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polyGLY.pdb
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polyGLY.pdb
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REMARK 1 CREATED WITH OPENMM 7.3, 2019-02-21
ATOM 1 N GLY A 1 -36.753 -23.815 -2.134 1.00 0.00 N
ATOM 2 H GLY A 1 -37.106 -24.760 -2.199 1.00 0.00 H
ATOM 3 H2 GLY A 1 -37.083 -23.276 -2.926 1.00 0.00 H
ATOM 4 H3 GLY A 1 -37.100 -23.382 -1.289 1.00 0.00 H
ATOM 5 CA GLY A 1 -35.304 -23.815 -2.134 1.00 0.00 C
ATOM 6 HA2 GLY A 1 -34.929 -24.337 -1.254 1.00 0.00 H
ATOM 7 HA3 GLY A 1 -34.936 -24.310 -3.033 1.00 0.00 H
ATOM 8 C GLY A 1 -34.781 -22.386 -2.134 1.00 0.00 C
ATOM 9 O GLY A 1 -35.271 -21.544 -2.883 1.00 0.00 O
ATOM 10 N GLY A 2 -33.783 -22.114 -1.290 1.00 0.00 N
ATOM 11 H GLY A 2 -33.353 -22.837 -0.727 1.00 0.00 H
ATOM 12 CA GLY A 2 -33.198 -20.792 -1.195 1.00 0.00 C
ATOM 13 HA2 GLY A 2 -33.434 -20.193 -2.076 1.00 0.00 H
ATOM 14 HA3 GLY A 2 -33.584 -20.276 -0.316 1.00 0.00 H
ATOM 15 C GLY A 2 -31.686 -20.897 -1.065 1.00 0.00 C
ATOM 16 O GLY A 2 -31.183 -21.711 -0.294 1.00 0.00 O
ATOM 17 N GLY A 3 -30.961 -20.069 -1.821 1.00 0.00 N
ATOM 18 H GLY A 3 -31.415 -19.390 -2.416 1.00 0.00 H
ATOM 19 CA GLY A 3 -29.513 -20.072 -1.788 1.00 0.00 C
ATOM 20 HA2 GLY A 3 -29.144 -20.561 -0.885 1.00 0.00 H
ATOM 21 HA3 GLY A 3 -29.124 -20.608 -2.654 1.00 0.00 H
ATOM 22 C GLY A 3 -28.987 -18.644 -1.826 1.00 0.00 C
ATOM 23 O GLY A 3 -29.458 -17.828 -2.616 1.00 0.00 O
ATOM 24 N GLY A 4 -28.007 -18.345 -0.970 1.00 0.00 N
ATOM 25 H GLY A 4 -27.636 -19.056 -0.355 1.00 0.00 H
ATOM 26 CA GLY A 4 -27.422 -17.021 -0.908 1.00 0.00 C
ATOM 27 HA2 GLY A 4 -27.831 -16.476 -0.057 1.00 0.00 H
ATOM 28 HA3 GLY A 4 -27.640 -16.456 -1.815 1.00 0.00 H
ATOM 29 C GLY A 4 -25.913 -17.123 -0.740 1.00 0.00 C
ATOM 30 O GLY A 4 -25.430 -17.911 0.071 1.00 0.00 O
ATOM 31 N GLY A 5 -25.170 -16.324 -1.508 1.00 0.00 N
ATOM 32 H GLY A 5 -25.613 -15.677 -2.144 1.00 0.00 H
ATOM 33 CA GLY A 5 -23.722 -16.327 -1.442 1.00 0.00 C
ATOM 34 HA2 GLY A 5 -23.316 -16.895 -2.279 1.00 0.00 H
ATOM 35 HA3 GLY A 5 -23.375 -16.785 -0.514 1.00 0.00 H
ATOM 36 C GLY A 5 -23.192 -14.903 -1.518 1.00 0.00 C
ATOM 37 O GLY A 5 -23.643 -14.115 -2.347 1.00 0.00 O
ATOM 38 N GLY A 6 -22.232 -14.575 -0.651 1.00 0.00 N
ATOM 39 H GLY A 6 -21.877 -15.264 -0.003 1.00 0.00 H
ATOM 40 CA GLY A 6 -21.645 -13.250 -0.622 1.00 0.00 C
ATOM 41 HA2 GLY A 6 -22.072 -12.675 0.199 1.00 0.00 H
ATOM 42 HA3 GLY A 6 -21.840 -12.717 -1.554 1.00 0.00 H
ATOM 43 C GLY A 6 -20.140 -13.349 -0.415 1.00 0.00 C
ATOM 44 O GLY A 6 -19.678 -14.109 0.433 1.00 0.00 O
ATOM 45 N GLY A 7 -19.378 -12.579 -1.195 1.00 0.00 N
ATOM 46 H GLY A 7 -19.805 -11.954 -1.864 1.00 0.00 H
ATOM 47 CA GLY A 7 -17.932 -12.582 -1.095 1.00 0.00 C
ATOM 48 HA2 GLY A 7 -17.508 -13.179 -1.902 1.00 0.00 H
ATOM 49 HA3 GLY A 7 -17.608 -13.007 -0.144 1.00 0.00 H
ATOM 50 C GLY A 7 -17.397 -11.162 -1.209 1.00 0.00 C
ATOM 51 O GLY A 7 -17.827 -10.403 -2.075 1.00 0.00 O
ATOM 52 N GLY A 8 -16.456 -10.805 -0.332 1.00 0.00 N
ATOM 53 H GLY A 8 -16.118 -11.471 0.348 1.00 0.00 H
ATOM 54 CA GLY A 8 -15.867 -9.481 -0.337 1.00 0.00 C
ATOM 55 HA2 GLY A 8 -16.311 -8.876 0.453 1.00 0.00 H
ATOM 56 HA3 GLY A 8 -16.039 -8.982 -1.291 1.00 0.00 H
ATOM 57 C GLY A 8 -14.367 -9.575 -0.092 1.00 0.00 C
ATOM 58 O GLY A 8 -13.926 -10.305 0.793 1.00 0.00 O
ATOM 59 N GLY A 9 -13.586 -8.834 -0.880 1.00 0.00 N
ATOM 60 H GLY A 9 -13.996 -8.232 -1.580 1.00 0.00 H
ATOM 61 CA GLY A 9 -12.143 -8.836 -0.747 1.00 0.00 C
ATOM 62 HA2 GLY A 9 -11.702 -9.462 -1.522 1.00 0.00 H
ATOM 63 HA3 GLY A 9 -11.842 -9.228 0.226 1.00 0.00 H
ATOM 64 C GLY A 9 -11.602 -7.421 -0.899 1.00 0.00 C
ATOM 65 O GLY A 9 -12.010 -6.693 -1.801 1.00 0.00 O
ATOM 66 N GLY A 10 -10.680 -7.035 -0.014 1.00 0.00 N
ATOM 67 H GLY A 10 -10.359 -7.677 0.697 1.00 0.00 H
ATOM 68 CA GLY A 10 -10.088 -5.713 -0.052 1.00 0.00 C
ATOM 69 HA2 GLY A 10 -10.549 -5.080 0.706 1.00 0.00 H
ATOM 70 HA3 GLY A 10 -10.237 -5.247 -1.027 1.00 0.00 H
ATOM 71 C GLY A 10 -8.595 -5.801 0.230 1.00 0.00 C
ATOM 72 O GLY A 10 -8.176 -6.499 1.150 1.00 0.00 O
ATOM 73 N GLY A 11 -7.794 -5.089 -0.565 1.00 0.00 N
ATOM 74 H GLY A 11 -8.187 -4.512 -1.295 1.00 0.00 H
ATOM 75 CA GLY A 11 -6.354 -5.088 -0.400 1.00 0.00 C
ATOM 76 HA2 GLY A 11 -6.075 -5.446 0.592 1.00 0.00 H
ATOM 77 HA3 GLY A 11 -5.897 -5.742 -1.143 1.00 0.00 H
ATOM 78 C GLY A 11 -5.806 -3.681 -0.589 1.00 0.00 C
ATOM 79 O GLY A 11 -6.192 -2.984 -1.525 1.00 0.00 O
ATOM 80 N GLY A 12 -4.905 -3.265 0.304 1.00 0.00 N
ATOM 81 H GLY A 12 -4.602 -3.882 1.044 1.00 0.00 H
ATOM 82 CA GLY A 12 -4.309 -1.946 0.233 1.00 0.00 C
ATOM 83 HA2 GLY A 12 -4.785 -1.286 0.958 1.00 0.00 H
ATOM 84 HA3 GLY A 12 -4.435 -1.515 -0.761 1.00 0.00 H
ATOM 85 C GLY A 12 -2.823 -2.026 0.552 1.00 0.00 C
ATOM 86 O GLY A 12 -2.426 -2.693 1.505 1.00 0.00 O
ATOM 87 N GLY A 13 -2.002 -1.344 -0.250 1.00 0.00 N
ATOM 88 H GLY A 13 -2.377 -0.792 -1.009 1.00 0.00 H
ATOM 89 CA GLY A 13 -0.566 -1.339 -0.051 1.00 0.00 C
ATOM 90 HA2 GLY A 13 -0.093 -2.019 -0.759 1.00 0.00 H
ATOM 91 HA3 GLY A 13 -0.312 -1.662 0.959 1.00 0.00 H
ATOM 92 C GLY A 13 -0.011 0.060 -0.277 1.00 0.00 C
ATOM 93 O GLY A 13 -0.374 0.724 -1.246 1.00 0.00 O
ATOM 94 N GLY A 14 0.871 0.505 0.621 1.00 0.00 N
ATOM 95 H GLY A 14 1.156 -0.086 1.389 1.00 0.00 H
ATOM 96 CA GLY A 14 1.472 1.820 0.517 1.00 0.00 C
ATOM 97 HA2 GLY A 14 1.370 2.216 -0.494 1.00 0.00 H
ATOM 98 HA3 GLY A 14 0.981 2.506 1.207 1.00 0.00 H
ATOM 99 C GLY A 14 2.950 1.749 0.873 1.00 0.00 C
ATOM 100 O GLY A 14 3.323 1.116 1.858 1.00 0.00 O
ATOM 101 N GLY A 15 3.790 2.401 0.066 1.00 0.00 N
ATOM 102 H GLY A 15 3.434 2.927 -0.720 1.00 0.00 H
ATOM 103 CA GLY A 15 5.221 2.410 0.298 1.00 0.00 C
ATOM 104 HA2 GLY A 15 5.708 1.704 -0.374 1.00 0.00 H
ATOM 105 HA3 GLY A 15 5.451 2.124 1.325 1.00 0.00 H
ATOM 106 C GLY A 15 5.784 3.800 0.035 1.00 0.00 C
ATOM 107 O GLY A 15 5.445 4.430 -0.964 1.00 0.00 O
ATOM 108 N GLY A 16 6.647 4.275 0.937 1.00 0.00 N
ATOM 109 H GLY A 16 6.912 3.711 1.732 1.00 0.00 H
ATOM 110 CA GLY A 16 7.252 5.584 0.801 1.00 0.00 C
ATOM 111 HA2 GLY A 16 6.747 6.294 1.455 1.00 0.00 H
ATOM 112 HA3 GLY A 16 7.173 5.945 -0.225 1.00 0.00 H
ATOM 113 C GLY A 16 8.722 5.524 1.192 1.00 0.00 C
ATOM 114 O GLY A 16 9.071 4.925 2.208 1.00 0.00 O
ATOM 115 N GLY A 17 9.582 6.146 0.383 1.00 0.00 N
ATOM 116 H GLY A 17 9.245 6.644 -0.429 1.00 0.00 H
ATOM 117 CA GLY A 17 11.007 6.161 0.647 1.00 0.00 C
ATOM 118 HA2 GLY A 17 11.508 5.431 0.011 1.00 0.00 H
ATOM 119 HA3 GLY A 17 11.213 5.909 1.688 1.00 0.00 H
ATOM 120 C GLY A 17 11.580 7.540 0.349 1.00 0.00 C
ATOM 121 O GLY A 17 11.265 8.135 -0.680 1.00 0.00 O
ATOM 122 N GLY A 18 12.422 8.045 1.252 1.00 0.00 N
ATOM 123 H GLY A 18 12.668 7.509 2.072 1.00 0.00 H
ATOM 124 CA GLY A 18 13.034 9.348 1.084 1.00 0.00 C
ATOM 125 HA2 GLY A 18 12.980 9.673 0.044 1.00 0.00 H
ATOM 126 HA3 GLY A 18 12.516 10.082 1.701 1.00 0.00 H
ATOM 127 C GLY A 18 14.494 9.299 1.511 1.00 0.00 C
ATOM 128 O GLY A 18 14.818 8.736 2.555 1.00 0.00 O
ATOM 129 N GLY A 19 15.374 9.891 0.701 1.00 0.00 N
ATOM 130 H GLY A 19 15.057 10.361 -0.135 1.00 0.00 H
ATOM 131 CA GLY A 19 16.793 9.913 0.996 1.00 0.00 C
ATOM 132 HA2 GLY A 19 16.975 9.698 2.050 1.00 0.00 H
ATOM 133 HA3 GLY A 19 17.306 9.161 0.397 1.00 0.00 H
ATOM 134 C GLY A 19 17.375 11.279 0.663 1.00 0.00 C
ATOM 135 O GLY A 19 17.085 11.838 -0.393 1.00 0.00 O
ATOM 136 N GLY A 20 18.198 11.815 1.567 1.00 0.00 N
ATOM 137 H GLY A 20 18.424 11.308 2.411 1.00 0.00 H
ATOM 138 CA GLY A 20 18.817 13.110 1.367 1.00 0.00 C
ATOM 139 HA2 GLY A 20 18.286 13.866 1.945 1.00 0.00 H
ATOM 140 HA3 GLY A 20 18.788 13.397 0.315 1.00 0.00 H
ATOM 141 C GLY A 20 20.266 13.074 1.829 1.00 0.00 C
ATOM 142 O GLY A 20 20.565 12.548 2.899 1.00 0.00 O
ATOM 143 N GLY A 21 21.166 13.636 1.019 1.00 0.00 N
ATOM 144 H GLY A 21 20.870 14.076 0.159 1.00 0.00 H
ATOM 145 CA GLY A 21 22.577 13.666 1.346 1.00 0.00 C
ATOM 146 HA2 GLY A 21 22.734 13.488 2.411 1.00 0.00 H
ATOM 147 HA3 GLY A 21 23.102 12.892 0.786 1.00 0.00 H
ATOM 148 C GLY A 21 23.170 15.019 0.978 1.00 0.00 C
ATOM 149 O GLY A 21 22.906 15.541 -0.103 1.00 0.00 O
ATOM 150 N GLY A 22 23.974 15.585 1.881 1.00 0.00 N
ATOM 151 H GLY A 22 24.180 15.107 2.747 1.00 0.00 H
ATOM 152 CA GLY A 22 24.600 16.871 1.650 1.00 0.00 C
ATOM 153 HA2 GLY A 22 24.058 17.648 2.189 1.00 0.00 H
ATOM 154 HA3 GLY A 22 24.596 17.121 0.588 1.00 0.00 H
ATOM 155 C GLY A 22 26.039 16.849 2.147 1.00 0.00 C
ATOM 156 O GLY A 22 26.312 16.361 3.241 1.00 0.00 O
ATOM 157 N GLY A 23 26.958 17.381 1.338 1.00 0.00 N
ATOM 158 H GLY A 23 26.682 17.792 0.457 1.00 0.00 H
ATOM 159 CA GLY A 23 28.361 17.421 1.695 1.00 0.00 C
ATOM 160 HA2 GLY A 23 28.897 16.628 1.175 1.00 0.00 H
ATOM 161 HA3 GLY A 23 28.495 17.280 2.769 1.00 0.00 H
ATOM 162 C GLY A 23 28.966 18.759 1.294 1.00 0.00 C
ATOM 163 O GLY A 23 28.728 19.243 0.190 1.00 0.00 O
ATOM 164 N GLY A 24 29.750 19.355 2.195 1.00 0.00 N
ATOM 165 H GLY A 24 29.952 18.904 3.076 1.00 0.00 H
ATOM 166 CA GLY A 24 30.384 20.631 1.933 1.00 0.00 C
ATOM 167 HA2 GLY A 24 30.410 20.843 0.863 1.00 0.00 H
ATOM 168 HA3 GLY A 24 29.834 21.430 2.430 1.00 0.00 H
ATOM 169 C GLY A 24 31.811 20.625 2.463 1.00 0.00 C
ATOM 170 O GLY A 24 32.058 20.174 3.579 1.00 0.00 O
ATOM 171 N GLY A 25 32.750 21.126 1.657 1.00 0.00 N
ATOM 172 H GLY A 25 32.511 21.575 0.783 1.00 0.00 H
ATOM 173 CA GLY A 25 34.145 21.176 2.045 1.00 0.00 C
ATOM 174 HA2 GLY A 25 34.267 21.103 3.125 1.00 0.00 H
ATOM 175 HA3 GLY A 25 34.703 20.379 1.562 1.00 0.00 H
ATOM 176 C GLY A 25 34.761 22.498 1.611 1.00 0.00 C
ATOM 177 O GLY A 25 34.508 22.885 0.472 1.00 0.00 O
ATOM 178 OXT GLY A 25 35.466 23.081 2.431 1.00 0.00 O
TER 179 GLY A 25
END