# MolMeccano format (*.mlm). @Force_field AMBER-i @Temperature 311.09 @Pressure 0 @Table Atoms 301 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 -4.72906 -7.86378 -7.54891 -0.4617 N_amide___Asn 0 1 0.0000 - - - - 1 C -3.76932 -6.80016 -7.47124 0.0512 C_alpha___Asn 0 1 0.0000 - - - - 2 C -4.29897 -5.61313 -6.63140 0.5970 C_amide___Asn 0 1 0.0000 - - - - 3 O -4.01188 -4.42745 -6.79479 -0.5421 O_amide___Asn 0 1 0.0000 - - - - 4 C -3.26932 -6.45623 -8.93611 -0.0846 C_beta____Asn 0 1 0.0000 - - - - 5 C -2.43531 -5.15221 -9.08684 0.7946 C_gamma___Asn 0 1 0.0000 - - - - 6 O -2.76416 -4.14238 -9.80132 -0.6243 O_delta_1_Asn 0 1 0.0000 - - - - 7 N -1.32073 -5.13815 -8.38512 -0.9943 N_delta_2_Asn 0 1 0.0000 - - - - 8 H -2.88461 -7.05461 -6.83410 0.0689 H_alpha___Asn 0 1 0.0000 - - - - 9 H -2.72597 -7.24502 -9.39834 0.0300 H_beta_1__Asn 0 1 0.0000 - - - - 10 H -4.20498 -6.40840 -9.63690 0.0300 H_beta_2__Asn 0 1 0.0000 - - - - 11 H -0.97845 -5.95114 -7.97628 0.4232 H_delta21_Asn 0 1 0.0000 - - - - 12 H -0.71071 -4.35811 -8.51203 0.4232 H_delta22_Asn 0 1 0.0000 - - - - 13 N -5.03171 -5.89146 -5.56954 -0.4617 N_amide___Leu 0 2 0.0000 - - - - 14 C -5.68377 -4.93237 -4.66275 0.0296 C_alpha___Leu 0 2 0.0000 - - - - 15 C -4.64737 -4.10594 -3.81337 0.5970 C_amide___Leu 0 2 0.0000 - - - - 16 O -4.86341 -2.90866 -3.62228 -0.5421 O_amide___Leu 0 2 0.0000 - - - - 17 C -6.82981 -5.59200 -3.89675 0.0194 C_beta____Leu 0 2 0.0000 - - - - 18 C -7.55832 -4.84244 -2.74110 0.0240 C_gamma___Leu 0 2 0.0000 - - - - 19 C -6.84109 -4.85508 -1.35368 -0.0120 C_delta_1_Leu 0 2 0.0000 - - - - 20 C -8.10053 -3.48109 -3.22206 -0.0120 C_delta_2_Leu 0 2 0.0000 - - - - 21 H -5.26351 -6.88378 -5.37343 0.2889 H_amide___Leu 0 2 0.0000 - - - - 22 H -6.12951 -4.21296 -5.41911 0.0689 H_alpha___Leu 0 2 0.0000 - - - - 23 H -7.54782 -6.07749 -4.57566 0.0000 H_beta__1_Leu 0 2 0.0000 - - - - 24 H -6.37215 -6.45870 -3.36444 0.0000 H_beta__2_Leu 0 2 0.0000 - - - - 25 H -8.41887 -5.53254 -2.67078 0.0000 H_gamma___Leu 0 2 0.0000 - - - - 26 H -6.45879 -5.88442 -1.14059 0.0000 H_delta11_Leu 0 2 0.0000 - - - - 27 H -6.01135 -4.18349 -1.31953 0.0000 H_delta12_Leu 0 2 0.0000 - - - - 28 H -7.60598 -4.60104 -0.55869 0.0000 H_delta13_Leu 0 2 0.0000 - - - - 29 H -8.71239 -2.89326 -2.45877 0.0000 H_delta21_Leu 0 2 0.0000 - - - - 30 H -7.30818 -2.89925 -3.68822 0.0000 H_delta22_Leu 0 2 0.0000 - - - - 31 H -8.88297 -3.67337 -3.94089 0.0000 H_delta23_Leu 0 2 0.0000 - - - - 32 N -3.65422 -4.73130 -3.30510 -0.4617 N_amide___Tyr 0 3 0.0000 - - - - 33 C -2.47847 -4.04529 -2.75886 0.0296 C_alpha___Tyr 0 3 0.0000 - - - - 34 C -1.80623 -2.96539 -3.58867 0.5970 C_amide___Tyr 0 3 0.0000 - - - - 35 O -0.97064 -2.21012 -3.13224 -0.5421 O_amide___Tyr 0 3 0.0000 - - - - 36 C -1.50130 -5.20327 -2.40235 0.0138 C_beta____Tyr 0 3 0.0000 - - - - 37 C -0.72678 -5.80754 -3.45225 0.1476 C_gamma___Tyr 0 3 0.0000 - - - - 38 C 0.61179 -5.37199 -3.71389 -0.2029 C_delta_1_Tyr 0 3 0.0000 - - - - 39 C -1.30790 -6.81500 -4.27772 -0.2029 C_delta_2_Tyr 0 3 0.0000 - - - - 40 C 1.21624 -5.77300 -4.89020 -0.2247 C_epsilon1Tyr 0 3 0.0000 - - - - 41 C -0.65494 -7.21983 -5.45874 -0.2247 C_epsilon2Tyr 0 3 0.0000 - - - - 42 C 0.61163 -6.62582 -5.78265 0.4255 C_zeta____Tyr 0 3 0.0000 - - - - 43 O 1.30742 -7.10790 -6.85281 -0.6123 O_eta_____Tyr 0 3 0.0000 - - - - 44 H -3.50619 -5.72544 -3.52919 0.2889 H_amide___Tyr 0 3 0.0000 - - - - 45 H -2.77441 -3.58687 -1.86258 0.0689 H_alpha___Tyr 0 3 0.0000 - - - - 46 H -0.91303 -4.73598 -1.58043 0.0000 H_beta__1_Tyr 0 3 0.0000 - - - - 47 H -1.82477 -6.09579 -1.74381 0.0000 H_beta__2_Tyr 0 3 0.0000 - - - - 48 H 1.03402 -4.52655 -3.12447 0.1300 H_delta_1_Tyr 0 3 0.0000 - - - - 49 H -2.24825 -7.31777 -4.12839 0.1300 H_delta_2_Tyr 0 3 0.0000 - - - - 50 H 2.16662 -5.31531 -5.28218 0.1300 H_epsilon1Tyr 0 3 0.0000 - - - - 51 H -1.03999 -7.96626 -6.12289 0.1300 H_epsilon2Tyr 0 3 0.0000 - - - - 52 H 0.91379 -7.89345 -7.25650 0.3800 H_eta_____Tyr 0 3 0.0000 - - - - 53 N -2.21725 -2.77923 -4.83638 -0.4617 N_amide___Ile 0 4 0.0000 - - - - 54 C -1.91038 -1.58995 -5.64786 0.0296 C_alpha___Ile 0 4 0.0000 - - - - 55 C -1.96261 -0.25111 -4.87492 0.5970 C_amide___Ile 0 4 0.0000 - - - - 56 O -1.07530 0.53944 -5.07625 -0.5421 O_amide___Ile 0 4 0.0000 - - - - 57 C -2.84936 -1.48584 -6.89255 0.0314 C_beta____Ile 0 4 0.0000 - - - - 58 C -2.37199 -0.49950 -7.92890 0.0120 C_gamma_1_Ile 0 4 0.0000 - - - - 59 C -4.29733 -1.23177 -6.52271 -0.0120 C_gamma_2_Ile 0 4 0.0000 - - - - 60 C -3.06720 -0.37117 -9.25175 -0.0120 C_delta_1_Ile 0 4 0.0000 - - - - 61 H -2.75693 -3.58168 -5.25942 0.2889 H_amide___Ile 0 4 0.0000 - - - - 62 H -0.88708 -1.76073 -6.14838 0.0689 H_alpha___Ile 0 4 0.0000 - - - - 63 H -2.78890 -2.50814 -7.27687 0.0000 H_beta____Ile 0 4 0.0000 - - - - 64 H -2.44244 0.47271 -7.43972 0.0000 H_gamma11_Ile 0 4 0.0000 - - - - 65 H -1.30133 -0.67943 -8.15487 0.0000 H_gamma12_Ile 0 4 0.0000 - - - - 66 H -4.64647 -1.97271 -5.86466 0.0000 H_gamma21_Ile 0 4 0.0000 - - - - 67 H -4.35696 -0.27723 -6.08789 0.0000 H_gamma22_Ile 0 4 0.0000 - - - - 68 H -5.03937 -1.17819 -7.36912 0.0000 H_gamma23_Ile 0 4 0.0000 - - - - 69 H -2.71912 -1.12022 -9.97769 0.0000 H_delta11_Ile 0 4 0.0000 - - - - 70 H -4.11997 -0.25893 -9.27357 0.0000 H_delta12_Ile 0 4 0.0000 - - - - 71 H -2.66114 0.54294 -9.66495 0.0000 H_delta13_Ile 0 4 0.0000 - - - - 72 N -2.93991 -0.08395 -3.96593 -0.4617 N_amide___Gln 0 5 0.0000 - - - - 73 C -3.18288 1.06126 -2.97311 0.0512 C_alpha___Gln 0 5 0.0000 - - - - 74 C -2.01551 1.33302 -2.01650 0.5970 C_amide___Gln 0 5 0.0000 - - - - 75 O -1.95314 2.38040 -1.32536 -0.5421 O_amide___Gln 0 5 0.0000 - - - - 76 C -4.55311 0.98223 -2.31006 -0.0600 C_beta____Gln 0 5 0.0000 - - - - 77 C -5.70940 0.70406 -3.25206 -0.0846 C_gamma___Gln 0 5 0.0000 - - - - 78 C -7.08347 0.60134 -2.47046 0.7946 C_delta___Gln 0 5 0.0000 - - - - 79 O -7.93922 1.48267 -2.47206 -0.6243 O_epsilon1Gln 0 5 0.0000 - - - - 80 N -7.23945 -0.45167 -1.64692 -0.9943 N_epsilon2Gln 0 5 0.0000 - - - - 81 H -3.57662 -0.90385 -4.08555 0.2889 H_amide___Gln 0 5 0.0000 - - - - 82 H -3.28041 2.04533 -3.50555 0.0689 H_alpha___Gln 0 5 0.0000 - - - - 83 H -4.68431 0.21919 -1.54094 0.0300 H_beta_1__Gln 0 5 0.0000 - - - - 84 H -4.60140 1.90499 -1.73663 0.0300 H_beta_2__Gln 0 5 0.0000 - - - - 85 H -5.67967 1.50321 -4.02069 0.0300 H_gamma_1_Gln 0 5 0.0000 - - - - 86 H -5.64258 -0.22326 -3.84428 0.0300 H_gamma_2_Gln 0 5 0.0000 - - - - 87 H -6.44164 -1.08418 -1.55032 0.4232 H_epsilon1Gln 0 5 0.0000 - - - - 88 H -8.02477 -0.36481 -1.11607 0.4232 H_epsilon2Gln 0 5 0.0000 - - - - 89 N -1.01249 0.48968 -1.85271 -0.4617 N_amide___Trp 0 6 0.0000 - - - - 90 C 0.06116 0.57640 -0.81809 0.0296 C_alpha___Trp 0 6 0.0000 - - - - 91 C 0.99422 1.74543 -1.13530 0.5970 C_amide___Trp 0 6 0.0000 - - - - 92 O 1.16401 2.71761 -0.38501 -0.5421 O_amide___Trp 0 6 0.0000 - - - - 93 C 0.80992 -0.72828 -0.56493 0.0477 C_beta____Trp 0 6 0.0000 - - - - 94 C 1.86665 -0.82671 0.51634 -0.0120 C_gamma___Trp 0 6 0.0000 - - - - 95 C 1.96359 0.06938 1.52820 -0.1921 C_delta_1_Trp 0 6 0.0000 - - - - 96 C 2.87450 -1.86093 0.77686 0.1773 C_delta_2_Trp 0 6 0.0000 - - - - 97 N 3.01206 -0.30862 2.29589 -0.5450 N_epsilon1Trp 0 6 0.0000 - - - - 98 C 3.54415 -1.54567 1.94727 0.2553 C_epsilon2Trp 0 6 0.0000 - - - - 99 C 3.15558 -3.09392 0.21154 -0.3143 C_epsilon3Trp 0 6 0.0000 - - - - 100 C 4.43029 -2.37910 2.61280 -0.3052 C_zeta__2_Trp 0 6 0.0000 - - - - 101 C 4.03217 -4.00389 0.82356 -0.1946 C_zeta__3_Trp 0 6 0.0000 - - - - 102 C 4.74778 -3.61959 2.02802 -0.1532 C_eta___2_Trp 0 6 0.0000 - - - - 103 H -0.97868 -0.37081 -2.40316 0.2889 H_amide___Trp 0 6 0.0000 - - - - 104 H -0.34680 0.80336 0.19453 0.0689 H_alpha___Trp 0 6 0.0000 - - - - 105 H 0.16702 -1.59300 -0.38410 0.0000 H_beta__1_Trp 0 6 0.0000 - - - - 106 H 1.33040 -0.91529 -1.47944 0.0000 H_beta__2_Trp 0 6 0.0000 - - - - 107 H 1.26787 0.90462 1.63994 0.2039 H_delta_1_Trp 0 6 0.0000 - - - - 108 H 3.05944 -0.05467 3.32471 0.4013 H_epsilon1Trp 0 6 0.0000 - - - - 109 H 2.65384 -3.45640 -0.70634 0.1705 H_epsilon3Trp 0 6 0.0000 - - - - 110 H 4.77453 -2.15671 3.60542 0.1672 H_zeta__2_Trp 0 6 0.0000 - - - - 111 H 4.17978 -5.00423 0.47208 0.1604 H_zeta__3_Trp 0 6 0.0000 - - - - 112 H 5.40834 -4.27771 2.51644 0.1522 H_eta___2_Trp 0 6 0.0000 - - - - 113 N 1.63970 1.72295 -2.31550 -0.4617 N_amide___Leu 0 7 0.0000 - - - - 114 C 2.61293 2.64422 -2.86342 0.0296 C_alpha___Leu 0 7 0.0000 - - - - 115 C 2.01296 3.97381 -3.31306 0.5970 C_amide___Leu 0 7 0.0000 - - - - 116 O 2.77759 4.92374 -3.61853 -0.5421 O_amide___Leu 0 7 0.0000 - - - - 117 C 3.37657 1.93716 -3.98999 0.0194 C_beta____Leu 0 7 0.0000 - - - - 118 C 4.32381 0.74379 -3.67408 0.0240 C_gamma___Leu 0 7 0.0000 - - - - 119 C 5.56316 0.86506 -4.62576 -0.0120 C_delta_1_Leu 0 7 0.0000 - - - - 120 C 4.99470 0.71757 -2.22156 -0.0120 C_delta_2_Leu 0 7 0.0000 - - - - 121 H 1.42268 0.91484 -2.85794 0.2889 H_amide___Leu 0 7 0.0000 - - - - 122 H 3.29987 2.88981 -2.05580 0.0689 H_alpha___Leu 0 7 0.0000 - - - - 123 H 2.64912 1.63073 -4.77383 0.0000 H_beta__1_Leu 0 7 0.0000 - - - - 124 H 3.98230 2.74612 -4.40190 0.0000 H_beta__2_Leu 0 7 0.0000 - - - - 125 H 3.71831 -0.15089 -3.83313 0.0000 H_gamma___Leu 0 7 0.0000 - - - - 126 H 6.06300 1.79995 -4.60047 0.0000 H_delta11_Leu 0 7 0.0000 - - - - 127 H 6.29745 0.09068 -4.44989 0.0000 H_delta12_Leu 0 7 0.0000 - - - - 128 H 5.17792 0.73169 -5.63627 0.0000 H_delta13_Leu 0 7 0.0000 - - - - 129 H 5.55721 1.56515 -2.05099 0.0000 H_delta21_Leu 0 7 0.0000 - - - - 130 H 4.30238 0.60019 -1.36011 0.0000 H_delta22_Leu 0 7 0.0000 - - - - 131 H 5.68811 -0.18627 -2.17267 0.0000 H_delta23_Leu 0 7 0.0000 - - - - 132 N 0.65087 4.07496 -3.37796 -0.4617 N_amide___Lys 0 8 0.0000 - - - - 133 C -0.19939 5.28525 -3.55891 0.0512 C_alpha___Lys 0 8 0.0000 - - - - 134 C -0.25894 6.25406 -2.34140 0.5970 C_amide___Lys 0 8 0.0000 - - - - 135 O -0.07184 7.51593 -2.38952 -0.5421 O_amide___Lys 0 8 0.0000 - - - - 136 C -1.58488 4.76882 -4.01351 -0.0621 C_beta____Lys 0 8 0.0000 - - - - 137 C -1.54604 4.20606 -5.46399 -0.0020 C_gamma___Lys 0 8 0.0000 - - - - 138 C -2.95533 3.89446 -5.92582 -0.0019 C_delta___Lys 0 8 0.0000 - - - - 139 C -3.18090 3.27453 -7.25698 0.2731 C_epsilon_Lys 0 8 0.0000 - - - - 140 N -4.56366 2.79951 -7.50598 -0.5467 N_zeta____Lys 0 8 0.0000 - - - - 141 H 0.14498 3.26288 -3.02763 0.2889 H_amide___Lys 0 8 0.0000 - - - - 142 H 0.29429 5.87514 -4.36773 0.0689 H_alpha___Lys 0 8 0.0000 - - - - 143 H -2.08191 4.19504 -3.27048 0.0300 H_beta__1_Lys 0 8 0.0000 - - - - 144 H -2.29752 5.57938 -4.05175 0.0300 H_beta__2_Lys 0 8 0.0000 - - - - 145 H -1.03440 4.91254 -6.02833 0.0300 H_gamma_1_Lys 0 8 0.0000 - - - - 146 H -0.94315 3.29536 -5.41932 0.0300 H_gamma_2_Lys 0 8 0.0000 - - - - 147 H -3.29888 3.24423 -5.18078 0.0300 H_delta_1_Lys 0 8 0.0000 - - - - 148 H -3.43952 4.89535 -5.91702 0.0300 H_delta_2_Lys 0 8 0.0000 - - - - 149 H -2.93942 4.14181 -7.92784 0.0300 H_epsilon1Lys 0 8 0.0000 - - - - 150 H -2.41810 2.50505 -7.31512 0.0300 H_epsilon2Lys 0 8 0.0000 - - - - 151 H -4.75925 1.86475 -7.32673 0.3658 H_zeta__1_Lys 0 8 0.3334 - - - - 152 H -5.07041 3.28904 -6.80290 0.3658 H_zeta__2_Lys 0 8 0.3333 - - - - 153 H -4.80113 3.03839 -8.48174 0.3658 H_zeta__3_Lys 0 8 0.3333 - - - - 154 N -0.50611 5.65403 -1.18067 -0.4617 N_amide___Asp 0 9 0.0000 - - - - 155 C -0.71813 6.15046 0.20178 0.0512 C_alpha___Asp 0 9 0.0000 - - - - 156 C 0.55833 6.33593 0.99655 0.5970 C_amide___Asp 0 9 0.0000 - - - - 157 O 0.55216 7.12370 2.00902 -0.5421 O_amide___Asp 0 9 0.0000 - - - - 158 C -1.53845 5.07623 0.95838 -0.3426 C_beta____Asp 0 9 0.0000 - - - - 159 C -2.06608 5.50038 2.30490 1.0538 C_gamma___Asp 0 9 0.0000 - - - - 160 O -2.94757 6.37389 2.30331 -0.8867 O_delta_1_Asp 0 9 -0.5000 - - - - 161 O -1.53485 4.98465 3.34848 -0.8867 O_delta_2_Asp 0 9 -0.5000 - - - - 162 H -0.63670 4.65153 -1.33517 0.2889 H_amide___Asp 0 9 0.0000 - - - - 163 H -1.21428 7.10156 0.28249 0.0689 H_alpha___Asp 0 9 0.0000 - - - - 164 H -2.42698 4.92047 0.32303 0.0300 H_beta_1__Asp 0 9 0.0000 - - - - 165 H -1.27467 4.03314 0.98339 0.0300 H_beta_2__Asp 0 9 0.0000 - - - - 166 N 1.73286 5.82106 0.56042 -0.4617 N_amide___Gly 0 10 0.0000 - - - - 167 C 3.10090 6.24567 1.00497 -0.0199 C_alpha___Gly 0 10 0.0000 - - - - 168 C 4.08210 5.08160 0.90850 0.5970 C_amide___Gly 0 10 0.0000 - - - - 169 O 5.29417 5.33861 0.76254 -0.5421 O_amide___Gly 0 10 0.0000 - - - - 170 H 1.62905 5.08509 -0.09709 0.2889 H_amide___Gly 0 10 0.0000 - - - - 171 H 3.51384 7.10154 0.43271 0.0689 H_alpha_1_Gly 0 10 0.0000 - - - - 172 H 3.10706 6.54809 2.10374 0.0689 H_alpha_2_Gly 0 10 0.0000 - - - - 173 N 3.60664 3.83693 0.79137 -0.4617 N_amide___Gly 0 11 0.0000 - - - - 174 C 4.42701 2.61880 0.90812 -0.0199 C_alpha___Gly 0 11 0.0000 - - - - 175 C 5.12215 2.31500 2.19247 0.5970 C_amide___Gly 0 11 0.0000 - - - - 176 O 4.84286 3.00565 3.15348 -0.5421 O_amide___Gly 0 11 0.0000 - - - - 177 H 2.58287 3.68292 0.78148 0.2889 H_amide___Gly 0 11 0.0000 - - - - 178 H 3.81799 1.72060 0.53790 0.0689 H_alpha_1_Gly 0 11 0.0000 - - - - 179 H 5.22414 2.71419 0.12625 0.0689 H_alpha_2_Gly 0 11 0.0000 - - - - 180 N 5.93730 1.24659 2.31122 -0.0881 N_amide___Pro 0 12 0.0000 - - - - 181 C 6.68470 0.87349 3.51247 -0.0346 C_alpha___Pro 0 12 0.0000 - - - - 182 C 7.74013 1.93820 3.94593 0.3337 C_amide___Pro 0 12 0.0000 - - - - 183 O 8.05582 1.89455 5.13532 -0.4345 O_amide___Pro 0 12 0.0000 - - - - 184 C 7.49280 -0.40302 3.04990 -0.0034 C_beta____Pro 0 12 0.0000 - - - - 185 C 7.50575 -0.18445 1.53493 0.0131 C_gamma___Pro 0 12 0.0000 - - - - 186 C 6.19485 0.43430 1.16761 -0.0119 C_delta___Pro 0 12 0.0000 - - - - 187 H 6.05181 0.72848 4.30822 0.0600 H_alpha___Pro 0 12 0.0000 - - - - 188 H 8.58603 -0.42372 3.42585 0.0193 H_beta__1_Pro 0 12 0.0000 - - - - 189 H 7.01981 -1.34037 3.33240 0.0193 H_beta__2_Pro 0 12 0.0000 - - - - 190 H 8.34855 0.43346 1.29296 0.0196 H_gamma_1_Pro 0 12 0.0000 - - - - 191 H 7.65879 -1.05665 0.89979 0.0196 H_gamma_2_Pro 0 12 0.0000 - - - - 192 H 6.22778 1.04082 0.28778 0.0440 H_delta_1_Pro 0 12 0.0000 - - - - 193 H 5.43677 -0.34279 1.16708 0.0440 H_delta_2_Pro 0 12 0.0000 - - - - 194 N 8.29658 2.76775 3.07904 -0.4617 N_amide___Ser 0 13 0.0000 - - - - 195 C 9.37037 3.81003 3.53948 0.0296 C_alpha___Ser 0 13 0.0000 - - - - 196 C 8.73469 4.99327 4.28472 0.5970 C_amide___Ser 0 13 0.0000 - - - - 197 O 9.49196 5.77235 4.84510 -0.5421 O_amide___Ser 0 13 0.0000 - - - - 198 C 10.24718 4.25203 2.34883 0.2735 C_beta____Ser 0 13 0.0000 - - - - 199 O 10.83152 3.13739 1.74189 -0.6541 O_H_______Ser 0 13 0.0000 - - - - 200 H 8.03915 2.69408 2.06860 0.2889 H_amide___Ser 0 13 0.0000 - - - - 201 H 10.00217 3.45639 4.28483 0.0689 H_alpha___Ser 0 13 0.0000 - - - - 202 H 9.69970 4.80539 1.57715 0.0000 H_beta__1_Ser 0 13 0.0000 - - - - 203 H 11.13275 4.86941 2.73284 0.0000 H_beta__2_Ser 0 13 0.0000 - - - - 204 H 11.08856 3.42332 0.84949 0.4000 H_O_______Ser 0 13 0.0000 - - - - 205 N 7.42552 5.17977 4.30004 -0.4617 N_amide___Ser 0 14 0.0000 - - - - 206 C 6.74867 5.86060 5.43996 0.0296 C_alpha___Ser 0 14 0.0000 - - - - 207 C 5.99090 4.94670 6.45914 0.5970 C_amide___Ser 0 14 0.0000 - - - - 208 O 5.01317 5.34039 7.11476 -0.5421 O_amide___Ser 0 14 0.0000 - - - - 209 C 5.89007 7.00229 4.91515 0.2735 C_beta____Ser 0 14 0.0000 - - - - 210 O 6.74137 7.92277 4.22284 -0.6541 O_H_______Ser 0 14 0.0000 - - - - 211 H 6.82393 4.54471 3.76518 0.2889 H_amide___Ser 0 14 0.0000 - - - - 212 H 7.49833 6.43822 5.96377 0.0689 H_alpha___Ser 0 14 0.0000 - - - - 213 H 5.06724 6.67767 4.27957 0.0000 H_beta__1_Ser 0 14 0.0000 - - - - 214 H 5.51238 7.57196 5.73274 0.0000 H_beta__2_Ser 0 14 0.0000 - - - - 215 H 7.31812 7.45636 3.64590 0.4000 H_O_______Ser 0 14 0.0000 - - - - 216 N 6.42627 3.73352 6.63543 -0.4617 N_amide___Gly 0 15 0.0000 - - - - 217 C 5.93024 2.70241 7.60013 -0.0199 C_alpha___Gly 0 15 0.0000 - - - - 218 C 4.48510 2.08341 7.40297 0.5970 C_amide___Gly 0 15 0.0000 - - - - 219 O 4.00816 1.47198 8.36436 -0.5421 O_amide___Gly 0 15 0.0000 - - - - 220 H 7.20035 3.42018 6.07178 0.2889 H_amide___Gly 0 15 0.0000 - - - - 221 H 6.75496 1.88929 7.62026 0.0689 H_alpha_1_Gly 0 15 0.0000 - - - - 222 H 5.87269 3.25886 8.54586 0.0689 H_alpha_2_Gly 0 15 0.0000 - - - - 223 N 3.87981 2.12994 6.24444 -0.4617 N_amide___Arg 0 16 0.0000 - - - - 224 C 2.48761 1.86804 5.96190 0.0512 C_alpha___Arg 0 16 0.0000 - - - - 225 C 2.10664 0.42779 5.91215 0.5970 C_amide___Arg 0 16 0.0000 - - - - 226 O 2.81735 -0.40912 5.27074 -0.5421 O_amide___Arg 0 16 0.0000 - - - - 227 C 1.95237 2.71310 4.74822 -0.0622 C_beta____Arg 0 16 0.0000 - - - - 228 C 2.13924 4.24446 4.67288 0.0584 C_gamma___Arg 0 16 0.0000 - - - - 229 C 1.48741 5.15589 5.72058 0.0270 C_delta___Arg 0 16 0.0000 - - - - 230 N 2.00662 4.90733 7.03068 -0.3234 N_epsilon_Arg 0 16 0.0000 - - - - 231 C 1.32292 5.03259 8.17132 0.5911 C_zeta____Arg 0 16 0.0000 - - - - 232 N 0.06315 5.33360 8.23621 -0.8141 N_eta___1_Arg 0 16 0.0000 - - - - 233 N 1.91201 4.96264 9.37708 -0.8141 N_eta___2_Arg 0 16 0.0000 - - - - 234 H 4.39326 2.61157 5.56384 0.2889 H_amide___Arg 0 16 0.0000 - - - - 235 H 1.90079 2.26194 6.74706 0.0689 H_alpha___Arg 0 16 0.0000 - - - - 236 H 2.22136 2.26938 3.78743 0.0300 H_beta__1_Arg 0 16 0.0000 - - - - 237 H 0.87449 2.63458 4.71918 0.0300 H_beta__2_Arg 0 16 0.0000 - - - - 238 H 3.15396 4.54461 4.51322 0.0300 H_gamma_1_Arg 0 16 0.0000 - - - - 239 H 1.70951 4.56254 3.72788 0.0300 H_gamma_2_Arg 0 16 0.0000 - - - - 240 H 1.68587 6.24397 5.43673 0.0761 H_delta_1_Arg 0 16 0.0000 - - - - 241 H 0.38136 5.08778 5.69130 0.0761 H_delta_2_Arg 0 16 0.0000 - - - - 242 H 2.99769 4.91265 7.04238 0.3069 H_epsilon_Arg 0 16 0.0000 - - - - 243 H -0.43077 5.67326 7.37092 0.4390 H_eta__11_Arg 0 16 0.2500 - - - - 244 H -0.32126 5.64402 9.15954 0.4390 H_eta__12_Arg 0 16 0.2500 - - - - 245 H 2.94862 4.97035 9.41549 0.4390 H_eta__21_Arg 0 16 0.2500 - - - - 246 H 1.41506 5.19419 10.21774 0.4390 H_eta__22_Arg 0 16 0.2500 - - - - 247 N 0.92821 -0.01410 6.51754 -0.0881 N_amide___Pro 0 17 0.0000 - - - - 248 C 0.49431 -1.32361 6.49663 -0.0346 C_alpha___Pro 0 17 0.0000 - - - - 249 C 0.38720 -1.90375 5.08461 0.3337 C_amide___Pro 0 17 0.0000 - - - - 250 O 0.10240 -1.11712 4.17216 -0.4345 O_amide___Pro 0 17 0.0000 - - - - 251 C -0.82357 -1.33103 7.33918 -0.0034 C_beta____Pro 0 17 0.0000 - - - - 252 C -0.82032 -0.13528 8.33956 0.0131 C_gamma___Pro 0 17 0.0000 - - - - 253 C 0.08710 0.78920 7.49001 -0.0119 C_delta___Pro 0 17 0.0000 - - - - 254 H 1.19678 -1.93401 6.99740 0.0600 H_alpha___Pro 0 17 0.0000 - - - - 255 H -1.70690 -1.32820 6.65305 0.0193 H_beta__1_Pro 0 17 0.0000 - - - - 256 H -0.98970 -2.22020 7.83640 0.0193 H_beta__2_Pro 0 17 0.0000 - - - - 257 H -1.71090 0.35438 8.55418 0.0196 H_gamma_1_Pro 0 17 0.0000 - - - - 258 H -0.34331 -0.46124 9.21333 0.0196 H_gamma_2_Pro 0 17 0.0000 - - - - 259 H -0.42728 1.57298 6.94084 0.0440 H_delta_1_Pro 0 17 0.0000 - - - - 260 H 0.72977 1.32096 8.22345 0.0440 H_delta_2_Pro 0 17 0.0000 - - - - 261 N 0.72193 -3.15614 4.84464 -0.0881 N_amide___Pro 0 18 0.0000 - - - - 262 C 0.41342 -3.86861 3.65986 -0.0346 C_alpha___Pro 0 18 0.0000 - - - - 263 C -1.08544 -4.19879 3.56604 0.3337 C_amide___Pro 0 18 0.0000 - - - - 264 O -1.64383 -4.83576 4.45256 -0.4345 O_amide___Pro 0 18 0.0000 - - - - 265 C 1.40332 -5.07507 3.70969 -0.0034 C_beta____Pro 0 18 0.0000 - - - - 266 C 1.21223 -5.55642 5.18844 0.0131 C_gamma___Pro 0 18 0.0000 - - - - 267 C 1.02343 -4.14920 5.89412 -0.0119 C_delta___Pro 0 18 0.0000 - - - - 268 H 0.61647 -3.25416 2.77678 0.0600 H_alpha___Pro 0 18 0.0000 - - - - 269 H 1.14773 -5.78917 2.92855 0.0193 H_beta__1_Pro 0 18 0.0000 - - - - 270 H 2.40535 -4.59081 3.51087 0.0193 H_beta__2_Pro 0 18 0.0000 - - - - 271 H 0.30607 -6.11796 5.25560 0.0196 H_gamma_1_Pro 0 18 0.0000 - - - - 272 H 2.06382 -6.17640 5.56154 0.0196 H_gamma_2_Pro 0 18 0.0000 - - - - 273 H 0.24310 -4.20633 6.67985 0.0440 H_delta_1_Pro 0 18 0.0000 - - - - 274 H 2.00806 -3.99480 6.34765 0.0440 H_delta_2_Pro 0 18 0.0000 - - - - 275 N -1.83595 -3.72103 2.51090 -0.0881 N_amide___Pro 0 19 0.0000 - - - - 276 C -3.31509 -3.99013 2.33497 -0.0346 C_alpha___Pro 0 19 0.0000 - - - - 277 C -3.69648 -5.45396 2.56515 0.3337 C_amide___Pro 0 19 0.0000 - - - - 278 O -2.90771 -6.36810 2.62539 -0.4345 O_amide___Pro 0 19 0.0000 - - - - 279 C -3.85266 -3.52295 0.94384 -0.0034 C_beta____Pro 0 19 0.0000 - - - - 280 C -2.85958 -2.41544 0.75058 0.0131 C_gamma___Pro 0 19 0.0000 - - - - 281 C -1.48946 -2.96231 1.35776 -0.0119 C_delta___Pro 0 19 0.0000 - - - - 282 H -3.82473 -3.41035 3.05565 0.0600 H_alpha___Pro 0 19 0.0000 - - - - 283 H -3.53295 -4.22648 0.16534 0.0193 H_beta__1_Pro 0 19 0.0000 - - - - 284 H -4.84187 -3.18850 0.94360 0.0193 H_beta__2_Pro 0 19 0.0000 - - - - 285 H -2.81086 -2.08136 -0.32590 0.0196 H_gamma_1_Pro 0 19 0.0000 - - - - 286 H -3.15450 -1.51777 1.29964 0.0196 H_gamma_2_Pro 0 19 0.0000 - - - - 287 H -1.08346 -3.67093 0.66013 0.0440 H_delta_1_Pro 0 19 0.0000 - - - - 288 H -0.72397 -2.18090 1.50305 0.0440 H_delta_2_Pro 0 19 0.0000 - - - - 289 N -4.98411 -5.65837 2.64386 -0.4617 N_amide___Ser 0 20 0.0000 - - - - 290 C -5.69031 -6.92441 2.95390 0.0296 C_alpha___Ser 0 20 0.0000 - - - - 291 C -6.97758 -7.20452 2.16882 0.5970 C_amide___Ser 0 20 0.0000 - - - - 292 O -6.81177 -7.56321 0.96196 -0.5421 O_amide___Ser 0 20 0.0000 - - - - 293 C -5.96969 -7.07424 4.44246 0.2735 C_beta____Ser 0 20 0.0000 - - - - 294 O -4.78247 -7.27138 5.18173 -0.6541 O_H_______Ser 0 20 0.0000 - - - - 295 H -5.52676 -4.92633 2.29996 0.2889 H_amide___Ser 0 20 0.0000 - - - - 296 H -5.06732 -7.76181 2.58866 0.0689 H_alpha___Ser 0 20 0.0000 - - - - 297 H -6.52984 -6.22622 4.82741 0.0000 H_beta__1_Ser 0 20 0.0000 - - - - 298 H -6.65541 -7.91214 4.57196 0.0000 H_beta__2_Ser 0 20 0.0000 - - - - 299 H -4.05986 -6.64475 4.84986 0.4000 H_O_______Ser 0 20 0.0000 - - - - 300 H -5.37143 -7.92073 -6.78384 0.2889 H_amide___Asn 0 1 0.0000 - - - - @Table Bonds 307 str str str double double str ID1 ID2 Order R-eqv Force Comment 0 1 s - - 1 8 s - - 1 4 s - - 1 2 s - - 2 3 s - - 2 13 s - - 4 5 s - - 4 9 s - - 4 10 s - - 5 6 s - - 5 7 s - - 7 11 s - - 7 12 s - - 13 14 s - - 13 21 s - - 14 22 s - - 14 15 s - - 14 17 s - - 15 16 s - - 15 32 s - - 17 18 s - - 17 24 s - - 17 23 s - - 18 20 s - - 18 25 s - - 18 19 s - - 19 26 s - - 19 27 s - - 19 28 s - - 20 30 s - - 20 31 s - - 20 29 s - - 32 44 s - - 32 33 s - - 33 34 s - - 33 45 s - - 33 36 s - - 34 53 s - - 34 35 s - - 36 47 s - - 36 37 s - - 36 46 s - - 37 38 s - - 37 39 s - - 38 48 s - - 38 40 s - - 39 41 s - - 39 49 s - - 40 50 s - - 40 42 s - - 41 42 s - - 41 51 s - - 42 43 s - - 43 52 s - - 53 54 s - - 53 61 s - - 54 57 s - - 54 55 s - - 54 62 s - - 55 72 s - - 55 56 s - - 57 59 s - - 57 58 s - - 57 63 s - - 58 64 s - - 58 65 s - - 58 60 s - - 59 66 s - - 59 68 s - - 59 67 s - - 60 69 s - - 60 71 s - - 60 70 s - - 72 81 s - - 72 73 s - - 73 74 s - - 73 76 s - - 73 82 s - - 74 75 s - - 74 89 s - - 76 83 s - - 76 77 s - - 76 84 s - - 77 78 s - - 77 85 s - - 77 86 s - - 78 79 s - - 78 80 s - - 80 88 s - - 80 87 s - - 89 103 s - - 89 90 s - - 90 104 s - - 90 91 s - - 90 93 s - - 91 92 s - - 91 113 s - - 93 105 s - - 93 106 s - - 93 94 s - - 94 95 s - - 94 96 s - - 95 107 s - - 95 97 s - - 96 98 s - - 96 99 s - - 97 98 s - - 97 108 s - - 98 100 s - - 99 109 s - - 99 101 s - - 100 102 s - - 100 110 s - - 101 102 s - - 101 111 s - - 102 112 s - - 113 121 s - - 113 114 s - - 114 117 s - - 114 115 s - - 114 122 s - - 115 132 s - - 115 116 s - - 117 124 s - - 117 123 s - - 117 118 s - - 118 125 s - - 118 119 s - - 118 120 s - - 119 126 s - - 119 127 s - - 119 128 s - - 120 129 s - - 120 130 s - - 120 131 s - - 132 133 s - - 132 141 s - - 133 136 s - - 133 142 s - - 133 134 s - - 134 135 s - - 134 154 s - - 136 144 s - - 136 143 s - - 136 137 s - - 137 145 s - - 137 138 s - - 137 146 s - - 138 147 s - - 138 148 s - - 138 139 s - - 139 140 s - - 139 149 s - - 139 150 s - - 140 152 s - - 140 151 s - - 140 153 s - - 154 155 s - - 154 162 s - - 155 163 s - - 155 156 s - - 155 158 s - - 156 157 s - - 156 166 s - - 158 159 s - - 158 164 s - - 158 165 s - - 159 160 s - - 159 161 s - - 166 170 s - - 166 167 s - - 167 171 s - - 167 172 s - - 167 168 s - - 168 173 s - - 168 169 s - - 173 174 s - - 173 177 s - - 174 179 s - - 174 178 s - - 174 175 s - - 175 176 s - - 175 180 s - - 180 186 s - - 180 181 s - - 181 182 s - - 181 187 s - - 181 184 s - - 182 183 s - - 182 194 s - - 184 185 s - - 184 188 s - - 184 189 s - - 185 186 s - - 185 191 s - - 185 190 s - - 186 193 s - - 186 192 s - - 194 200 s - - 194 195 s - - 195 196 s - - 195 198 s - - 195 201 s - - 196 197 s - - 196 205 s - - 198 202 s - - 198 203 s - - 198 199 s - - 199 204 s - - 205 206 s - - 205 211 s - - 206 209 s - - 206 212 s - - 206 207 s - - 207 208 s - - 207 216 s - - 209 210 s - - 209 213 s - - 209 214 s - - 210 215 s - - 216 220 s - - 216 217 s - - 217 222 s - - 217 221 s - - 217 218 s - - 218 223 s - - 218 219 s - - 223 234 s - - 223 224 s - - 224 227 s - - 224 235 s - - 224 225 s - - 225 226 s - - 225 247 s - - 227 228 s - - 227 236 s - - 227 237 s - - 228 229 s - - 228 238 s - - 228 239 s - - 229 240 s - - 229 230 s - - 229 241 s - - 230 231 s - - 230 242 s - - 231 233 s - - 231 232 s - - 232 243 s - - 232 244 s - - 233 245 s - - 233 246 s - - 247 253 s - - 247 248 s - - 248 249 s - - 248 251 s - - 248 254 s - - 249 250 s - - 249 261 s - - 251 252 s - - 251 256 s - - 251 255 s - - 252 253 s - - 252 257 s - - 252 258 s - - 253 259 s - - 253 260 s - - 261 262 s - - 261 267 s - - 262 265 s - - 262 268 s - - 262 263 s - - 263 275 s - - 263 264 s - - 265 269 s - - 265 270 s - - 265 266 s - - 266 267 s - - 266 272 s - - 266 271 s - - 267 274 s - - 267 273 s - - 275 281 s - - 275 276 s - - 276 277 s - - 276 279 s - - 276 282 s - - 277 278 s - - 277 289 s - - 279 280 s - - 279 284 s - - 279 283 s - - 280 281 s - - 280 286 s - - 280 285 s - - 281 287 s - - 281 288 s - - 289 295 s - - 289 290 s - - 290 296 s - - 290 291 s - - 290 293 s - - 291 292 s - - 293 294 s - - 293 297 s - - 293 298 s - - 294 299 s - - 0 300 s - - @Table Residues 20 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 - - - 18 - - - 19 - - - 20 - - - @End