85177 -19.14573 -5.61935 0.0300 H_beta__2_Lys 0 16 0.0000 - - - - 226 H 22.02227 -17.58784 -4.92880 0.0300 H_gamma_1_Lys 0 16 0.0000 - - - - 227 H 23.00552 -16.24042 -5.39544 0.0300 H_gamma_2_Lys 0 16 0.0000 - - - - 228 H 21.37937 -16.70909 -7.12425 0.0300 H_delta_1_Lys 0 16 0.0000 - - - - 229 H 22.96738 -16.99336 -7.76214 0.0300 H_delta_2_Lys 0 16 0.0000 - - - - 230 H 22.67106 -19.44711 -7.43888 0.0300 H_epsilon1Lys 0 16 0.0000 - - - - 231 H 21.07849 -19.15733 -6.73298 0.0300 H_epsilon2Lys 0 16 0.0000 - - - - 232 H 21.87639 -18.51176 -9.47659 0.3658 H_zeta__1_Lys 0 16 0.3334 - - - - 233 H 20.38898 -18.23265 -8.82179 0.3658 H_zeta__2_Lys 0 16 0.3333 - - - - 234 H 20.92604 -19.78028 -9.01061 0.3658 H_zeta__3_Lys 0 16 0.3333 - - - - 235 N 24.71649 -20.52355 -3.54488 -0.4617 N_amide___Gly 0 17 0.0000 - - - - 236 C 25.33830 -21.82356 -3.25268 -0.0199 C_alpha___Gly 0 17 0.0000 - - - - 237 C 26.70914 -22.01181 -3.91415 0.5970 C_amide___Gly 0 17 0.0000 - - - - 238 O 26.96336 -23.02988 -4.58404 -0.5421 O_amide___Gly 0 17 0.0000 - - - - 239 H 23.74744 -20.52810 -3.83586 0.2889 H_amide___Gly 0 17 0.0000 - - - - 240 H 25.48349 -21.91208 -2.17622 0.0689 H_alpha_1_Gly 0 17 0.0000 - - - - 241 H 24.67208 -22.62451 -3.58148 0.0689 H_alpha_2_Gly 0 17 0.0000 - - - - 242 H 3.65446 20.36374 18.75373 0.2889 H_amide___Ser 0 1 0.0000 - - - - @Table Bonds 243 str str str double double str ID1 ID2 Order R-eqv Force Comment 0 1 s - - 1 4 s - - 1 2 s - - 1 6 s - - 2 10 s - - 2 3 s - - 4 7 s - - 4 8 s - - 4 5 s - - 5 9 s - - 10 15 s - - 10 11 s - - 11 12 s - - 11 16 s - - 11 14 s - - 12 20 s - - 12 13 s - - 14 19 s - - 14 17 s - - 14 18 s - - 20 21 s - - 20 25 s - - 21 24 s - - 21 26 s - - 21 22 s - - 22 23 s - - 22 30 s - - 24 29 s - - 24 27 s - - 24 28 s - - 30 31 s - - 30 39 s - - 31 32 s - - 31 34 s - - 31 40 s - - 32 33 s - - 32 45 s - - 34 35 s - - 34 42 s - - 34 41 s - - 35 36 s - - 35 44 s - - 35 43 s - - 36 37 s - - 36 38 s - - 45 46 s - - 45 50 s - - 46 47 s - - 46 51 s - - 46 49 s - - 47 55 s - - 47 48 s - - 49 52 s - - 49 53 s - - 49 54 s - - 55 56 s - - 55 67 s - - 56 57 s - - 56 59 s - - 56 68 s - - 57 58 s - - 57 76 s - - 59 60 s - - 59 69 s - - 59 70 s - - 60 62 s - - 60 61 s - - 61 63 s - - 61 71 s - - 62 64 s - - 62 72 s - - 63 65 s - - 63 73 s - - 64 74 s - - 64 65 s - - 65 66 s - - 66 75 s - - 76 77 s - - 76 81 s - - 77 82 s - - 77 78 s - - 77 80 s - - 78 79 s - - 78 86 s - - 80 84 s - - 80 83 s - - 80 85 s - - 86 87 s - - 86 95 s - - 87 88 s - - 87 96 s - - 87 90 s - - 88 89 s - - 88 108 s - - 90 91 s - - 90 98 s - - 90 97 s - - 91 92 s - - 91 99 s - - 91 100 s - - 92 101 s - - 92 102 s - - 92 93 s - - 93 104 s - - 93 103 s - - 93 94 s - - 94 105 s - - 94 106 s - - 94 107 s - - 108 109 s - - 108 119 s - - 109 120 s - - 109 110 s - - 109 112 s - - 110 132 s - - 110 111 s - - 112 121 s - - 112 113 s - - 112 122 s - - 113 123 s - - 113 124 s - - 113 114 s - - 114 126 s - - 114 125 s - - 114 115 s - - 115 127 s - - 115 116 s - - 116 117 s - - 116 118 s - - 117 128 s - - 117 129 s - - 118 130 s - - 118 131 s - - 132 133 s - - 132 140 s - - 133 134 s - - 133 136 s - - 133 141 s - - 134 135 s - - 134 151 s - - 136 138 s - - 136 142 s - - 136 137 s - - 137 143 s - - 137 144 s - - 137 139 s - - 138 145 s - - 138 146 s - - 138 147 s - - 139 150 s - - 139 148 s - - 139 149 s - - 151 152 s - - 151 156 s - - 152 157 s - - 152 155 s - - 152 153 s - - 153 154 s - - 153 161 s - - 155 158 s - - 155 159 s - - 155 160 s - - 161 162 s - - 161 170 s - - 162 171 s - - 162 163 s - - 162 165 s - - 163 164 s - - 163 176 s - - 165 173 s - - 165 166 s - - 165 172 s - - 166 175 s - - 166 167 s - - 166 174 s - - 167 169 s - - 167 168 s - - 176 177 s - - 176 181 s - - 177 178 s - - 177 182 s - - 177 180 s - - 178 186 s - - 178 179 s - - 180 184 s - - 180 183 s - - 180 185 s - - 186 187 s - - 186 194 s - - 187 188 s - - 187 195 s - - 187 190 s - - 188 189 s - - 188 203 s - - 190 197 s - - 190 196 s - - 190 191 s - - 191 192 s - - 191 198 s - - 191 199 s - - 192 193 s - - 193 201 s - - 193 200 s - - 193 202 s - - 203 204 s - - 203 208 s - - 204 205 s - - 204 209 s - - 204 207 s - - 205 206 s - - 205 213 s - - 207 211 s - - 207 212 s - - 207 210 s - - 213 214 s - - 213 222 s - - 214 215 s - - 214 223 s - - 214 217 s - - 215 216 s - - 215 235 s - - 217 225 s - - 217 218 s - - 217 224 s - - 218 226 s - - 218 219 s - - 218 227 s - - 219 220 s - - 219 229 s - - 219 228 s - - 220 231 s - - 220 230 s - - 220 221 s - - 221 232 s - - 221 234 s - - 221 233 s - - 235 236 s - - 235 239 s - - 236 241 s - - 236 240 s - - 236 237 s - - 237 238 s - - 0 242 s - - @Table Residues 17 str str str str str ID Alias Short Name Comment 1 - - - 2 - - - 3 - - - 4 - - - 5 - - - 6 - - - 7 - - - 8 - - - 9 - - - 10 - - - 11 - - - 12 - - - 13 - - - 14 - - - 15 - - - 16 - - - 17 - - - @End