REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\risultati_grimd_abalone\pdb_final\FLIGMTHGLICLISRKC.pdb REMARK YASARA Written on: Mon May 19 15:48:12 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 279 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 17 PHE LEU ILE GLY MET THR HIS GLY LEU ILE CYS LEU ILE SEQRES 2 17 SER ARG LYS CYS ATOM 1 N PHE 1 -12.901 -13.528 20.372 1.00 -0.42 N ATOM 2 1H PHE 1 -12.829 -12.522 20.273 1.00 -0.42 H ATOM 3 2H PHE 1 -11.971 -13.916 20.431 1.00 -0.42 H ATOM 4 3H PHE 1 -13.384 -13.910 19.572 1.00 0.27 H ATOM 5 CA PHE 1 -13.658 -13.838 21.619 1.00 -0.00 C ATOM 6 HA PHE 1 -13.139 -13.319 22.422 1.00 0.10 H ATOM 7 C PHE 1 -13.620 -15.324 21.986 1.00 0.60 C ATOM 8 O PHE 1 -13.246 -15.624 23.113 1.00 -0.57 O ATOM 9 CB PHE 1 -15.080 -13.260 21.577 1.00 -0.03 C ATOM 10 1HB PHE 1 -15.531 -13.370 22.563 1.00 0.03 H ATOM 11 2HB PHE 1 -15.009 -12.197 21.352 1.00 0.03 H ATOM 12 CG PHE 1 -15.990 -13.895 20.558 1.00 0.01 C ATOM 13 CD1 PHE 1 -15.915 -13.536 19.198 1.00 -0.13 C ATOM 14 HD1 PHE 1 -15.209 -12.785 18.869 1.00 0.13 H ATOM 15 CD2 PHE 1 -16.965 -14.824 20.966 1.00 -0.13 C ATOM 16 HD2 PHE 1 -17.055 -15.092 22.009 1.00 0.13 H ATOM 17 CE1 PHE 1 -16.777 -14.130 18.244 1.00 -0.17 C ATOM 18 HE1 PHE 1 -16.706 -13.855 17.200 1.00 0.14 H ATOM 19 CE2 PHE 1 -17.850 -15.404 20.027 1.00 -0.17 C ATOM 20 HE2 PHE 1 -18.608 -16.102 20.355 1.00 0.14 H ATOM 21 CZ PHE 1 -17.747 -15.067 18.661 1.00 -0.11 C ATOM 22 HZ PHE 1 -18.416 -15.516 17.939 1.00 0.13 H ATOM 23 N LEU 2 -13.968 -16.266 21.109 1.00 -0.42 N ATOM 24 H LEU 2 -14.145 -16.034 20.142 1.00 0.27 H ATOM 25 CA LEU 2 -14.321 -17.637 21.530 1.00 -0.05 C ATOM 26 HA LEU 2 -15.285 -17.574 22.033 1.00 0.09 H ATOM 27 C LEU 2 -13.409 -18.381 22.510 1.00 0.60 C ATOM 28 O LEU 2 -13.860 -18.807 23.568 1.00 -0.57 O ATOM 29 CB LEU 2 -14.487 -18.531 20.294 1.00 -0.11 C ATOM 30 1HB LEU 2 -13.608 -18.393 19.665 1.00 0.05 H ATOM 31 2HB LEU 2 -14.482 -19.568 20.634 1.00 0.05 H ATOM 32 CG LEU 2 -15.734 -18.349 19.418 1.00 0.35 C ATOM 33 HG LEU 2 -15.827 -17.295 19.163 1.00 -0.04 H ATOM 34 CD1 LEU 2 -15.577 -19.138 18.123 1.00 -0.41 C ATOM 35 1HD1 LEU 2 -14.697 -18.797 17.577 1.00 0.10 H ATOM 36 2HD1 LEU 2 -15.478 -20.205 18.337 1.00 0.10 H ATOM 37 3HD1 LEU 2 -16.454 -18.986 17.491 1.00 0.10 H ATOM 38 CD2 LEU 2 -17.004 -18.803 20.138 1.00 -0.41 C ATOM 39 1HD2 LEU 2 -17.165 -18.211 21.038 1.00 0.10 H ATOM 40 2HD2 LEU 2 -17.867 -18.669 19.482 1.00 0.10 H ATOM 41 3HD2 LEU 2 -16.931 -19.859 20.411 1.00 0.10 H ATOM 42 N ILE 3 -12.126 -18.503 22.204 1.00 -0.42 N ATOM 43 H ILE 3 -11.775 -18.127 21.340 1.00 0.27 H ATOM 44 CA ILE 3 -11.198 -19.242 23.069 1.00 -0.06 C ATOM 45 HA ILE 3 -11.656 -20.211 23.271 1.00 0.09 H ATOM 46 C ILE 3 -10.960 -18.587 24.434 1.00 0.60 C ATOM 47 O ILE 3 -10.423 -19.204 25.354 1.00 -0.57 O ATOM 48 CB ILE 3 -9.829 -19.528 22.366 1.00 0.13 C ATOM 49 HB ILE 3 -9.277 -20.196 23.029 1.00 0.02 H ATOM 50 CG1 ILE 3 -8.942 -18.271 22.178 1.00 -0.04 C ATOM 51 1HG1 ILE 3 -8.820 -17.781 23.143 1.00 0.02 H ATOM 52 2HG1 ILE 3 -7.953 -18.626 21.883 1.00 0.02 H ATOM 53 CG2 ILE 3 -10.055 -20.294 21.038 1.00 -0.32 C ATOM 54 1HG2 ILE 3 -10.611 -19.700 20.317 1.00 0.09 H ATOM 55 2HG2 ILE 3 -9.090 -20.563 20.603 1.00 0.09 H ATOM 56 3HG2 ILE 3 -10.604 -21.218 21.235 1.00 0.09 H ATOM 57 CD1 ILE 3 -9.358 -17.200 21.138 1.00 -0.07 C ATOM 58 1HD1 ILE 3 -8.584 -16.433 21.095 1.00 0.02 H ATOM 59 2HD1 ILE 3 -9.452 -17.647 20.148 1.00 0.02 H ATOM 60 3HD1 ILE 3 -10.295 -16.733 21.428 1.00 0.02 H ATOM 61 N GLY 4 -11.385 -17.342 24.587 1.00 -0.42 N ATOM 62 H GLY 4 -11.859 -16.870 23.823 1.00 0.27 H ATOM 63 CA GLY 4 -11.221 -16.634 25.841 1.00 -0.03 C ATOM 64 1HA GLY 4 -10.438 -17.107 26.432 1.00 0.07 H ATOM 65 2HA GLY 4 -10.906 -15.615 25.625 1.00 0.07 H ATOM 66 C GLY 4 -12.476 -16.554 26.678 1.00 0.60 C ATOM 67 O GLY 4 -12.397 -16.033 27.787 1.00 -0.57 O ATOM 68 N MET 5 -13.612 -17.024 26.171 1.00 -0.42 N ATOM 69 H MET 5 -13.615 -17.463 25.254 1.00 0.27 H ATOM 70 CA MET 5 -14.892 -16.881 26.880 1.00 -0.02 C ATOM 71 HA MET 5 -15.110 -15.823 27.019 1.00 0.09 H ATOM 72 C MET 5 -14.838 -17.542 28.251 1.00 0.60 C ATOM 73 O MET 5 -15.211 -16.969 29.262 1.00 -0.57 O ATOM 74 CB MET 5 -16.035 -17.533 26.090 1.00 0.03 C ATOM 75 1HB MET 5 -15.772 -18.575 25.906 1.00 0.02 H ATOM 76 2HB MET 5 -16.931 -17.520 26.710 1.00 0.02 H ATOM 77 CG MET 5 -16.364 -16.886 24.748 1.00 0.00 C ATOM 78 1HG MET 5 -15.462 -16.872 24.142 1.00 0.04 H ATOM 79 2HG MET 5 -17.104 -17.506 24.241 1.00 0.04 H ATOM 80 SD MET 5 -17.007 -15.205 24.842 1.00 -0.27 S ATOM 81 CE MET 5 -18.653 -15.426 25.545 1.00 -0.05 C ATOM 82 1HE MET 5 -19.157 -14.460 25.599 1.00 0.07 H ATOM 83 2HE MET 5 -19.237 -16.099 24.917 1.00 0.07 H ATOM 84 3HE MET 5 -18.576 -15.842 26.551 1.00 0.07 H ATOM 85 N THR 6 -14.292 -18.746 28.278 1.00 -0.42 N ATOM 86 H THR 6 -13.940 -19.161 27.428 1.00 0.27 H ATOM 87 CA THR 6 -14.208 -19.556 29.490 1.00 -0.04 C ATOM 88 HA THR 6 -15.085 -19.396 30.118 1.00 0.10 H ATOM 89 C THR 6 -12.969 -19.236 30.317 1.00 0.60 C ATOM 90 O THR 6 -12.670 -19.914 31.294 1.00 -0.57 O ATOM 91 CB THR 6 -14.143 -21.033 29.070 1.00 0.37 C ATOM 92 HB THR 6 -13.930 -21.665 29.933 1.00 0.00 H ATOM 93 OG1 THR 6 -13.131 -21.179 28.069 1.00 -0.68 O ATOM 94 HG1 THR 6 -13.212 -22.067 27.709 1.00 0.41 H ATOM 95 CG2 THR 6 -15.446 -21.485 28.424 1.00 -0.24 C ATOM 96 1HG2 THR 6 -15.401 -22.556 28.227 1.00 0.06 H ATOM 97 2HG2 THR 6 -16.281 -21.294 29.102 1.00 0.06 H ATOM 98 3HG2 THR 6 -15.617 -20.957 27.486 1.00 0.06 H ATOM 99 N HIS 7 -12.222 -18.220 29.902 1.00 -0.35 N ATOM 100 H HIS 7 -12.533 -17.678 29.105 1.00 0.28 H ATOM 101 CA HIS 7 -10.951 -17.875 30.542 1.00 -0.14 C ATOM 102 HA HIS 7 -10.848 -18.457 31.458 1.00 0.12 H ATOM 103 C HIS 7 -10.815 -16.411 30.948 1.00 0.73 C ATOM 104 O HIS 7 -9.744 -15.996 31.361 1.00 -0.59 O ATOM 105 CB HIS 7 -9.805 -18.273 29.604 1.00 -0.04 C ATOM 106 1HB HIS 7 -9.865 -17.681 28.692 1.00 0.08 H ATOM 107 2HB HIS 7 -8.857 -18.050 30.098 1.00 0.08 H ATOM 108 CG HIS 7 -9.811 -19.730 29.252 1.00 -0.00 C ATOM 109 ND1 HIS 7 -9.872 -20.220 27.951 1.00 -0.15 N ATOM 110 HD1 HIS 7 -9.930 -19.660 27.094 1.00 0.14 H ATOM 111 CD2 HIS 7 -9.786 -20.837 30.037 1.00 -0.11 C ATOM 112 HD2 HIS 7 -9.761 -20.837 31.122 1.00 0.23 H ATOM 113 CE1 HIS 7 -9.867 -21.544 27.984 1.00 -0.02 C ATOM 114 HE1 HIS 7 -9.907 -22.192 27.114 1.00 0.27 H ATOM 115 NE2 HIS 7 -9.819 -21.940 29.234 1.00 -0.17 N ATOM 116 HE2 HIS 7 -9.817 -22.902 29.556 1.00 0.14 H ATOM 117 N GLY 8 -11.855 -15.607 30.761 1.00 -0.42 N ATOM 118 H GLY 8 -12.716 -15.975 30.381 1.00 0.27 H ATOM 119 CA GLY 8 -11.796 -14.190 31.111 1.00 -0.03 C ATOM 120 1HA GLY 8 -12.813 -13.801 31.147 1.00 0.07 H ATOM 121 2HA GLY 8 -11.364 -14.096 32.108 1.00 0.07 H ATOM 122 C GLY 8 -10.979 -13.313 30.174 1.00 0.60 C ATOM 123 O GLY 8 -11.002 -12.088 30.252 1.00 -0.57 O ATOM 124 N LEU 9 -10.277 -13.935 29.236 1.00 -0.42 N ATOM 125 H LEU 9 -10.315 -14.939 29.207 1.00 0.27 H ATOM 126 CA LEU 9 -9.404 -13.241 28.289 1.00 -0.05 C ATOM 127 HA LEU 9 -8.691 -12.637 28.852 1.00 0.09 H ATOM 128 C LEU 9 -10.194 -12.307 27.377 1.00 0.60 C ATOM 129 O LEU 9 -9.656 -11.362 26.813 1.00 -0.57 O ATOM 130 CB LEU 9 -8.630 -14.284 27.475 1.00 -0.11 C ATOM 131 1HB LEU 9 -8.157 -14.963 28.185 1.00 0.05 H ATOM 132 2HB LEU 9 -9.357 -14.856 26.912 1.00 0.05 H ATOM 133 CG LEU 9 -7.547 -13.827 26.484 1.00 0.35 C ATOM 134 HG LEU 9 -8.006 -13.181 25.741 1.00 -0.04 H ATOM 135 CD1 LEU 9 -6.415 -13.053 27.150 1.00 -0.41 C ATOM 136 1HD1 LEU 9 -5.953 -13.654 27.936 1.00 0.10 H ATOM 137 2HD1 LEU 9 -5.659 -12.793 26.408 1.00 0.10 H ATOM 138 3HD1 LEU 9 -6.800 -12.128 27.581 1.00 0.10 H ATOM 139 CD2 LEU 9 -6.983 -15.048 25.760 1.00 -0.41 C ATOM 140 1HD2 LEU 9 -6.255 -14.725 25.014 1.00 0.10 H ATOM 141 2HD2 LEU 9 -6.487 -15.714 26.469 1.00 0.10 H ATOM 142 3HD2 LEU 9 -7.782 -15.588 25.253 1.00 0.10 H ATOM 143 N ILE 10 -11.500 -12.511 27.312 1.00 -0.42 N ATOM 144 H ILE 10 -11.892 -13.299 27.806 1.00 0.27 H ATOM 145 CA ILE 10 -12.415 -11.605 26.619 1.00 -0.06 C ATOM 146 HA ILE 10 -12.086 -11.525 25.586 1.00 0.09 H ATOM 147 C ILE 10 -12.467 -10.169 27.145 1.00 0.60 C ATOM 148 O ILE 10 -12.895 -9.281 26.413 1.00 -0.57 O ATOM 149 CB ILE 10 -13.843 -12.186 26.603 1.00 0.13 C ATOM 150 HB ILE 10 -14.518 -11.416 26.237 1.00 0.02 H ATOM 151 CG1 ILE 10 -14.297 -12.589 28.022 1.00 -0.04 C ATOM 152 1HG1 ILE 10 -13.734 -13.466 28.343 1.00 0.02 H ATOM 153 2HG1 ILE 10 -14.071 -11.772 28.706 1.00 0.02 H ATOM 154 CG2 ILE 10 -13.880 -13.352 25.614 1.00 -0.32 C ATOM 155 1HG2 ILE 10 -13.530 -13.022 24.639 1.00 0.09 H ATOM 156 2HG2 ILE 10 -13.259 -14.168 25.962 1.00 0.09 H ATOM 157 3HG2 ILE 10 -14.903 -13.701 25.506 1.00 0.09 H ATOM 158 CD1 ILE 10 -15.789 -12.912 28.157 1.00 -0.07 C ATOM 159 1HD1 ILE 10 -16.385 -12.057 27.834 1.00 0.02 H ATOM 160 2HD1 ILE 10 -16.048 -13.783 27.555 1.00 0.02 H ATOM 161 3HD1 ILE 10 -16.017 -13.129 29.201 1.00 0.02 H ATOM 162 N CYS 11 -11.938 -9.899 28.333 1.00 -0.42 N ATOM 163 H CYS 11 -11.629 -10.656 28.943 1.00 0.27 H ATOM 164 CA CYS 11 -11.758 -8.519 28.790 1.00 0.02 C ATOM 165 HA CYS 11 -12.702 -7.988 28.672 1.00 0.11 H ATOM 166 C CYS 11 -10.699 -7.779 27.960 1.00 0.60 C ATOM 167 O CYS 11 -10.599 -6.547 27.996 1.00 -0.57 O ATOM 168 CB CYS 11 -11.376 -8.521 30.270 1.00 -0.12 C ATOM 169 1HB CYS 11 -10.446 -9.078 30.397 1.00 0.11 H ATOM 170 2HB CYS 11 -11.213 -7.494 30.598 1.00 0.11 H ATOM 171 SG CYS 11 -12.653 -9.278 31.307 1.00 -0.31 S ATOM 172 HG CYS 11 -13.606 -8.365 31.097 1.00 0.19 H ATOM 173 N LEU 12 -9.944 -8.537 27.177 1.00 -0.42 N ATOM 174 H LEU 12 -9.947 -9.544 27.313 1.00 0.27 H ATOM 175 CA LEU 12 -9.243 -8.019 26.009 1.00 -0.05 C ATOM 176 HA LEU 12 -9.232 -6.935 26.044 1.00 0.09 H ATOM 177 C LEU 12 -9.996 -8.434 24.745 1.00 0.60 C ATOM 178 O LEU 12 -10.504 -7.576 24.041 1.00 -0.57 O ATOM 179 CB LEU 12 -7.800 -8.540 25.975 1.00 -0.11 C ATOM 180 1HB LEU 12 -7.301 -8.211 26.886 1.00 0.05 H ATOM 181 2HB LEU 12 -7.837 -9.628 26.003 1.00 0.05 H ATOM 182 CG LEU 12 -6.921 -8.149 24.774 1.00 0.35 C ATOM 183 HG LEU 12 -7.415 -8.479 23.863 1.00 -0.04 H ATOM 184 CD1 LEU 12 -6.680 -6.650 24.666 1.00 -0.41 C ATOM 185 1HD1 LEU 12 -6.222 -6.273 25.578 1.00 0.10 H ATOM 186 2HD1 LEU 12 -6.016 -6.452 23.821 1.00 0.10 H ATOM 187 3HD1 LEU 12 -7.621 -6.144 24.468 1.00 0.10 H ATOM 188 CD2 LEU 12 -5.585 -8.877 24.872 1.00 -0.41 C ATOM 189 1HD2 LEU 12 -5.044 -8.569 25.767 1.00 0.10 H ATOM 190 2HD2 LEU 12 -5.750 -9.955 24.901 1.00 0.10 H ATOM 191 3HD2 LEU 12 -4.982 -8.650 23.990 1.00 0.10 H ATOM 192 N ILE 13 -10.090 -9.729 24.467 1.00 -0.42 N ATOM 193 H ILE 13 -9.810 -10.407 25.170 1.00 0.27 H ATOM 194 CA ILE 13 -10.416 -10.221 23.119 1.00 -0.06 C ATOM 195 HA ILE 13 -9.980 -9.498 22.433 1.00 0.09 H ATOM 196 C ILE 13 -11.898 -10.293 22.714 1.00 0.60 C ATOM 197 O ILE 13 -12.290 -11.069 21.833 1.00 -0.57 O ATOM 198 CB ILE 13 -9.693 -11.568 22.806 1.00 0.13 C ATOM 199 HB ILE 13 -9.844 -11.782 21.748 1.00 0.02 H ATOM 200 CG1 ILE 13 -10.267 -12.747 23.615 1.00 -0.04 C ATOM 201 1HG1 ILE 13 -9.946 -12.659 24.647 1.00 0.02 H ATOM 202 2HG1 ILE 13 -11.353 -12.699 23.599 1.00 0.02 H ATOM 203 CG2 ILE 13 -8.168 -11.426 23.041 1.00 -0.32 C ATOM 204 1HG2 ILE 13 -7.943 -11.329 24.104 1.00 0.09 H ATOM 205 2HG2 ILE 13 -7.644 -12.295 22.646 1.00 0.09 H ATOM 206 3HG2 ILE 13 -7.796 -10.545 22.513 1.00 0.09 H ATOM 207 CD1 ILE 13 -9.857 -14.117 23.092 1.00 -0.07 C ATOM 208 1HD1 ILE 13 -10.064 -14.184 22.025 1.00 0.02 H ATOM 209 2HD1 ILE 13 -8.792 -14.279 23.262 1.00 0.02 H ATOM 210 3HD1 ILE 13 -10.418 -14.885 23.613 1.00 0.02 H ATOM 211 N SER 14 -12.743 -9.519 23.376 1.00 -0.42 N ATOM 212 H SER 14 -12.412 -9.000 24.180 1.00 0.27 H ATOM 213 CA SER 14 -14.117 -9.311 22.914 1.00 -0.03 C ATOM 214 HA SER 14 -14.169 -9.535 21.848 1.00 0.08 H ATOM 215 C SER 14 -14.539 -7.862 23.121 1.00 0.60 C ATOM 216 O SER 14 -15.737 -7.545 23.133 1.00 -0.57 O ATOM 217 CB SER 14 -15.075 -10.230 23.670 1.00 0.21 C ATOM 218 1HB SER 14 -14.639 -11.225 23.718 1.00 0.04 H ATOM 219 2HB SER 14 -15.211 -9.852 24.684 1.00 0.04 H ATOM 220 OG SER 14 -16.329 -10.319 23.017 1.00 -0.65 O ATOM 221 HG SER 14 -16.644 -9.418 22.866 1.00 0.43 H ATOM 222 N ARG 15 -13.570 -7.006 23.420 1.00 -0.35 N ATOM 223 H ARG 15 -12.604 -7.306 23.278 1.00 0.28 H ATOM 224 CA ARG 15 -13.830 -5.652 23.934 1.00 -0.26 C ATOM 225 HA ARG 15 -14.847 -5.357 23.690 1.00 0.16 H ATOM 226 C ARG 15 -12.920 -4.565 23.379 1.00 0.73 C ATOM 227 O ARG 15 -13.146 -3.391 23.659 1.00 -0.59 O ATOM 228 CB ARG 15 -13.636 -5.640 25.466 1.00 -0.00 C ATOM 229 1HB ARG 15 -12.636 -6.024 25.670 1.00 0.03 H ATOM 230 2HB ARG 15 -13.663 -4.607 25.812 1.00 0.03 H ATOM 231 CG ARG 15 -14.629 -6.437 26.331 1.00 0.04 C ATOM 232 1HG ARG 15 -14.737 -7.446 25.936 1.00 0.03 H ATOM 233 2HG ARG 15 -14.209 -6.511 27.334 1.00 0.03 H ATOM 234 CD ARG 15 -16.012 -5.788 26.449 1.00 0.05 C ATOM 235 1HD ARG 15 -16.523 -6.214 27.314 1.00 0.07 H ATOM 236 2HD ARG 15 -15.892 -4.714 26.602 1.00 0.07 H ATOM 237 NE ARG 15 -16.824 -6.031 25.252 1.00 -0.53 N ATOM 238 HE ARG 15 -16.400 -6.625 24.540 1.00 0.35 H ATOM 239 CZ ARG 15 -18.027 -5.555 24.980 1.00 0.81 C ATOM 240 NH1 ARG 15 -18.549 -5.860 23.826 1.00 -0.86 N ATOM 241 1HH1 ARG 15 -18.021 -6.437 23.183 1.00 0.32 H ATOM 242 2HH1 ARG 15 -19.460 -5.524 23.571 1.00 0.32 H ATOM 243 NH2 ARG 15 -18.711 -4.791 25.794 1.00 -0.86 N ATOM 244 1HH2 ARG 15 -18.315 -4.541 26.685 1.00 0.32 H ATOM 245 2HH2 ARG 15 -19.620 -4.450 25.529 1.00 0.32 H ATOM 246 N LYS 16 -11.829 -4.958 22.740 1.00 -0.35 N ATOM 247 H LYS 16 -11.817 -5.870 22.273 1.00 0.28 H ATOM 248 CA LYS 16 -10.605 -4.143 22.716 1.00 -0.24 C ATOM 249 HA LYS 16 -10.836 -3.126 22.397 1.00 0.14 H ATOM 250 C LYS 16 -9.637 -4.780 21.731 1.00 0.73 C ATOM 251 O LYS 16 -8.919 -4.111 20.996 1.00 -0.59 O ATOM 252 CB LYS 16 -10.032 -4.132 24.139 1.00 -0.01 C ATOM 253 1HB LYS 16 -10.839 -3.838 24.808 1.00 0.04 H ATOM 254 2HB LYS 16 -9.742 -5.146 24.399 1.00 0.04 H ATOM 255 CG LYS 16 -8.863 -3.202 24.416 1.00 0.02 C ATOM 256 1HG LYS 16 -7.939 -3.659 24.063 1.00 0.01 H ATOM 257 2HG LYS 16 -9.022 -2.259 23.892 1.00 0.01 H ATOM 258 CD LYS 16 -8.777 -2.913 25.926 1.00 -0.05 C ATOM 259 1HD LYS 16 -7.995 -2.173 26.102 1.00 0.06 H ATOM 260 2HD LYS 16 -9.730 -2.487 26.243 1.00 0.06 H ATOM 261 CE LYS 16 -8.496 -4.162 26.774 1.00 -0.01 C ATOM 262 1HE LYS 16 -9.210 -4.941 26.507 1.00 0.11 H ATOM 263 2HE LYS 16 -7.492 -4.526 26.548 1.00 0.11 H ATOM 264 NZ LYS 16 -8.627 -3.918 28.247 1.00 -0.38 N ATOM 265 1HZ LYS 16 -9.559 -3.584 28.453 1.00 0.17 H ATOM 266 2HZ LYS 16 -8.483 -4.787 28.747 1.00 0.17 H ATOM 267 3HZ LYS 16 -7.948 -3.234 28.549 1.00 0.17 H ATOM 268 N CYS 17 -9.718 -6.098 21.700 1.00 -0.42 N ATOM 269 H CYS 17 -10.169 -6.586 22.467 1.00 0.27 H ATOM 270 CA CYS 17 -9.419 -6.930 20.545 1.00 0.02 C ATOM 271 HA CYS 17 -9.397 -6.338 19.631 1.00 0.11 H ATOM 272 C CYS 17 -10.631 -7.858 20.548 1.00 0.60 C ATOM 273 O CYS 17 -10.602 -8.952 19.956 1.00 -0.57 O ATOM 274 OXT CYS 17 -11.576 -7.483 21.290 1.00 -0.57 O ATOM 275 CB CYS 17 -8.109 -7.695 20.739 1.00 -0.12 C ATOM 276 1HB CYS 17 -8.184 -8.296 21.643 1.00 0.11 H ATOM 277 2HB CYS 17 -7.972 -8.367 19.890 1.00 0.11 H ATOM 278 SG CYS 17 -6.682 -6.589 20.873 1.00 -0.31 S ATOM 279 HG CYS 17 -7.371 -5.458 20.627 1.00 0.19 H TER 280 CYS 17 END