# MolMeccano format (*.mlm). @Force_field AMBER-i @Temperature 298.15 @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 -24.01688 -17.95531 -5.97681 -0.4617 N_amide___Asn 0 1 0.0000 - - - - 1 C -22.60509 -17.57256 -5.84641 0.0512 C_alpha___Asn 0 1 0.0000 - - - - 2 C -22.41456 -16.05082 -5.60333 0.5970 C_amide___Asn 0 1 0.0000 - - - - 3 O -23.37415 -15.26402 -5.60046 -0.5421 O_amide___Asn 0 1 0.0000 - - - - 4 C -21.79792 -18.08060 -7.07147 -0.0846 C_beta____Asn 0 1 0.0000 - - - - 5 C -21.90159 -19.58896 -7.31349 0.7946 C_gamma___Asn 0 1 0.0000 - - - - 6 O -22.27812 -20.06437 -8.38364 -0.6243 O_delta_1_Asn 0 1 0.0000 - - - - 7 N -21.54221 -20.41506 -6.35329 -0.9943 N_delta_2_Asn 0 1 0.0000 - - - - 8 H -22.21507 -18.08411 -4.96365 0.0689 H_alpha___Asn 0 1 0.0000 - - - - 9 H -22.10105 -17.54285 -7.96757 0.0300 H_beta_1__Asn 0 1 0.0000 - - - - 10 H -20.74919 -17.83840 -6.92967 0.0300 H_beta_2__Asn 0 1 0.0000 - - - - 11 H -21.24286 -20.04326 -5.46384 0.4232 H_delta21_Asn 0 1 0.0000 - - - - 12 H -21.60571 -21.40731 -6.52402 0.4232 H_delta22_Asn 0 1 0.0000 - - - - 13 N -21.16219 -15.63657 -5.37383 -0.4617 N_amide___Leu 0 2 0.0000 - - - - 14 C -20.72700 -14.27507 -5.00891 0.0296 C_alpha___Leu 0 2 0.0000 - - - - 15 C -19.39748 -13.82853 -5.67638 0.5970 C_amide___Leu 0 2 0.0000 - - - - 16 O -18.60309 -14.66131 -6.12901 -0.5421 O_amide___Leu 0 2 0.0000 - - - - 17 C -20.58112 -14.18315 -3.47116 0.0194 C_beta____Leu 0 2 0.0000 - - - - 18 C -21.88976 -14.24737 -2.63870 0.0240 C_gamma___Leu 0 2 0.0000 - - - - 19 C -22.28324 -15.67141 -2.19519 -0.0120 C_delta_1_Leu 0 2 0.0000 - - - - 20 C -21.82987 -13.31440 -1.41471 -0.0120 C_delta_2_Leu 0 2 0.0000 - - - - 21 H -20.43428 -16.33188 -5.44636 0.2889 H_amide___Leu 0 2 0.0000 - - - - 22 H -21.49943 -13.56306 -5.31172 0.0689 H_alpha___Leu 0 2 0.0000 - - - - 23 H -19.87711 -14.93799 -3.12647 0.0000 H_beta__1_Leu 0 2 0.0000 - - - - 24 H -20.07467 -13.24671 -3.23965 0.0000 H_beta__2_Leu 0 2 0.0000 - - - - 25 H -22.70121 -13.85841 -3.25048 0.0000 H_gamma___Leu 0 2 0.0000 - - - - 26 H -23.08109 -15.66034 -1.45539 0.0000 H_delta11_Leu 0 2 0.0000 - - - - 27 H -22.65587 -16.27331 -3.01619 0.0000 H_delta12_Leu 0 2 0.0000 - - - - 28 H -21.45312 -16.21022 -1.74955 0.0000 H_delta13_Leu 0 2 0.0000 - - - - 29 H -21.09480 -13.65065 -0.68545 0.0000 H_delta21_Leu 0 2 0.0000 - - - - 30 H -21.55615 -12.30661 -1.71501 0.0000 H_delta22_Leu 0 2 0.0000 - - - - 31 H -22.79653 -13.24591 -0.91664 0.0000 H_delta23_Leu 0 2 0.0000 - - - - 32 N -19.12332 -12.51376 -5.68159 -0.4617 N_amide___Tyr 0 3 0.0000 - - - - 33 C -17.86217 -11.86726 -6.09840 0.0296 C_alpha___Tyr 0 3 0.0000 - - - - 34 C -17.47065 -10.72817 -5.12714 0.5970 C_amide___Tyr 0 3 0.0000 - - - - 35 O -18.30729 -9.87361 -4.81175 -0.5421 O_amide___Tyr 0 3 0.0000 - - - - 36 C -18.00528 -11.32324 -7.54260 0.0138 C_beta____Tyr 0 3 0.0000 - - - - 37 C -16.70893 -10.87408 -8.21359 0.1476 C_gamma___Tyr 0 3 0.0000 - - - - 38 C -16.26579 -9.53052 -8.12918 -0.2029 C_delta_1_Tyr 0 3 0.0000 - - - - 39 C -15.95428 -11.81336 -8.96555 -0.2029 C_delta_2_Tyr 0 3 0.0000 - - - - 40 C -15.08920 -9.12695 -8.80321 -0.2247 C_epsilon1Tyr 0 3 0.0000 - - - - 41 C -14.76668 -11.42010 -9.62416 -0.2247 C_epsilon2Tyr 0 3 0.0000 - - - - 42 C -14.34185 -10.06508 -9.55850 0.4255 C_zeta____Tyr 0 3 0.0000 - - - - 43 O -13.22683 -9.64734 -10.22624 -0.6123 O_eta_____Tyr 0 3 0.0000 - - - - 44 H -19.80353 -11.90484 -5.25202 0.2889 H_amide___Tyr 0 3 0.0000 - - - - 45 H -17.06758 -12.61750 -6.09850 0.0689 H_alpha___Tyr 0 3 0.0000 - - - - 46 H -18.46699 -12.08783 -8.17174 0.0000 H_beta__1_Tyr 0 3 0.0000 - - - - 47 H -18.71463 -10.49738 -7.56608 0.0000 H_beta__2_Tyr 0 3 0.0000 - - - - 48 H -16.82905 -8.81447 -7.54740 0.1300 H_delta_1_Tyr 0 3 0.0000 - - - - 49 H -16.29009 -12.84208 -9.04521 0.1300 H_delta_2_Tyr 0 3 0.0000 - - - - 50 H -14.76387 -8.09821 -8.75893 0.1300 H_epsilon1Tyr 0 3 0.0000 - - - - 51 H -14.18123 -12.14361 -10.17927 0.1300 H_epsilon2Tyr 0 3 0.0000 - - - - 52 H -12.82736 -10.35259 -10.74424 0.3800 H_eta_____Tyr 0 3 0.0000 - - - - 53 N -16.21383 -10.70618 -4.66126 -0.4617 N_amide___Ile 0 4 0.0000 - - - - 54 C -15.64047 -9.68318 -3.75782 0.0296 C_alpha___Ile 0 4 0.0000 - - - - 55 C -14.24010 -9.24067 -4.25188 0.5970 C_amide___Ile 0 4 0.0000 - - - - 56 O -14.12214 -8.25310 -4.98368 -0.5421 O_amide___Ile 0 4 0.0000 - - - - 57 C -15.63370 -10.17024 -2.27255 0.0314 C_beta____Ile 0 4 0.0000 - - - - 58 C -17.02673 -10.57023 -1.72305 0.0120 C_gamma_1_Ile 0 4 0.0000 - - - - 59 C -14.96121 -9.15576 -1.31580 -0.0120 C_gamma_2_Ile 0 4 0.0000 - - - - 60 C -18.01442 -9.42482 -1.45446 -0.0120 C_delta_1_Ile 0 4 0.0000 - - - - 61 H -15.59863 -11.44890 -4.96265 0.2889 H_amide___Ile 0 4 0.0000 - - - - 62 H -16.26854 -8.79303 -3.79495 0.0689 H_alpha___Ile 0 4 0.0000 - - - - 63 H -15.03610 -11.07982 -2.23192 0.0000 H_beta____Ile 0 4 0.0000 - - - - 64 H -17.50255 -11.28855 -2.38700 0.0000 H_gamma11_Ile 0 4 0.0000 - - - - 65 H -16.90583 -11.12427 -0.79326 0.0000 H_gamma12_Ile 0 4 0.0000 - - - - 66 H -13.90040 -9.03456 -1.50865 0.0000 H_gamma21_Ile 0 4 0.0000 - - - - 67 H -15.40751 -8.16919 -1.40944 0.0000 H_gamma22_Ile 0 4 0.0000 - - - - 68 H -15.04313 -9.46160 -0.27512 0.0000 H_gamma23_Ile 0 4 0.0000 - - - - 69 H -17.66174 -8.75814 -0.67240 0.0000 H_delta11_Ile 0 4 0.0000 - - - - 70 H -18.19061 -8.82074 -2.33822 0.0000 H_delta12_Ile 0 4 0.0000 - - - - 71 H -18.97731 -9.81318 -1.13472 0.0000 H_delta13_Ile 0 4 0.0000 - - - - 72 N -13.18771 -9.98517 -3.88296 -0.4617 N_amide___Gln 0 5 0.0000 - - - - 73 C -11.76947 -9.76814 -4.22550 0.0512 C_alpha___Gln 0 5 0.0000 - - - - 74 C -11.23364 -8.31946 -3.99710 0.5970 C_amide___Gln 0 5 0.0000 - - - - 75 O -10.37625 -7.83554 -4.74464 -0.5421 O_amide___Gln 0 5 0.0000 - - - - 76 C -11.51069 -10.37773 -5.63283 -0.0600 C_beta____Gln 0 5 0.0000 - - - - 77 C -11.54030 -11.92311 -5.74762 -0.0846 C_gamma___Gln 0 5 0.0000 - - - - 78 C -12.90545 -12.59963 -5.57041 0.7946 C_delta___Gln 0 5 0.0000 - - - - 79 O -13.41800 -12.78923 -4.47004 -0.6243 O_epsilon1Gln 0 5 0.0000 - - - - 80 N -13.54076 -13.03234 -6.63454 -0.9943 N_epsilon2Gln 0 5 0.0000 - - - - 81 H -13.39669 -10.83438 -3.37587 0.2889 H_amide___Gln 0 5 0.0000 - - - - 82 H -11.19787 -10.37075 -3.51741 0.0689 H_alpha___Gln 0 5 0.0000 - - - - 83 H -12.19223 -9.94454 -6.36235 0.0300 H_beta_1__Gln 0 5 0.0000 - - - - 84 H -10.51988 -10.08423 -5.97061 0.0300 H_beta_2__Gln 0 5 0.0000 - - - - 85 H -11.13811 -12.19581 -6.72233 0.0300 H_gamma_1_Gln 0 5 0.0000 - - - - 86 H -10.83673 -12.35567 -5.04316 0.0300 H_gamma_2_Gln 0 5 0.0000 - - - - 87 H -13.12219 -12.91700 -7.54192 0.4232 H_epsilon1Gln 0 5 0.0000 - - - - 88 H -14.38715 -13.55744 -6.49851 0.4232 H_epsilon2Gln 0 5 0.0000 - - - - 89 N -11.71561 -7.62421 -2.95211 -0.4617 N_amide___Trp 0 6 0.0000 - - - - 90 C -11.41317 -6.21729 -2.59261 0.0296 C_alpha___Trp 0 6 0.0000 - - - - 91 C -10.06703 -6.01052 -1.84330 0.5970 C_amide___Trp 0 6 0.0000 - - - - 92 O -10.00043 -5.32520 -0.81536 -0.5421 O_amide___Trp 0 6 0.0000 - - - - 93 C -12.61178 -5.60293 -1.82957 0.0477 C_beta____Trp 0 6 0.0000 - - - - 94 C -13.91250 -5.37206 -2.55117 -0.0120 C_gamma___Trp 0 6 0.0000 - - - - 95 C -14.05724 -5.04626 -3.85931 -0.1921 C_delta_1_Trp 0 6 0.0000 - - - - 96 C -15.25650 -5.33061 -1.97324 0.1773 C_delta_2_Trp 0 6 0.0000 - - - - 97 N -15.39570 -4.81590 -4.13643 -0.5450 N_epsilon1Trp 0 6 0.0000 - - - - 98 C -16.17670 -4.96062 -3.01044 0.2553 C_epsilon2Trp 0 6 0.0000 - - - - 99 C -15.78697 -5.54994 -0.67427 -0.3143 C_epsilon3Trp 0 6 0.0000 - - - - 100 C -17.55435 -4.80829 -2.76611 -0.3052 C_zeta__2_Trp 0 6 0.0000 - - - - 101 C -17.16961 -5.39825 -0.42116 -0.1946 C_zeta__3_Trp 0 6 0.0000 - - - - 102 C -18.04842 -5.02537 -1.45941 -0.1532 C_eta___2_Trp 0 6 0.0000 - - - - 103 H -12.37130 -8.11717 -2.36536 0.2889 H_amide___Trp 0 6 0.0000 - - - - 104 H -11.30591 -5.65206 -3.51786 0.0689 H_alpha___Trp 0 6 0.0000 - - - - 105 H -12.81251 -6.20372 -0.94518 0.0000 H_beta__1_Trp 0 6 0.0000 - - - - 106 H -12.32138 -4.63244 -1.43811 0.0000 H_beta__2_Trp 0 6 0.0000 - - - - 107 H -13.24055 -4.96307 -4.57218 0.2039 H_delta_1_Trp 0 6 0.0000 - - - - 108 H -15.74794 -4.54845 -5.05716 0.4013 H_epsilon1Trp 0 6 0.0000 - - - - 109 H -15.12249 -5.83717 0.13117 0.1705 H_epsilon3Trp 0 6 0.0000 - - - - 110 H -18.22071 -4.51922 -3.56672 0.1672 H_zeta__2_Trp 0 6 0.0000 - - - - 111 H -17.55959 -5.55975 0.57725 0.1604 H_zeta__3_Trp 0 6 0.0000 - - - - 112 H -19.10867 -4.90692 -1.25323 0.1522 H_eta___2_Trp 0 6 0.0000 - - - - 113 N -8.97923 -6.61068 -2.33369 -0.4617 N_amide___Leu 0 7 0.0000 - - - - 114 C -7.60856 -6.41174 -1.82160 0.0296 C_alpha___Leu 0 7 0.0000 - - - - 115 C -6.98544 -5.05408 -2.22461 0.5970 C_amide___Leu 0 7 0.0000 - - - - 116 O -7.16403 -4.58675 -3.35625 -0.5421 O_amide___Leu 0 7 0.0000 - - - - 117 C -6.71200 -7.60590 -2.20574 0.0194 C_beta____Leu 0 7 0.0000 - - - - 118 C -7.02192 -8.91562 -1.43955 0.0240 C_gamma___Leu 0 7 0.0000 - - - - 119 C -6.33037 -10.13519 -2.07137 -0.0120 C_delta_1_Leu 0 7 0.0000 - - - - 120 C -6.65581 -8.82378 0.05739 -0.0120 C_delta_2_Leu 0 7 0.0000 - - - - 121 H -9.09431 -7.15827 -3.17614 0.2889 H_amide___Leu 0 7 0.0000 - - - - 122 H -7.66686 -6.40476 -0.73471 0.0689 H_alpha___Leu 0 7 0.0000 - - - - 123 H -6.80277 -7.78190 -3.27592 0.0000 H_beta__1_Leu 0 7 0.0000 - - - - 124 H -5.66773 -7.34412 -2.05039 0.0000 H_beta__2_Leu 0 7 0.0000 - - - - 125 H -8.09374 -9.09645 -1.50331 0.0000 H_gamma___Leu 0 7 0.0000 - - - - 126 H -6.56023 -10.22318 -3.13213 0.0000 H_delta11_Leu 0 7 0.0000 - - - - 127 H -5.25107 -10.08232 -1.97374 0.0000 H_delta12_Leu 0 7 0.0000 - - - - 128 H -6.65393 -11.05318 -1.58775 0.0000 H_delta13_Leu 0 7 0.0000 - - - - 129 H -5.60251 -8.60329 0.20842 0.0000 H_delta21_Leu 0 7 0.0000 - - - - 130 H -7.21930 -8.05455 0.57645 0.0000 H_delta22_Leu 0 7 0.0000 - - - - 131 H -6.85991 -9.75768 0.57555 0.0000 H_delta23_Leu 0 7 0.0000 - - - - 132 N -6.23574 -4.42714 -1.30750 -0.4617 N_amide___Lys 0 8 0.0000 - - - - 133 C -5.52801 -3.13923 -1.47537 0.0512 C_alpha___Lys 0 8 0.0000 - - - - 134 C -4.04554 -3.17745 -1.02005 0.5970 C_amide___Lys 0 8 0.0000 - - - - 135 O -3.62417 -4.08492 -0.29061 -0.5421 O_amide___Lys 0 8 0.0000 - - - - 136 C -6.26821 -2.01945 -0.70619 -0.0621 C_beta____Lys 0 8 0.0000 - - - - 137 C -7.69007 -1.69044 -1.19335 -0.0020 C_gamma___Lys 0 8 0.0000 - - - - 138 C -8.33716 -0.49601 -0.46431 -0.0019 C_delta___Lys 0 8 0.0000 - - - - 139 C -9.67464 -0.05395 -1.08672 0.2731 C_epsilon_Lys 0 8 0.0000 - - - - 140 N -10.74123 -1.05601 -0.89637 -0.5467 N_zeta____Lys 0 8 0.0000 - - - - 141 H -6.10831 -4.88965 -0.42051 0.2889 H_amide___Lys 0 8 0.0000 - - - - 142 H -5.52816 -2.87058 -2.53499 0.0689 H_alpha___Lys 0 8 0.0000 - - - - 143 H -6.29599 -2.25932 0.35620 0.0300 H_beta__1_Lys 0 8 0.0000 - - - - 144 H -5.67666 -1.10644 -0.77833 0.0300 H_beta__2_Lys 0 8 0.0000 - - - - 145 H -7.64516 -1.47047 -2.25789 0.0300 H_gamma_1_Lys 0 8 0.0000 - - - - 146 H -8.32490 -2.56850 -1.09761 0.0300 H_gamma_2_Lys 0 8 0.0000 - - - - 147 H -8.45432 -0.69836 0.60023 0.0300 H_delta_1_Lys 0 8 0.0000 - - - - 148 H -7.65077 0.34747 -0.51381 0.0300 H_delta_2_Lys 0 8 0.0000 - - - - 149 H -9.98888 0.88356 -0.62929 0.0300 H_epsilon1Lys 0 8 0.0000 - - - - 150 H -9.52016 0.10917 -2.15447 0.0300 H_epsilon2Lys 0 8 0.0000 - - - - 151 H -10.33209 -1.95635 -0.69156 0.3658 H_zeta__1_Lys 0 8 0.3334 - - - - 152 H -11.32988 -0.78858 -0.12148 0.3658 H_zeta__2_Lys 0 8 0.3333 - - - - 153 H -11.29902 -1.11327 -1.73506 0.3658 H_zeta__3_Lys 0 8 0.3333 - - - - 154 N -3.25091 -2.17436 -1.42993 -0.4617 N_amide___Asp 0 9 0.0000 - - - - 155 C -1.81391 -2.03778 -1.13804 0.0512 C_alpha___Asp 0 9 0.0000 - - - - 156 C -1.33783 -0.56282 -0.98447 0.5970 C_amide___Asp 0 9 0.0000 - - - - 157 O -1.96364 0.36472 -1.51648 -0.5421 O_amide___Asp 0 9 0.0000 - - - - 158 C -1.05003 -2.77266 -2.26647 -0.3426 C_beta____Asp 0 9 0.0000 - - - - 159 C 0.39157 -3.10910 -1.89477 1.0538 C_gamma___Asp 0 9 0.0000 - - - - 160 O 1.31533 -2.56799 -2.53534 -0.8867 O_delta_1_Asp 0 9 -0.5000 - - - - 161 O 0.57045 -3.93209 -0.95873 -0.8867 O_delta_2_Asp 0 9 -0.5000 - - - - 162 H -3.66919 -1.45454 -2.00203 0.2889 H_amide___Asp 0 9 0.0000 - - - - 163 H -1.61808 -2.53735 -0.18484 0.0689 H_alpha___Asp 0 9 0.0000 - - - - 164 H -1.54214 -3.70486 -2.53651 0.0300 H_beta_1__Asp 0 9 0.0000 - - - - 165 H -1.06565 -2.15168 -3.15964 0.0300 H_beta_2__Asp 0 9 0.0000 - - - - 166 N -0.19435 -0.34387 -0.31623 -0.4617 N_amide___Gly 0 10 0.0000 - - - - 167 C 0.45790 0.96976 -0.14965 -0.0199 C_alpha___Gly 0 10 0.0000 - - - - 168 C 1.41390 1.07259 1.05745 0.5970 C_amide___Gly 0 10 0.0000 - - - - 169 O 1.15737 0.48761 2.11723 -0.5421 O_amide___Gly 0 10 0.0000 - - - - 170 H 0.25832 -1.14152 0.11143 0.2889 H_amide___Gly 0 10 0.0000 - - - - 171 H 1.01651 1.18562 -1.06312 0.0689 H_alpha_1_Gly 0 10 0.0000 - - - - 172 H -0.29795 1.74733 -0.03937 0.0689 H_alpha_2_Gly 0 10 0.0000 - - - - 173 N 2.52466 1.80725 0.89768 -0.4617 N_amide___Gly 0 11 0.0000 - - - - 174 C 3.60583 1.92999 1.89527 -0.0199 C_alpha___Gly 0 11 0.0000 - - - - 175 C 4.86807 2.67367 1.39957 0.5970 C_amide___Gly 0 11 0.0000 - - - - 176 O 5.81250 2.00157 0.95673 -0.5421 O_amide___Gly 0 11 0.0000 - - - - 177 H 2.63980 2.28792 0.01604 0.2889 H_amide___Gly 0 11 0.0000 - - - - 178 H 3.22147 2.42145 2.78903 0.0689 H_alpha_1_Gly 0 11 0.0000 - - - - 179 H 3.90692 0.92564 2.19324 0.0689 H_alpha_2_Gly 0 11 0.0000 - - - - 180 N 4.91510 4.02511 1.47935 -0.0881 N_amide___Pro 0 12 0.0000 - - - - 181 C 5.99807 4.86400 0.95150 -0.0346 C_alpha___Pro 0 12 0.0000 - - - - 182 C 6.88121 5.46973 2.06681 0.3337 C_amide___Pro 0 12 0.0000 - - - - 183 O 6.37381 5.95971 3.07913 -0.4345 O_amide___Pro 0 12 0.0000 - - - - 184 C 5.26854 5.95695 0.16022 -0.0034 C_beta____Pro 0 12 0.0000 - - - - 185 C 3.90136 6.09608 0.84517 0.0131 C_gamma___Pro 0 12 0.0000 - - - - 186 C 3.77859 4.88986 1.78513 -0.0119 C_delta___Pro 0 12 0.0000 - - - - 187 H 6.62201 4.29491 0.26083 0.0600 H_alpha___Pro 0 12 0.0000 - - - - 188 H 5.81327 6.89823 0.12793 0.0193 H_beta__1_Pro 0 12 0.0000 - - - - 189 H 5.13884 5.63556 -0.87153 0.0193 H_beta__2_Pro 0 12 0.0000 - - - - 190 H 3.83383 7.02429 1.40715 0.0196 H_gamma_1_Pro 0 12 0.0000 - - - - 191 H 3.10399 6.10614 0.10618 0.0196 H_gamma_2_Pro 0 12 0.0000 - - - - 192 H 3.84847 5.21810 2.82242 0.0440 H_delta_1_Pro 0 12 0.0000 - - - - 193 H 2.82064 4.39298 1.62958 0.0440 H_delta_2_Pro 0 12 0.0000 - - - - 194 N 8.20962 5.48746 1.86454 -0.4617 N_amide___Ser 0 13 0.0000 - - - - 195 C 9.21782 6.06835 2.79722 0.0296 C_alpha___Ser 0 13 0.0000 - - - - 196 C 10.33337 6.90130 2.11750 0.5970 C_amide___Ser 0 13 0.0000 - - - - 197 O 10.60941 6.76039 0.91799 -0.5421 O_amide___Ser 0 13 0.0000 - - - - 198 C 9.91084 4.99167 3.66596 0.2735 C_beta____Ser 0 13 0.0000 - - - - 199 O 9.01796 4.02814 4.20942 -0.6541 O_H_______Ser 0 13 0.0000 - - - - 200 H 8.56151 5.12889 0.98543 0.2889 H_amide___Ser 0 13 0.0000 - - - - 201 H 8.69924 6.73552 3.49043 0.0689 H_alpha___Ser 0 13 0.0000 - - - - 202 H 10.67257 4.47730 3.07697 0.0000 H_beta__1_Ser 0 13 0.0000 - - - - 203 H 10.40950 5.49681 4.49371 0.0000 H_beta__2_Ser 0 13 0.0000 - - - - 204 H 8.76750 3.43911 3.48554 0.4000 H_O_______Ser 0 13 0.0000 - - - - 205 N 11.00155 7.75170 2.91084 -0.4617 N_amide___Ser 0 14 0.0000 - - - - 206 C 12.14929 8.61950 2.55210 0.0296 C_alpha___Ser 0 14 0.0000 - - - - 207 C 13.29742 8.56365 3.59675 0.5970 C_amide___Ser 0 14 0.0000 - - - - 208 O 13.15437 7.95826 4.67130 -0.5421 O_amide___Ser 0 14 0.0000 - - - - 209 C 11.63012 10.06048 2.39244 0.2735 C_beta____Ser 0 14 0.0000 - - - - 210 O 12.60971 10.94999 1.88217 -0.6541 O_H_______Ser 0 14 0.0000 - - - - 211 H 10.71200 7.78803 3.87846 0.2889 H_amide___Ser 0 14 0.0000 - - - - 212 H 12.55493 8.29998 1.59064 0.0689 H_alpha___Ser 0 14 0.0000 - - - - 213 H 10.78535 10.05546 1.70298 0.0000 H_beta__1_Ser 0 14 0.0000 - - - - 214 H 11.28340 10.41874 3.36200 0.0000 H_beta__2_Ser 0 14 0.0000 - - - - 215 H 12.23338 11.83739 1.93907 0.4000 H_O_______Ser 0 14 0.0000 - - - - 216 N 14.45113 9.18306 3.29940 -0.4617 N_amide___Gly 0 15 0.0000 - - - - 217 C 15.63863 9.24900 4.17703 -0.0199 C_alpha___Gly 0 15 0.0000 - - - - 218 C 16.69975 10.29033 3.77708 0.5970 C_amide___Gly 0 15 0.0000 - - - - 219 O 16.90244 10.56342 2.58769 -0.5421 O_amide___Gly 0 15 0.0000 - - - - 220 H 14.47975 9.71944 2.43828 0.2889 H_amide___Gly 0 15 0.0000 - - - - 221 H 15.30319 9.48149 5.18912 0.0689 H_alpha_1_Gly 0 15 0.0000 - - - - 222 H 16.12002 8.27198 4.21529 0.0689 H_alpha_2_Gly 0 15 0.0000 - - - - 223 N 17.37945 10.88372 4.76962 -0.4617 N_amide___Arg 0 16 0.0000 - - - - 224 C 18.32539 12.00401 4.60201 0.0512 C_alpha___Arg 0 16 0.0000 - - - - 225 C 19.80897 11.59003 4.37393 0.5970 C_amide___Arg 0 16 0.0000 - - - - 226 O 20.23834 10.53312 4.86347 -0.5421 O_amide___Arg 0 16 0.0000 - - - - 227 C 18.17264 12.99453 5.78378 -0.0622 C_beta____Arg 0 16 0.0000 - - - - 228 C 18.63871 12.52907 7.18419 0.0584 C_gamma___Arg 0 16 0.0000 - - - - 229 C 20.14651 12.49986 7.50518 0.0270 C_delta___Arg 0 16 0.0000 - - - - 230 N 20.78318 13.81456 7.29146 -0.3234 N_epsilon_Arg 0 16 0.0000 - - - - 231 C 20.92878 14.78483 8.18765 0.5911 C_zeta____Arg 0 16 0.0000 - - - - 232 N 20.48909 14.71811 9.42776 -0.8141 N_eta___1_Arg 0 16 0.0000 - - - - 233 N 21.53980 15.89167 7.85213 -0.8141 N_eta___2_Arg 0 16 0.0000 - - - - 234 H 17.18482 10.58959 5.71562 0.2889 H_amide___Arg 0 16 0.0000 - - - - 235 H 17.99235 12.54473 3.71375 0.0689 H_alpha___Arg 0 16 0.0000 - - - - 236 H 18.65926 13.93605 5.52916 0.0300 H_beta__1_Arg 0 16 0.0000 - - - - 237 H 17.11809 13.25498 5.86763 0.0300 H_beta__2_Arg 0 16 0.0000 - - - - 238 H 18.17124 13.17122 7.92698 0.0300 H_gamma_1_Arg 0 16 0.0000 - - - - 239 H 18.23090 11.53938 7.37813 0.0300 H_gamma_2_Arg 0 16 0.0000 - - - - 240 H 20.28173 12.19743 8.54822 0.0761 H_delta_1_Arg 0 16 0.0000 - - - - 241 H 20.65404 11.75582 6.89211 0.0761 H_delta_2_Arg 0 16 0.0000 - - - - 242 H 21.11657 14.02981 6.36186 0.3069 H_epsilon_Arg 0 16 0.0000 - - - - 243 H 20.00913 13.88911 9.74865 0.4390 H_eta__11_Arg 0 16 0.2500 - - - - 244 H 20.62999 15.50422 10.04125 0.4390 H_eta__12_Arg 0 16 0.2500 - - - - 245 H 21.91988 15.99735 6.92017 0.4390 H_eta__21_Arg 0 16 0.2500 - - - - 246 H 21.63680 16.62701 8.53831 0.4390 H_eta__22_Arg 0 16 0.2500 - - - - 247 N 20.61717 12.45141 3.71193 -0.0881 N_amide___Pro 0 17 0.0000 - - - - 248 C 22.07997 12.37134 3.63066 -0.0346 C_alpha___Pro 0 17 0.0000 - - - - 249 C 22.78459 13.33624 4.62909 0.3337 C_amide___Pro 0 17 0.0000 - - - - 250 O 22.30708 14.46180 4.81776 -0.4345 O_amide___Pro 0 17 0.0000 - - - - 251 C 22.38997 12.74244 2.17297 -0.0034 C_beta____Pro 0 17 0.0000 - - - - 252 C 21.34846 13.82178 1.87454 0.0131 C_gamma___Pro 0 17 0.0000 - - - - 253 C 20.13947 13.41321 2.72306 -0.0119 C_delta___Pro 0 17 0.0000 - - - - 254 H 22.40110 11.34399 3.80156 0.0600 H_alpha___Pro 0 17 0.0000 - - - - 255 H 23.40904 13.07710 2.01360 0.0193 H_beta__1_Pro 0 17 0.0000 - - - - 256 H 22.22629 11.88347 1.51963 0.0193 H_beta__2_Pro 0 17 0.0000 - - - - 257 H 21.71539 14.79435 2.19248 0.0196 H_gamma_1_Pro 0 17 0.0000 - - - - 258 H 21.10648 13.90098 0.82062 0.0196 H_gamma_2_Pro 0 17 0.0000 - - - - 259 H 19.70207 14.28504 3.20966 0.0440 H_delta_1_Pro 0 17 0.0000 - - - - 260 H 19.40174 12.93268 2.07935 0.0440 H_delta_2_Pro 0 17 0.0000 - - - - 261 N 23.91281 12.93866 5.26296 -0.0881 N_amide___Pro 0 18 0.0000 - - - - 262 C 24.62395 13.75944 6.24952 -0.0346 C_alpha___Pro 0 18 0.0000 - - - - 263 C 25.62651 14.77396 5.64907 0.3337 C_amide___Pro 0 18 0.0000 - - - - 264 O 26.27484 14.46898 4.64174 -0.4345 O_amide___Pro 0 18 0.0000 - - - - 265 C 25.31992 12.78439 7.20520 -0.0034 C_beta____Pro 0 18 0.0000 - - - - 266 C 25.53164 11.52692 6.35734 0.0131 C_gamma___Pro 0 18 0.0000 - - - - 267 C 24.41607 11.56967 5.30012 -0.0119 C_delta___Pro 0 18 0.0000 - - - - 268 H 23.87494 14.28558 6.83760 0.0600 H_alpha___Pro 0 18 0.0000 - - - - 269 H 26.25322 13.17594 7.61714 0.0193 H_beta__1_Pro 0 18 0.0000 - - - - 270 H 24.66089 12.56660 8.04618 0.0193 H_beta__2_Pro 0 18 0.0000 - - - - 271 H 26.50827 11.55810 5.87713 0.0196 H_gamma_1_Pro 0 18 0.0000 - - - - 272 H 25.49770 10.61947 6.95876 0.0196 H_gamma_2_Pro 0 18 0.0000 - - - - 273 H 24.79981 11.26804 4.32425 0.0440 H_delta_1_Pro 0 18 0.0000 - - - - 274 H 23.60948 10.90499 5.61333 0.0440 H_delta_2_Pro 0 18 0.0000 - - - - 275 N 25.82274 15.94133 6.30561 -0.0881 N_amide___Pro 0 19 0.0000 - - - - 276 C 26.83342 16.94974 5.96468 -0.0346 C_alpha___Pro 0 19 0.0000 - - - - 277 C 28.09248 16.92032 6.85665 0.3337 C_amide___Pro 0 19 0.0000 - - - - 278 O 28.04890 16.53310 8.02646 -0.4345 O_amide___Pro 0 19 0.0000 - - - - 279 C 26.11044 18.29804 6.10594 -0.0034 C_beta____Pro 0 19 0.0000 - - - - 280 C 25.12694 18.04323 7.25592 0.0131 C_gamma___Pro 0 19 0.0000 - - - - 281 C 24.84689 16.53819 7.21165 -0.0119 C_delta___Pro 0 19 0.0000 - - - - 282 H 27.14316 16.82409 4.92636 0.0600 H_alpha___Pro 0 19 0.0000 - - - - 283 H 26.78064 19.13141 6.30824 0.0193 H_beta__1_Pro 0 19 0.0000 - - - - 284 H 25.56449 18.53763 5.19507 0.0193 H_beta__2_Pro 0 19 0.0000 - - - - 285 H 25.56808 18.30734 8.21433 0.0196 H_gamma_1_Pro 0 19 0.0000 - - - - 286 H 24.21595 18.62658 7.15182 0.0196 H_gamma_2_Pro 0 19 0.0000 - - - - 287 H 24.92434 16.10722 8.21031 0.0440 H_delta_1_Pro 0 19 0.0000 - - - - 288 H 23.84266 16.38812 6.81470 0.0440 H_delta_2_Pro 0 19 0.0000 - - - - 289 N 29.20251 17.42852 6.30926 -0.4617 N_amide___Ser 0 20 0.0000 - - - - 290 C 30.43262 17.81334 7.04256 0.0296 C_alpha___Ser 0 20 0.0000 - - - - 291 C 30.50208 19.30686 7.42145 0.5970 C_amide___Ser 0 20 0.0000 - - - - 292 O 29.77645 20.17325 6.90614 -0.5421 O_amide___Ser 0 20 0.0000 - - - - 293 C 31.70121 17.43252 6.25549 0.2735 C_beta____Ser 0 20 0.0000 - - - - 294 O 31.90083 16.02771 6.20982 -0.6541 O_H_______Ser 0 20 0.0000 - - - - 295 H 29.16352 17.68645 5.33301 0.2889 H_amide___Ser 0 20 0.0000 - - - - 296 H 30.46725 17.26851 7.98572 0.0689 H_alpha___Ser 0 20 0.0000 - - - - 297 H 31.64511 17.83235 5.24223 0.0000 H_beta__1_Ser 0 20 0.0000 - - - - 298 H 32.56072 17.87246 6.75568 0.0000 H_beta__2_Ser 0 20 0.0000 - - - - 299 H 32.74679 15.87353 5.77028 0.4000 H_O_______Ser 0 20 0.0000 - - - - 300 H -24.69478 -17.21578 -5.80305 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