ATOM 1 N GLY A 1 2.590 2.291 0.355 1.00 0.00 N ATOM 2 CA GLY A 1 2.880 3.023 1.621 1.00 0.00 C ATOM 3 C GLY A 1 4.346 2.834 1.990 1.00 0.00 C ATOM 4 O GLY A 1 5.031 3.788 2.358 1.00 0.00 O ATOM 5 H1 GLY A 1 2.482 2.972 -0.424 1.00 0.00 H ATOM 6 H2 GLY A 1 1.709 1.745 0.464 1.00 0.00 H ATOM 7 H3 GLY A 1 3.374 1.644 0.141 1.00 0.00 H ATOM 8 HA2 GLY A 1 2.674 4.075 1.482 1.00 0.00 H ATOM 9 HA3 GLY A 1 2.257 2.634 2.413 1.00 0.00 H ATOM 10 N ARG A 2 4.824 1.599 1.890 1.00 0.00 N ATOM 11 CA ARG A 2 6.215 1.300 2.214 1.00 0.00 C ATOM 12 C ARG A 2 7.162 2.021 1.258 1.00 0.00 C ATOM 13 O ARG A 2 8.181 2.571 1.672 1.00 0.00 O ATOM 14 CB ARG A 2 6.456 -0.207 2.134 1.00 0.00 C ATOM 15 CG ARG A 2 5.759 -0.903 3.305 1.00 0.00 C ATOM 16 CD ARG A 2 5.965 -2.415 3.197 1.00 0.00 C ATOM 17 NE ARG A 2 5.333 -3.093 4.322 1.00 0.00 N ATOM 18 CZ ARG A 2 5.414 -4.411 4.463 1.00 0.00 C ATOM 19 NH1 ARG A 2 6.070 -5.124 3.587 1.00 0.00 N1+ ATOM 20 NH2 ARG A 2 4.843 -4.995 5.481 1.00 0.00 N ATOM 21 H ARG A 2 4.234 0.876 1.590 1.00 0.00 H ATOM 22 HA ARG A 2 6.416 1.631 3.222 1.00 0.00 H ATOM 23 HB2 ARG A 2 6.058 -0.585 1.203 1.00 0.00 H ATOM 24 HB3 ARG A 2 7.514 -0.406 2.178 1.00 0.00 H ATOM 25 HG2 ARG A 2 6.179 -0.548 4.235 1.00 0.00 H ATOM 26 HG3 ARG A 2 4.702 -0.683 3.279 1.00 0.00 H ATOM 27 HD2 ARG A 2 5.525 -2.770 2.275 1.00 0.00 H ATOM 28 HD3 ARG A 2 7.023 -2.631 3.192 1.00 0.00 H ATOM 29 HE ARG A 2 4.840 -2.566 4.986 1.00 0.00 H ATOM 30 HH11 ARG A 2 6.510 -4.676 2.809 1.00 0.00 H ATOM 31 HH12 ARG A 2 6.131 -6.115 3.694 1.00 0.00 H ATOM 32 HH21 ARG A 2 4.341 -4.450 6.154 1.00 0.00 H ATOM 33 HH22 ARG A 2 4.904 -5.987 5.589 1.00 0.00 H ATOM 34 N ILE A 3 6.811 2.024 -0.022 1.00 0.00 N ATOM 35 CA ILE A 3 7.634 2.686 -1.029 1.00 0.00 C ATOM 36 C ILE A 3 7.745 4.178 -0.731 1.00 0.00 C ATOM 37 O ILE A 3 8.698 4.834 -1.153 1.00 0.00 O ATOM 38 CB ILE A 3 7.023 2.482 -2.415 1.00 0.00 C ATOM 39 CG1 ILE A 3 6.883 0.982 -2.688 1.00 0.00 C ATOM 40 CG2 ILE A 3 7.933 3.112 -3.470 1.00 0.00 C ATOM 41 CD1 ILE A 3 8.271 0.342 -2.752 1.00 0.00 C ATOM 42 H ILE A 3 5.984 1.576 -0.295 1.00 0.00 H ATOM 43 HA ILE A 3 8.626 2.251 -1.020 1.00 0.00 H ATOM 44 HB ILE A 3 6.050 2.949 -2.452 1.00 0.00 H ATOM 45 HG12 ILE A 3 6.317 0.526 -1.890 1.00 0.00 H ATOM 46 HG13 ILE A 3 6.374 0.831 -3.628 1.00 0.00 H ATOM 47 HG21 ILE A 3 8.570 3.849 -3.003 1.00 0.00 H ATOM 48 HG22 ILE A 3 7.329 3.587 -4.230 1.00 0.00 H ATOM 49 HG23 ILE A 3 8.543 2.345 -3.923 1.00 0.00 H ATOM 50 HD11 ILE A 3 8.960 1.021 -3.232 1.00 0.00 H ATOM 51 HD12 ILE A 3 8.219 -0.576 -3.317 1.00 0.00 H ATOM 52 HD13 ILE A 3 8.616 0.129 -1.750 1.00 0.00 H ATOM 53 N ASP A 4 6.768 4.707 -0.002 1.00 0.00 N ATOM 54 CA ASP A 4 6.773 6.123 0.344 1.00 0.00 C ATOM 55 C ASP A 4 8.049 6.479 1.099 1.00 0.00 C ATOM 56 O ASP A 4 8.050 6.564 2.327 1.00 0.00 O ATOM 57 CB ASP A 4 5.558 6.451 1.214 1.00 0.00 C ATOM 58 CG ASP A 4 4.285 6.389 0.378 1.00 0.00 C ATOM 59 OD1 ASP A 4 4.398 6.365 -0.835 1.00 0.00 O ATOM 60 OD2 ASP A 4 3.215 6.363 0.964 1.00 0.00 O1- ATOM 61 H ASP A 4 6.034 4.137 0.308 1.00 0.00 H ATOM 62 HA ASP A 4 6.724 6.707 -0.561 1.00 0.00 H ATOM 63 HB2 ASP A 4 5.493 5.738 2.022 1.00 0.00 H ATOM 64 HB3 ASP A 4 5.667 7.445 1.623 1.00 0.00 H HETATM 65 N DBU A 5 9.131 6.688 0.357 1.00 0.00 N HETATM 66 CA DBU A 5 10.370 7.022 0.942 1.00 0.00 C HETATM 67 CB DBU A 5 10.619 7.820 2.065 1.00 0.00 C HETATM 68 CG DBU A 5 9.554 8.496 2.895 1.00 0.00 C HETATM 69 C DBU A 5 11.502 6.388 0.173 1.00 0.00 C HETATM 70 O DBU A 5 12.531 7.012 -0.094 1.00 0.00 O HETATM 71 H DBU A 5 9.082 6.609 -0.618 1.00 0.00 H HETATM 72 HB DBU A 5 11.641 7.974 2.379 1.00 0.00 H HETATM 73 HG1 DBU A 5 9.938 9.428 3.286 1.00 0.00 H HETATM 74 HG2 DBU A 5 8.691 8.695 2.277 1.00 0.00 H HETATM 75 HG3 DBU A 5 9.272 7.851 3.714 1.00 0.00 H ATOM 76 N CYS A 6 11.311 5.126 -0.190 1.00 0.00 N ATOM 77 CA CYS A 6 12.325 4.397 -0.938 1.00 0.00 C ATOM 78 C CYS A 6 11.715 3.746 -2.172 1.00 0.00 C ATOM 79 O CYS A 6 11.359 2.568 -2.156 1.00 0.00 O ATOM 80 CB CYS A 6 12.953 3.323 -0.053 1.00 0.00 C ATOM 81 SG CYS A 6 11.660 2.316 0.715 1.00 0.00 S ATOM 82 H CYS A 6 10.473 4.677 0.049 1.00 0.00 H ATOM 83 HA CYS A 6 13.097 5.085 -1.249 1.00 0.00 H ATOM 84 HB2 CYS A 6 13.586 2.689 -0.654 1.00 0.00 H ATOM 85 HB3 CYS A 6 13.543 3.794 0.711 1.00 0.00 H ATOM 86 N PRO A 7 11.592 4.494 -3.232 1.00 0.00 N ATOM 87 CA PRO A 7 11.011 3.993 -4.510 1.00 0.00 C ATOM 88 C PRO A 7 11.966 3.057 -5.244 1.00 0.00 C ATOM 89 O PRO A 7 12.077 3.103 -6.468 1.00 0.00 O ATOM 90 CB PRO A 7 10.765 5.268 -5.319 1.00 0.00 C ATOM 91 CG PRO A 7 11.738 6.270 -4.788 1.00 0.00 C ATOM 92 CD PRO A 7 11.996 5.905 -3.326 1.00 0.00 C ATOM 93 HA PRO A 7 10.072 3.498 -4.324 1.00 0.00 H ATOM 94 HB2 PRO A 7 10.949 5.085 -6.369 1.00 0.00 H ATOM 95 HB3 PRO A 7 9.757 5.619 -5.168 1.00 0.00 H ATOM 96 HG2 PRO A 7 12.658 6.224 -5.354 1.00 0.00 H ATOM 97 HG3 PRO A 7 11.316 7.260 -4.844 1.00 0.00 H ATOM 98 HD2 PRO A 7 13.045 6.017 -3.089 1.00 0.00 H ATOM 99 HD3 PRO A 7 11.388 6.509 -2.671 1.00 0.00 H ATOM 100 N ALA A 8 12.653 2.207 -4.485 1.00 0.00 N ATOM 101 CA ALA A 8 13.596 1.265 -5.080 1.00 0.00 C ATOM 102 C ALA A 8 13.051 -0.158 -5.000 1.00 0.00 C ATOM 103 O ALA A 8 13.319 -0.984 -5.872 1.00 0.00 O ATOM 104 CB ALA A 8 14.939 1.341 -4.353 1.00 0.00 C ATOM 105 H ALA A 8 12.521 2.212 -3.511 1.00 0.00 H ATOM 106 HA ALA A 8 13.743 1.524 -6.117 1.00 0.00 H ATOM 107 HB1 ALA A 8 15.666 0.735 -4.876 1.00 0.00 H ATOM 108 HB2 ALA A 8 14.824 0.974 -3.345 1.00 0.00 H ATOM 109 HB3 ALA A 8 15.276 2.367 -4.327 1.00 0.00 H ATOM 110 N GLY A 9 12.285 -0.433 -3.951 1.00 0.00 N ATOM 111 CA GLY A 9 11.707 -1.758 -3.768 1.00 0.00 C ATOM 112 C GLY A 9 10.607 -1.731 -2.712 1.00 0.00 C ATOM 113 O GLY A 9 10.559 -0.829 -1.875 1.00 0.00 O ATOM 114 H GLY A 9 12.106 0.267 -3.288 1.00 0.00 H ATOM 115 HA2 GLY A 9 11.294 -2.097 -4.706 1.00 0.00 H ATOM 116 HA3 GLY A 9 12.482 -2.440 -3.451 1.00 0.00 H ATOM 117 N GLY A 10 9.728 -2.725 -2.756 1.00 0.00 N ATOM 118 CA GLY A 10 8.634 -2.808 -1.795 1.00 0.00 C ATOM 119 C GLY A 10 9.168 -2.976 -0.378 1.00 0.00 C ATOM 120 O GLY A 10 8.543 -2.537 0.587 1.00 0.00 O ATOM 121 H GLY A 10 9.817 -3.417 -3.443 1.00 0.00 H ATOM 122 HA2 GLY A 10 8.046 -1.903 -1.849 1.00 0.00 H ATOM 123 HA3 GLY A 10 8.008 -3.652 -2.038 1.00 0.00 H ATOM 124 N GLY A 11 10.326 -3.619 -0.259 1.00 0.00 N ATOM 125 CA GLY A 11 10.933 -3.845 1.048 1.00 0.00 C ATOM 126 C GLY A 11 11.165 -2.528 1.779 1.00 0.00 C ATOM 127 O GLY A 11 10.881 -2.408 2.973 1.00 0.00 O ATOM 128 H GLY A 11 10.776 -3.950 -1.064 1.00 0.00 H ATOM 129 HA2 GLY A 11 10.280 -4.472 1.639 1.00 0.00 H ATOM 130 HA3 GLY A 11 11.881 -4.342 0.915 1.00 0.00 H HETATM 131 N DBB A 12 11.681 -1.544 1.056 1.00 0.00 N HETATM 132 CA DBB A 12 11.950 -0.237 1.640 1.00 0.00 C HETATM 133 C DBB A 12 12.947 -0.363 2.786 1.00 0.00 C HETATM 134 O DBB A 12 13.076 0.535 3.616 1.00 0.00 O HETATM 135 CB DBB A 12 12.494 0.716 0.564 1.00 0.00 C HETATM 136 CG DBB A 12 14.006 0.896 0.739 1.00 0.00 C HETATM 137 H DBB A 12 11.891 -1.700 0.118 1.00 0.00 H HETATM 138 HA DBB A 12 11.030 0.167 2.024 1.00 0.00 H HETATM 139 HB2 DBB A 12 12.297 0.301 -0.413 1.00 0.00 H HETATM 140 HG1 DBB A 12 14.461 1.086 -0.222 1.00 0.00 H HETATM 141 HG2 DBB A 12 14.428 0.002 1.170 1.00 0.00 H HETATM 142 HG3 DBB A 12 14.192 1.731 1.395 1.00 0.00 H HETATM 143 N DAL A 13 13.656 -1.479 2.811 1.00 0.00 N HETATM 144 CA DAL A 13 14.650 -1.717 3.842 1.00 0.00 C HETATM 145 CB DAL A 13 13.985 -1.748 5.215 1.00 0.00 C HETATM 146 C DAL A 13 15.725 -0.622 3.801 1.00 0.00 C HETATM 147 O DAL A 13 15.520 0.419 3.176 1.00 0.00 O HETATM 148 H DAL A 13 13.512 -2.155 2.116 1.00 0.00 H HETATM 149 HA DAL A 13 15.105 -2.676 3.659 1.00 0.00 H HETATM 150 HB1 DAL A 13 13.079 -1.166 5.202 1.00 0.00 H HETATM 151 HB2 DAL A 13 13.750 -2.771 5.470 1.00 0.00 H ATOM 152 N GLU A 14 16.864 -0.851 4.461 1.00 0.00 N ATOM 153 CA GLU A 14 17.935 0.136 4.468 1.00 0.00 C ATOM 154 C GLU A 14 18.072 0.790 3.096 1.00 0.00 C ATOM 155 O GLU A 14 18.621 1.885 2.972 1.00 0.00 O ATOM 156 CB GLU A 14 19.254 -0.538 4.847 1.00 0.00 C ATOM 157 CG GLU A 14 20.377 0.501 4.851 1.00 0.00 C ATOM 158 CD GLU A 14 21.692 -0.154 5.261 1.00 0.00 C ATOM 159 OE1 GLU A 14 21.643 -1.252 5.793 1.00 0.00 O ATOM 160 OE2 GLU A 14 22.726 0.451 5.037 1.00 0.00 O1- ATOM 161 H GLU A 14 16.988 -1.691 4.949 1.00 0.00 H ATOM 162 HA GLU A 14 17.710 0.896 5.199 1.00 0.00 H ATOM 163 HB2 GLU A 14 19.164 -0.975 5.831 1.00 0.00 H ATOM 164 HB3 GLU A 14 19.484 -1.310 4.129 1.00 0.00 H ATOM 165 HG2 GLU A 14 20.478 0.919 3.860 1.00 0.00 H ATOM 166 HG3 GLU A 14 20.136 1.286 5.550 1.00 0.00 H ATOM 167 N GLN A 15 17.564 0.114 2.069 1.00 0.00 N ATOM 168 CA GLN A 15 17.635 0.642 0.711 1.00 0.00 C ATOM 169 C GLN A 15 17.052 2.050 0.657 1.00 0.00 C ATOM 170 O GLN A 15 17.177 2.746 -0.352 1.00 0.00 O ATOM 171 CB GLN A 15 16.865 -0.274 -0.250 1.00 0.00 C ATOM 172 CG GLN A 15 17.558 -1.634 -0.319 1.00 0.00 C ATOM 173 CD GLN A 15 18.975 -1.470 -0.855 1.00 0.00 C ATOM 174 OE1 GLN A 15 19.182 -0.813 -1.876 1.00 0.00 O ATOM 175 NE2 GLN A 15 19.969 -2.037 -0.228 1.00 0.00 N ATOM 176 H GLN A 15 17.136 -0.753 2.227 1.00 0.00 H ATOM 177 HA GLN A 15 18.668 0.679 0.404 1.00 0.00 H ATOM 178 HB2 GLN A 15 15.853 -0.408 0.104 1.00 0.00 H ATOM 179 HB3 GLN A 15 16.847 0.167 -1.235 1.00 0.00 H ATOM 180 HG2 GLN A 15 17.597 -2.067 0.670 1.00 0.00 H ATOM 181 HG3 GLN A 15 17.001 -2.287 -0.974 1.00 0.00 H ATOM 182 HE21 GLN A 15 19.802 -2.562 0.583 1.00 0.00 H ATOM 183 HE22 GLN A 15 20.884 -1.937 -0.565 1.00 0.00 H HETATM 184 N DBB A 16 16.421 2.466 1.748 1.00 0.00 N HETATM 185 CA DBB A 16 15.824 3.794 1.816 1.00 0.00 C HETATM 186 C DBB A 16 14.550 3.760 2.654 1.00 0.00 C HETATM 187 O DBB A 16 14.165 2.708 3.165 1.00 0.00 O HETATM 188 CB DBB A 16 16.819 4.782 2.421 1.00 0.00 C HETATM 189 CG DBB A 16 16.686 6.138 1.725 1.00 0.00 C HETATM 190 H DBB A 16 16.353 1.870 2.521 1.00 0.00 H HETATM 191 HA DBB A 16 15.575 4.116 0.815 1.00 0.00 H HETATM 192 HB2 DBB A 16 17.825 4.407 2.294 1.00 0.00 H HETATM 193 HG1 DBB A 16 17.536 6.296 1.078 1.00 0.00 H HETATM 194 HG2 DBB A 16 16.650 6.921 2.468 1.00 0.00 H HETATM 195 HG3 DBB A 16 15.778 6.155 1.140 1.00 0.00 H ATOM 196 N GLY A 17 13.904 4.919 2.780 1.00 0.00 N ATOM 197 CA GLY A 17 12.664 5.021 3.545 1.00 0.00 C ATOM 198 C GLY A 17 12.423 3.763 4.365 1.00 0.00 C ATOM 199 O GLY A 17 13.290 3.331 5.124 1.00 0.00 O ATOM 200 H GLY A 17 14.263 5.718 2.343 1.00 0.00 H ATOM 201 HA2 GLY A 17 12.723 5.873 4.206 1.00 0.00 H ATOM 202 HA3 GLY A 17 11.842 5.156 2.859 1.00 0.00 H HETATM 203 N DBU A 18 11.243 3.172 4.197 1.00 0.00 N HETATM 204 CA DBU A 18 10.915 1.991 4.895 1.00 0.00 C HETATM 205 CB DBU A 18 10.041 0.967 4.509 1.00 0.00 C HETATM 206 CG DBU A 18 9.251 0.929 3.220 1.00 0.00 C HETATM 207 C DBU A 18 11.651 1.919 6.213 1.00 0.00 C HETATM 208 O DBU A 18 11.318 2.615 7.173 1.00 0.00 O HETATM 209 H DBU A 18 10.588 3.552 3.575 1.00 0.00 H HETATM 210 HB DBU A 18 9.905 0.126 5.172 1.00 0.00 H HETATM 211 HG1 DBU A 18 8.255 1.312 3.388 1.00 0.00 H HETATM 212 HG2 DBU A 18 9.750 1.538 2.482 1.00 0.00 H HETATM 213 HG3 DBU A 18 9.189 -0.089 2.861 1.00 0.00 H ATOM 214 N CYS A 19 12.666 1.063 6.257 1.00 0.00 N ATOM 215 CA CYS A 19 13.456 0.889 7.469 1.00 0.00 C ATOM 216 C CYS A 19 14.730 1.731 7.435 1.00 0.00 C ATOM 217 O CYS A 19 15.399 1.894 8.454 1.00 0.00 O ATOM 218 CB CYS A 19 13.820 -0.589 7.638 1.00 0.00 C ATOM 219 SG CYS A 19 15.105 -1.055 6.453 1.00 0.00 S ATOM 220 H CYS A 19 12.884 0.536 5.462 1.00 0.00 H ATOM 221 HA CYS A 19 12.860 1.195 8.317 1.00 0.00 H ATOM 222 HB2 CYS A 19 14.180 -0.754 8.633 1.00 0.00 H ATOM 223 HB3 CYS A 19 12.943 -1.196 7.467 1.00 0.00 H ATOM 224 N CYS A 20 15.068 2.260 6.262 1.00 0.00 N ATOM 225 CA CYS A 20 16.272 3.074 6.134 1.00 0.00 C ATOM 226 C CYS A 20 16.067 4.439 6.785 1.00 0.00 C ATOM 227 O CYS A 20 14.923 4.813 6.982 1.00 0.00 O ATOM 228 CB CYS A 20 16.633 3.249 4.656 1.00 0.00 C ATOM 229 SG CYS A 20 16.469 4.989 4.182 1.00 0.00 S ATOM 230 OXT CYS A 20 17.057 5.093 7.074 1.00 0.00 O ATOM 231 H CYS A 20 14.504 2.100 5.474 1.00 0.00 H ATOM 232 HA CYS A 20 17.087 2.571 6.633 1.00 0.00 H ATOM 233 HB2 CYS A 20 17.653 2.930 4.495 1.00 0.00 H ATOM 234 HB3 CYS A 20 15.971 2.648 4.053 1.00 0.00 H TER 235 CYS A 20