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complex_solute.pdb
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213 lines (213 loc) · 13.8 KB
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ATOM 1 N SER 1 3.326 1.548 -0.000 1.00 0.00
ATOM 2 H SER 1 3.909 0.724 -0.000 1.00 0.00
ATOM 3 CA SER 1 3.970 2.846 -0.000 1.00 0.00
ATOM 4 HA SER 1 3.672 3.400 -0.890 1.00 0.00
ATOM 5 CB SER 1 3.577 3.654 1.232 1.00 0.00
ATOM 6 HB2 SER 1 2.497 3.801 1.241 1.00 0.00
ATOM 7 HB3 SER 1 3.877 3.116 2.131 1.00 0.00
ATOM 8 OG SER 1 4.231 4.925 1.197 1.00 0.00
ATOM 9 HG SER 1 3.983 5.434 1.973 1.00 0.00
ATOM 10 C SER 1 5.486 2.705 -0.000 1.00 0.00
ATOM 11 O SER 1 6.009 1.593 -0.000 1.00 0.00
ATOM 12 N ILE 2 6.191 3.839 -0.000 1.00 0.00
ATOM 13 H ILE 2 5.715 4.730 -0.000 1.00 0.00
ATOM 14 CA ILE 2 7.640 3.839 -0.000 1.00 0.00
ATOM 15 HA ILE 2 8.004 3.325 0.890 1.00 0.00
ATOM 16 CB ILE 2 8.148 3.120 -1.245 1.00 0.00
ATOM 17 HB ILE 2 7.785 2.092 -1.246 1.00 0.00
ATOM 18 CG2 ILE 2 7.640 3.839 -2.490 1.00 0.00
ATOM 19 HG21 ILE 2 8.003 4.866 -2.491 1.00 0.00
ATOM 20 HG22 ILE 2 8.003 3.325 -3.381 1.00 0.00
ATOM 21 HG23 ILE 2 6.550 3.839 -2.491 1.00 0.00
ATOM 22 CG1 ILE 2 9.673 3.120 -1.245 1.00 0.00
ATOM 23 HG12 ILE 2 10.037 4.147 -1.245 1.00 0.00
ATOM 24 HG13 ILE 2 10.037 2.606 -0.355 1.00 0.00
ATOM 25 CD1 ILE 2 10.182 2.401 -2.490 1.00 0.00
ATOM 26 HD11 ILE 2 9.819 2.914 -3.381 1.00 0.00
ATOM 27 HD12 ILE 2 11.272 2.401 -2.491 1.00 0.00
ATOM 28 HD13 ILE 2 9.819 1.373 -2.491 1.00 0.00
ATOM 29 C ILE 2 8.188 5.259 -0.000 1.00 0.00
ATOM 30 O ILE 2 7.425 6.222 0.000 1.00 0.00
ATOM 31 N ASN 3 9.517 5.386 -0.000 1.00 0.00
ATOM 32 H ASN 3 10.103 4.564 -0.000 1.00 0.00
ATOM 33 CA ASN 3 10.161 6.684 0.000 1.00 0.00
ATOM 34 HA ASN 3 9.863 7.239 -0.890 1.00 0.00
ATOM 35 CB ASN 3 9.768 7.492 1.232 1.00 0.00
ATOM 36 HB2 ASN 3 8.688 7.640 1.241 1.00 0.00
ATOM 37 HB3 ASN 3 10.068 6.954 2.131 1.00 0.00
ATOM 38 CG ASN 3 10.445 8.856 1.232 1.00 0.00
ATOM 39 OD1 ASN 3 11.196 9.179 0.315 1.00 0.00
ATOM 40 ND2 ASN 3 10.176 9.656 2.266 1.00 0.00
ATOM 41 HD21 ASN 3 10.599 10.572 2.315 1.00 0.00
ATOM 42 HD22 ASN 3 9.551 9.343 2.994 1.00 0.00
ATOM 43 C ASN 3 11.677 6.544 -0.000 1.00 0.00
ATOM 44 O ASN 3 12.200 5.432 -0.000 1.00 0.00
ATOM 45 N GLY 4 12.382 7.677 -0.000 1.00 0.00
ATOM 46 H GLY 4 11.906 8.568 0.000 1.00 0.00
ATOM 47 CA GLY 4 13.831 7.677 -0.000 1.00 0.00
ATOM 48 HA2 GLY 4 14.195 7.163 0.890 1.00 0.00
ATOM 49 HA3 GLY 4 14.195 7.163 -0.890 1.00 0.00
ATOM 50 C GLY 4 14.362 9.104 -0.000 1.00 0.00
ATOM 51 O GLY 4 13.586 10.057 0.000 1.00 0.00
ATOM 52 N LEU 5 15.689 9.248 -0.000 1.00 0.00
ATOM 53 H LEU 5 16.285 8.433 -0.000 1.00 0.00
ATOM 54 CA LEU 5 16.317 10.554 0.000 1.00 0.00
ATOM 55 HA LEU 5 16.012 11.104 -0.890 1.00 0.00
ATOM 56 CB LEU 5 15.914 11.357 1.232 1.00 0.00
ATOM 57 HB2 LEU 5 14.832 11.491 1.241 1.00 0.00
ATOM 58 HB3 LEU 5 16.221 10.822 2.131 1.00 0.00
ATOM 59 CG LEU 5 16.595 12.721 1.195 1.00 0.00
ATOM 60 HG LEU 5 17.677 12.588 1.186 1.00 0.00
ATOM 61 CD1 LEU 5 16.165 13.469 -0.063 1.00 0.00
ATOM 62 HD11 LEU 5 15.083 13.603 -0.055 1.00 0.00
ATOM 63 HD12 LEU 5 16.651 14.444 -0.090 1.00 0.00
ATOM 64 HD13 LEU 5 16.453 12.895 -0.944 1.00 0.00
ATOM 65 CD2 LEU 5 16.192 13.524 2.427 1.00 0.00
ATOM 66 HD21 LEU 5 16.499 12.990 3.326 1.00 0.00
ATOM 67 HD22 LEU 5 16.678 14.499 2.400 1.00 0.00
ATOM 68 HD23 LEU 5 15.110 13.658 2.436 1.00 0.00
ATOM 69 C LEU 5 17.834 10.431 -0.000 1.00 0.00
ATOM 70 O LEU 5 18.371 9.326 -0.000 1.00 0.00
ATOM 71 N GLU 6 18.526 11.573 -0.000 1.00 0.00
ATOM 72 H GLU 6 18.039 12.458 0.000 1.00 0.00
ATOM 73 CA GLU 6 19.975 11.591 -0.000 1.00 0.00
ATOM 74 HA GLU 6 20.345 11.082 0.890 1.00 0.00
ATOM 75 CB GLU 6 20.532 10.886 -1.232 1.00 0.00
ATOM 76 HB2 GLU 6 20.197 9.850 -1.241 1.00 0.00
ATOM 77 HB3 GLU 6 20.178 11.391 -2.131 1.00 0.00
ATOM 78 CG GLU 6 22.041 10.926 -1.195 1.00 0.00
ATOM 79 HG2 GLU 6 22.378 11.963 -1.186 1.00 0.00
ATOM 80 HG3 GLU 6 22.397 10.422 -0.296 1.00 0.00
ATOM 81 CD GLU 6 22.600 10.221 -2.429 1.00 0.00
ATOM 82 OE1 GLU 6 22.798 10.925 -3.454 1.00 0.00
ATOM 83 OE2 GLU 6 22.822 8.984 -2.334 1.00 0.00
ATOM 84 C GLU 6 20.505 13.018 0.000 1.00 0.00
ATOM 85 O GLU 6 19.730 13.971 0.000 1.00 0.00
ATOM 86 N PRO 7 21.832 13.162 -0.000 1.00 0.00
ATOM 87 CD PRO 7 22.732 12.014 -0.000 1.00 0.00
ATOM 88 HD2 PRO 7 22.828 11.627 -1.014 1.00 0.00
ATOM 89 HD3 PRO 7 22.330 11.237 0.649 1.00 0.00
ATOM 90 CG PRO 7 24.017 12.586 0.522 1.00 0.00
ATOM 91 HG2 PRO 7 24.851 12.136 -0.016 1.00 0.00
ATOM 92 HG3 PRO 7 24.114 12.373 1.586 1.00 0.00
ATOM 93 CB PRO 7 23.940 14.074 0.276 1.00 0.00
ATOM 94 HB2 PRO 7 24.558 14.328 -0.586 1.00 0.00
ATOM 95 HB3 PRO 7 24.309 14.603 1.155 1.00 0.00
ATOM 96 CA PRO 7 22.462 14.469 0.000 1.00 0.00
ATOM 97 HA PRO 7 22.188 15.043 0.886 1.00 0.00
ATOM 98 C PRO 7 22.088 15.256 -1.248 1.00 0.00
ATOM 99 O PRO 7 21.294 14.791 -2.064 1.00 0.00
ATOM 100 N ALA 8 22.663 16.451 -1.396 1.00 0.00
ATOM 101 H ALA 8 23.310 16.790 -0.698 1.00 0.00
ATOM 102 CA ALA 8 22.390 17.296 -2.541 1.00 0.00
ATOM 103 HA ALA 8 22.674 16.774 -3.455 1.00 0.00
ATOM 104 CB ALA 8 20.909 17.649 -2.622 1.00 0.00
ATOM 105 HB1 ALA 8 20.611 18.180 -1.718 1.00 0.00
ATOM 106 HB2 ALA 8 20.733 18.283 -3.491 1.00 0.00
ATOM 107 HB3 ALA 8 20.322 16.735 -2.716 1.00 0.00
ATOM 108 C ALA 8 23.174 18.598 -2.461 1.00 0.00
ATOM 109 O ALA 8 23.920 18.819 -1.510 1.00 0.00
ATOM 110 N ARG 9 23.004 19.461 -3.465 1.00 0.00
ATOM 111 H ARG 9 22.379 19.234 -4.226 1.00 0.00
ATOM 112 CA ARG 9 23.693 20.735 -3.505 1.00 0.00
ATOM 113 HA ARG 9 23.422 21.323 -2.629 1.00 0.00
ATOM 114 CB ARG 9 25.206 20.540 -3.512 1.00 0.00
ATOM 115 HB2 ARG 9 25.509 20.009 -2.610 1.00 0.00
ATOM 116 HB3 ARG 9 25.494 19.960 -4.389 1.00 0.00
ATOM 117 CG ARG 9 25.893 21.901 -3.555 1.00 0.00
ATOM 118 HG2 ARG 9 25.592 22.433 -4.457 1.00 0.00
ATOM 119 HG3 ARG 9 25.606 22.481 -2.678 1.00 0.00
ATOM 120 CD ARG 9 27.406 21.706 -3.562 1.00 0.00
ATOM 121 HD2 ARG 9 27.709 21.174 -2.660 1.00 0.00
ATOM 122 HD3 ARG 9 27.694 21.126 -4.439 1.00 0.00
ATOM 123 NE ARG 9 28.108 23.008 -3.603 1.00 0.00
ATOM 124 HE ARG 9 27.555 23.854 -3.621 1.00 0.00
ATOM 125 CZ ARG 9 29.434 23.116 -3.617 1.00 0.00
ATOM 126 NH1 ARG 9 30.228 22.050 -3.595 1.00 0.00
ATOM 127 HH11 ARG 9 29.825 21.124 -3.566 1.00 0.00
ATOM 128 HH12 ARG 9 31.231 22.170 -3.606 1.00 0.00
ATOM 129 NH2 ARG 9 29.960 24.337 -3.654 1.00 0.00
ATOM 130 HH21 ARG 9 29.354 25.145 -3.671 1.00 0.00
ATOM 131 HH22 ARG 9 30.964 24.451 -3.666 1.00 0.00
ATOM 132 C ARG 9 23.320 21.521 -4.754 1.00 0.00
ATOM 133 O ARG 9 22.526 21.057 -5.569 1.00 0.00
ATOM 134 N THR 10 23.895 22.717 -4.901 1.00 0.00
ATOM 135 H THR 10 24.542 23.056 -4.204 1.00 0.00
ATOM 136 CA THR 10 23.622 23.562 -6.046 1.00 0.00
ATOM 137 HA THR 10 23.906 23.040 -6.960 1.00 0.00
ATOM 138 CB THR 10 22.140 23.914 -6.128 1.00 0.00
ATOM 139 HB THR 10 21.964 24.549 -6.996 1.00 0.00
ATOM 140 CG2 THR 10 21.320 22.636 -6.258 1.00 0.00
ATOM 141 HG21 THR 10 21.495 22.001 -5.390 1.00 0.00
ATOM 142 HG22 THR 10 20.261 22.887 -6.316 1.00 0.00
ATOM 143 HG23 THR 10 21.617 22.104 -7.162 1.00 0.00
ATOM 144 OG1 THR 10 21.751 24.612 -4.941 1.00 0.00
ATOM 145 HG1 THR 10 20.818 24.834 -4.992 1.00 0.00
ATOM 146 C THR 10 24.406 24.864 -5.966 1.00 0.00
ATOM 147 O THR 10 25.152 25.085 -5.015 1.00 0.00
ATOM 148 N ILE 11 24.235 25.727 -6.970 1.00 0.00
ATOM 149 H ILE 11 23.611 25.500 -7.731 1.00 0.00
ATOM 150 CA ILE 11 24.925 27.001 -7.010 1.00 0.00
ATOM 151 HA ILE 11 24.654 27.589 -6.134 1.00 0.00
ATOM 152 CB ILE 11 26.432 26.763 -7.016 1.00 0.00
ATOM 153 HB ILE 11 26.718 26.223 -6.114 1.00 0.00
ATOM 154 CG2 ILE 11 26.811 25.940 -8.243 1.00 0.00
ATOM 155 HG21 ILE 11 26.525 26.480 -9.146 1.00 0.00
ATOM 156 HG22 ILE 11 27.888 25.770 -8.248 1.00 0.00
ATOM 157 HG23 ILE 11 26.293 24.982 -8.213 1.00 0.00
ATOM 158 CG1 ILE 11 27.157 28.104 -7.058 1.00 0.00
ATOM 159 HG12 ILE 11 26.872 28.644 -7.961 1.00 0.00
ATOM 160 HG13 ILE 11 26.886 28.692 -6.182 1.00 0.00
ATOM 161 CD1 ILE 11 28.664 27.866 -7.064 1.00 0.00
ATOM 162 HD11 ILE 11 28.936 27.278 -7.941 1.00 0.00
ATOM 163 HD12 ILE 11 29.183 28.824 -7.095 1.00 0.00
ATOM 164 HD13 ILE 11 28.951 27.326 -6.162 1.00 0.00
ATOM 165 C ILE 11 24.552 27.787 -8.259 1.00 0.00
ATOM 166 O ILE 11 23.758 27.323 -9.074 1.00 0.00
ATOM 167 N CYS 12 25.127 28.983 -8.407 1.00 0.00
ATOM 168 H CYS 12 25.774 29.322 -7.709 1.00 0.00
ATOM 169 CA CYS 12 24.854 29.828 -9.552 1.00 0.00
ATOM 170 HA CYS 12 25.138 29.305 -10.465 1.00 0.00
ATOM 171 CB CYS 12 23.372 30.180 -9.633 1.00 0.00
ATOM 172 HB2 CYS 12 22.785 29.266 -9.726 1.00 0.00
ATOM 173 HB3 CYS 12 23.075 30.712 -8.729 1.00 0.00
ATOM 174 SG CYS 12 22.882 31.235 -11.019 1.00 0.00
ATOM 175 HG CYS 12 21.590 31.280 -10.710 1.00 0.00
ATOM 176 C CYS 12 25.638 31.130 -9.471 1.00 0.00
ATOM 177 O CYS 12 26.384 31.351 -8.520 1.00 0.00
ATOM 178 N LEU 13 25.467 31.993 -10.475 1.00 0.00
ATOM 179 H LEU 13 24.843 31.766 -11.236 1.00 0.00
ATOM 180 CA LEU 13 26.157 33.267 -10.515 1.00 0.00
ATOM 181 HA LEU 13 25.886 33.855 -9.639 1.00 0.00
ATOM 182 CB LEU 13 27.669 33.072 -10.523 1.00 0.00
ATOM 183 HB2 LEU 13 27.972 32.540 -9.621 1.00 0.00
ATOM 184 HB3 LEU 13 27.957 32.492 -11.400 1.00 0.00
ATOM 185 CG LEU 13 28.357 34.432 -10.565 1.00 0.00
ATOM 186 HG LEU 13 28.055 34.965 -11.467 1.00 0.00
ATOM 187 CD1 LEU 13 27.955 35.244 -9.338 1.00 0.00
ATOM 188 HD11 LEU 13 28.257 34.712 -8.435 1.00 0.00
ATOM 189 HD12 LEU 13 28.446 36.216 -9.368 1.00 0.00
ATOM 190 HD13 LEU 13 26.874 35.383 -9.332 1.00 0.00
ATOM 191 CD2 LEU 13 29.869 34.238 -10.572 1.00 0.00
ATOM 192 HD21 LEU 13 30.157 33.658 -11.449 1.00 0.00
ATOM 193 HD22 LEU 13 30.361 35.210 -10.603 1.00 0.00
ATOM 194 HD23 LEU 13 30.172 33.706 -9.670 1.00 0.00
ATOM 195 C LEU 13 25.783 34.053 -11.764 1.00 0.00
ATOM 196 O LEU 13 24.990 33.589 -12.579 1.00 0.00
ATOM 197 N GLU 14 26.359 35.249 -11.912 1.00 0.00
ATOM 198 H GLU 14 27.005 35.588 -11.214 1.00 0.00
ATOM 199 CA GLU 14 26.085 36.093 -13.057 1.00 0.00
ATOM 200 HA GLU 14 26.370 35.571 -13.970 1.00 0.00
ATOM 201 CB GLU 14 24.604 36.446 -13.138 1.00 0.00
ATOM 202 HB2 GLU 14 24.017 35.532 -13.231 1.00 0.00
ATOM 203 HB3 GLU 14 24.306 36.977 -12.234 1.00 0.00
ATOM 204 CG GLU 14 24.361 37.325 -14.341 1.00 0.00
ATOM 205 HG2 GLU 14 24.947 38.239 -14.248 1.00 0.00
ATOM 206 HG3 GLU 14 24.658 36.794 -15.246 1.00 0.00
ATOM 207 CD GLU 14 22.877 37.678 -14.422 1.00 0.00
ATOM 208 OE1 GLU 14 22.500 38.721 -13.825 1.00 0.00
ATOM 209 OE2 GLU 14 22.136 36.901 -15.081 1.00 0.00
ATOM 210 C GLU 14 26.870 37.395 -12.977 1.00 0.00
ATOM 211 O GLU 14 27.616 37.617 -12.025 1.00 0.00
TER
END