ATOM 1 N GLY A 1 16.191 3.624 8.518 1.00 0.00 N ATOM 2 CA GLY A 1 15.128 3.946 7.524 1.00 0.00 C ATOM 3 C GLY A 1 15.390 3.180 6.232 1.00 0.00 C ATOM 4 O GLY A 1 14.608 3.257 5.284 1.00 0.00 O ATOM 5 H1 GLY A 1 16.183 2.605 8.718 1.00 0.00 H ATOM 6 H2 GLY A 1 16.014 4.152 9.397 1.00 0.00 H ATOM 7 H3 GLY A 1 17.120 3.892 8.133 1.00 0.00 H ATOM 8 HA2 GLY A 1 14.164 3.664 7.923 1.00 0.00 H ATOM 9 HA3 GLY A 1 15.137 5.005 7.317 1.00 0.00 H ATOM 10 N ARG A 2 16.497 2.446 6.199 1.00 0.00 N ATOM 11 CA ARG A 2 16.854 1.675 5.017 1.00 0.00 C ATOM 12 C ARG A 2 15.893 0.506 4.821 1.00 0.00 C ATOM 13 O ARG A 2 15.810 -0.067 3.735 1.00 0.00 O ATOM 14 CB ARG A 2 18.294 1.173 5.137 1.00 0.00 C ATOM 15 CG ARG A 2 18.703 0.470 3.842 1.00 0.00 C ATOM 16 CD ARG A 2 20.222 0.290 3.820 1.00 0.00 C ATOM 17 NE ARG A 2 20.624 -0.473 2.645 1.00 0.00 N ATOM 18 CZ ARG A 2 21.883 -0.463 2.215 1.00 0.00 C ATOM 19 NH1 ARG A 2 22.779 0.253 2.838 1.00 0.00 N1+ ATOM 20 NH2 ARG A 2 22.223 -1.174 1.175 1.00 0.00 N ATOM 21 H ARG A 2 17.085 2.425 6.985 1.00 0.00 H ATOM 22 HA ARG A 2 16.789 2.320 4.154 1.00 0.00 H ATOM 23 HB2 ARG A 2 18.954 2.008 5.318 1.00 0.00 H ATOM 24 HB3 ARG A 2 18.362 0.475 5.958 1.00 0.00 H ATOM 25 HG2 ARG A 2 18.226 -0.499 3.793 1.00 0.00 H ATOM 26 HG3 ARG A 2 18.399 1.064 2.996 1.00 0.00 H ATOM 27 HD2 ARG A 2 20.693 1.261 3.787 1.00 0.00 H ATOM 28 HD3 ARG A 2 20.537 -0.228 4.714 1.00 0.00 H ATOM 29 HE ARG A 2 19.956 -1.002 2.162 1.00 0.00 H ATOM 30 HH11 ARG A 2 22.519 0.795 3.637 1.00 0.00 H ATOM 31 HH12 ARG A 2 23.726 0.259 2.515 1.00 0.00 H ATOM 32 HH21 ARG A 2 21.537 -1.724 0.700 1.00 0.00 H ATOM 33 HH22 ARG A 2 23.170 -1.167 0.853 1.00 0.00 H ATOM 34 N ILE A 3 15.166 0.164 5.875 1.00 0.00 N ATOM 35 CA ILE A 3 14.208 -0.930 5.805 1.00 0.00 C ATOM 36 C ILE A 3 12.783 -0.392 5.726 1.00 0.00 C ATOM 37 O ILE A 3 11.819 -1.157 5.719 1.00 0.00 O ATOM 38 CB ILE A 3 14.350 -1.817 7.036 1.00 0.00 C ATOM 39 CG1 ILE A 3 15.818 -2.211 7.190 1.00 0.00 C ATOM 40 CG2 ILE A 3 13.494 -3.074 6.862 1.00 0.00 C ATOM 41 CD1 ILE A 3 16.257 -3.026 5.975 1.00 0.00 C ATOM 42 H ILE A 3 15.271 0.656 6.714 1.00 0.00 H ATOM 43 HA ILE A 3 14.413 -1.519 4.923 1.00 0.00 H ATOM 44 HB ILE A 3 14.024 -1.275 7.913 1.00 0.00 H ATOM 45 HG12 ILE A 3 16.420 -1.315 7.256 1.00 0.00 H ATOM 46 HG13 ILE A 3 15.944 -2.800 8.085 1.00 0.00 H ATOM 47 HG21 ILE A 3 13.704 -3.767 7.662 1.00 0.00 H ATOM 48 HG22 ILE A 3 13.725 -3.538 5.913 1.00 0.00 H ATOM 49 HG23 ILE A 3 12.448 -2.803 6.885 1.00 0.00 H ATOM 50 HD11 ILE A 3 17.162 -3.566 6.209 1.00 0.00 H ATOM 51 HD12 ILE A 3 16.440 -2.360 5.143 1.00 0.00 H ATOM 52 HD13 ILE A 3 15.478 -3.726 5.710 1.00 0.00 H ATOM 53 N ASP A 4 12.658 0.931 5.667 1.00 0.00 N ATOM 54 CA ASP A 4 11.344 1.561 5.592 1.00 0.00 C ATOM 55 C ASP A 4 10.652 1.194 4.282 1.00 0.00 C ATOM 56 O ASP A 4 11.286 1.139 3.229 1.00 0.00 O ATOM 57 CB ASP A 4 11.488 3.082 5.688 1.00 0.00 C ATOM 58 CG ASP A 4 11.717 3.496 7.138 1.00 0.00 C ATOM 59 OD1 ASP A 4 11.459 2.686 8.013 1.00 0.00 O ATOM 60 OD2 ASP A 4 12.148 4.617 7.353 1.00 0.00 O1- ATOM 61 H ASP A 4 13.461 1.491 5.676 1.00 0.00 H ATOM 62 HA ASP A 4 10.741 1.214 6.418 1.00 0.00 H ATOM 63 HB2 ASP A 4 12.326 3.402 5.085 1.00 0.00 H ATOM 64 HB3 ASP A 4 10.585 3.550 5.322 1.00 0.00 H HETATM 65 N DBU A 5 9.347 0.947 4.355 1.00 0.00 N HETATM 66 CA DBU A 5 8.604 0.596 3.207 1.00 0.00 C HETATM 67 CB DBU A 5 7.464 1.217 2.683 1.00 0.00 C HETATM 68 CG DBU A 5 6.795 2.430 3.284 1.00 0.00 C HETATM 69 C DBU A 5 9.216 -0.615 2.542 1.00 0.00 C HETATM 70 O DBU A 5 9.353 -1.679 3.145 1.00 0.00 O HETATM 71 H DBU A 5 8.884 1.001 5.216 1.00 0.00 H HETATM 72 HB DBU A 5 7.015 0.818 1.786 1.00 0.00 H HETATM 73 HG1 DBU A 5 5.727 2.274 3.322 1.00 0.00 H HETATM 74 HG2 DBU A 5 7.170 2.591 4.284 1.00 0.00 H HETATM 75 HG3 DBU A 5 7.011 3.297 2.676 1.00 0.00 H ATOM 76 N CYS A 6 9.587 -0.450 1.277 1.00 0.00 N ATOM 77 CA CYS A 6 10.194 -1.540 0.519 1.00 0.00 C ATOM 78 C CYS A 6 10.884 -2.525 1.455 1.00 0.00 C ATOM 79 O CYS A 6 12.062 -2.372 1.786 1.00 0.00 O ATOM 80 CB CYS A 6 11.205 -0.974 -0.481 1.00 0.00 C ATOM 81 SG CYS A 6 12.640 -0.321 0.399 1.00 0.00 S ATOM 82 H CYS A 6 9.455 0.418 0.846 1.00 0.00 H ATOM 83 HA CYS A 6 9.419 -2.059 -0.025 1.00 0.00 H ATOM 84 HB2 CYS A 6 11.528 -1.751 -1.152 1.00 0.00 H ATOM 85 HB3 CYS A 6 10.742 -0.180 -1.048 1.00 0.00 H ATOM 86 N PRO A 7 10.174 -3.530 1.886 1.00 0.00 N ATOM 87 CA PRO A 7 10.717 -4.568 2.809 1.00 0.00 C ATOM 88 C PRO A 7 11.821 -5.394 2.155 1.00 0.00 C ATOM 89 O PRO A 7 11.770 -5.680 0.959 1.00 0.00 O ATOM 90 CB PRO A 7 9.501 -5.438 3.145 1.00 0.00 C ATOM 91 CG PRO A 7 8.541 -5.222 2.025 1.00 0.00 C ATOM 92 CD PRO A 7 8.771 -3.793 1.536 1.00 0.00 C ATOM 93 HA PRO A 7 11.088 -4.105 3.710 1.00 0.00 H ATOM 94 HB2 PRO A 7 9.789 -6.477 3.202 1.00 0.00 H ATOM 95 HB3 PRO A 7 9.060 -5.117 4.076 1.00 0.00 H ATOM 96 HG2 PRO A 7 8.736 -5.928 1.229 1.00 0.00 H ATOM 97 HG3 PRO A 7 7.528 -5.328 2.377 1.00 0.00 H ATOM 98 HD2 PRO A 7 8.623 -3.731 0.465 1.00 0.00 H ATOM 99 HD3 PRO A 7 8.121 -3.105 2.053 1.00 0.00 H ATOM 100 N ALA A 8 12.815 -5.778 2.949 1.00 0.00 N ATOM 101 CA ALA A 8 13.924 -6.573 2.436 1.00 0.00 C ATOM 102 C ALA A 8 14.444 -5.994 1.122 1.00 0.00 C ATOM 103 O ALA A 8 15.182 -6.655 0.392 1.00 0.00 O ATOM 104 CB ALA A 8 13.468 -8.016 2.213 1.00 0.00 C ATOM 105 H ALA A 8 12.803 -5.522 3.894 1.00 0.00 H ATOM 106 HA ALA A 8 14.724 -6.568 3.161 1.00 0.00 H ATOM 107 HB1 ALA A 8 14.324 -8.635 1.990 1.00 0.00 H ATOM 108 HB2 ALA A 8 12.773 -8.051 1.386 1.00 0.00 H ATOM 109 HB3 ALA A 8 12.982 -8.382 3.106 1.00 0.00 H ATOM 110 N GLY A 9 14.056 -4.756 0.829 1.00 0.00 N ATOM 111 CA GLY A 9 14.493 -4.102 -0.400 1.00 0.00 C ATOM 112 C GLY A 9 15.905 -3.548 -0.250 1.00 0.00 C ATOM 113 O GLY A 9 16.497 -3.064 -1.214 1.00 0.00 O ATOM 114 H GLY A 9 13.469 -4.275 1.448 1.00 0.00 H ATOM 115 HA2 GLY A 9 14.476 -4.821 -1.207 1.00 0.00 H ATOM 116 HA3 GLY A 9 13.817 -3.292 -0.631 1.00 0.00 H ATOM 117 N GLY A 10 16.439 -3.621 0.965 1.00 0.00 N ATOM 118 CA GLY A 10 17.784 -3.126 1.228 1.00 0.00 C ATOM 119 C GLY A 10 17.974 -1.722 0.660 1.00 0.00 C ATOM 120 O GLY A 10 17.839 -0.729 1.375 1.00 0.00 O ATOM 121 H GLY A 10 15.921 -4.020 1.696 1.00 0.00 H ATOM 122 HA2 GLY A 10 17.952 -3.103 2.296 1.00 0.00 H ATOM 123 HA3 GLY A 10 18.502 -3.787 0.770 1.00 0.00 H ATOM 124 N GLY A 11 18.290 -1.650 -0.631 1.00 0.00 N ATOM 125 CA GLY A 11 18.498 -0.365 -1.291 1.00 0.00 C ATOM 126 C GLY A 11 17.307 0.561 -1.066 1.00 0.00 C ATOM 127 O GLY A 11 17.443 1.784 -1.088 1.00 0.00 O ATOM 128 H GLY A 11 18.385 -2.477 -1.149 1.00 0.00 H ATOM 129 HA2 GLY A 11 19.392 0.097 -0.897 1.00 0.00 H ATOM 130 HA3 GLY A 11 18.617 -0.527 -2.351 1.00 0.00 H HETATM 131 N DBB A 12 16.142 -0.039 -0.856 1.00 0.00 N HETATM 132 CA DBB A 12 14.921 0.724 -0.631 1.00 0.00 C HETATM 133 C DBB A 12 14.971 2.026 -1.418 1.00 0.00 C HETATM 134 O DBB A 12 14.454 3.053 -0.982 1.00 0.00 O HETATM 135 CB DBB A 12 13.706 -0.125 -1.046 1.00 0.00 C HETATM 136 CG DBB A 12 12.971 0.538 -2.217 1.00 0.00 C HETATM 137 H DBB A 12 16.102 -1.009 -0.858 1.00 0.00 H HETATM 138 HA DBB A 12 14.836 0.953 0.422 1.00 0.00 H HETATM 139 HB2 DBB A 12 14.043 -1.105 -1.364 1.00 0.00 H HETATM 140 HG1 DBB A 12 12.033 0.031 -2.390 1.00 0.00 H HETATM 141 HG2 DBB A 12 13.581 0.475 -3.104 1.00 0.00 H HETATM 142 HG3 DBB A 12 12.780 1.575 -1.985 1.00 0.00 H HETATM 143 N DAL A 13 15.600 1.957 -2.584 1.00 0.00 N HETATM 144 CA DAL A 13 15.726 3.113 -3.448 1.00 0.00 C HETATM 145 CB DAL A 13 16.243 4.306 -2.653 1.00 0.00 C HETATM 146 C DAL A 13 14.371 3.446 -4.076 1.00 0.00 C HETATM 147 O DAL A 13 13.331 3.085 -3.520 1.00 0.00 O HETATM 148 H DAL A 13 15.985 1.101 -2.868 1.00 0.00 H HETATM 149 HA DAL A 13 16.442 2.881 -4.221 1.00 0.00 H HETATM 150 HB1 DAL A 13 15.935 4.224 -1.623 1.00 0.00 H HETATM 151 HB2 DAL A 13 17.320 4.325 -2.702 1.00 0.00 H ATOM 152 N GLU A 14 14.368 4.121 -5.232 1.00 0.00 N ATOM 153 CA GLU A 14 13.113 4.465 -5.891 1.00 0.00 C ATOM 154 C GLU A 14 12.217 3.235 -6.020 1.00 0.00 C ATOM 155 O GLU A 14 11.053 3.345 -6.399 1.00 0.00 O ATOM 156 CB GLU A 14 13.389 5.045 -7.278 1.00 0.00 C ATOM 157 CG GLU A 14 14.060 6.411 -7.136 1.00 0.00 C ATOM 158 CD GLU A 14 14.418 6.960 -8.513 1.00 0.00 C ATOM 159 OE1 GLU A 14 14.119 6.293 -9.490 1.00 0.00 O ATOM 160 OE2 GLU A 14 14.983 8.039 -8.569 1.00 0.00 O1- ATOM 161 H GLU A 14 15.213 4.392 -5.647 1.00 0.00 H ATOM 162 HA GLU A 14 12.601 5.209 -5.299 1.00 0.00 H ATOM 163 HB2 GLU A 14 14.037 4.379 -7.827 1.00 0.00 H ATOM 164 HB3 GLU A 14 12.456 5.160 -7.811 1.00 0.00 H ATOM 165 HG2 GLU A 14 13.383 7.092 -6.643 1.00 0.00 H ATOM 166 HG3 GLU A 14 14.959 6.309 -6.548 1.00 0.00 H ATOM 167 N GLN A 15 12.766 2.066 -5.709 1.00 0.00 N ATOM 168 CA GLN A 15 12.004 0.825 -5.791 1.00 0.00 C ATOM 169 C GLN A 15 10.951 0.767 -4.687 1.00 0.00 C ATOM 170 O GLN A 15 10.303 -0.260 -4.483 1.00 0.00 O ATOM 171 CB GLN A 15 12.953 -0.371 -5.663 1.00 0.00 C ATOM 172 CG GLN A 15 13.835 -0.456 -6.908 1.00 0.00 C ATOM 173 CD GLN A 15 14.837 -1.595 -6.756 1.00 0.00 C ATOM 174 OE1 GLN A 15 14.790 -2.337 -5.774 1.00 0.00 O ATOM 175 NE2 GLN A 15 15.745 -1.777 -7.673 1.00 0.00 N ATOM 176 H GLN A 15 13.698 2.034 -5.419 1.00 0.00 H ATOM 177 HA GLN A 15 11.511 0.778 -6.750 1.00 0.00 H ATOM 178 HB2 GLN A 15 13.578 -0.247 -4.790 1.00 0.00 H ATOM 179 HB3 GLN A 15 12.378 -1.280 -5.568 1.00 0.00 H ATOM 180 HG2 GLN A 15 13.215 -0.635 -7.773 1.00 0.00 H ATOM 181 HG3 GLN A 15 14.369 0.474 -7.032 1.00 0.00 H ATOM 182 HE21 GLN A 15 15.779 -1.186 -8.453 1.00 0.00 H ATOM 183 HE22 GLN A 15 16.392 -2.508 -7.583 1.00 0.00 H HETATM 184 N DBB A 16 10.788 1.879 -3.976 1.00 0.00 N HETATM 185 CA DBB A 16 9.813 1.951 -2.889 1.00 0.00 C HETATM 186 C DBB A 16 10.475 2.456 -1.607 1.00 0.00 C HETATM 187 O DBB A 16 11.475 3.171 -1.652 1.00 0.00 O HETATM 188 CB DBB A 16 8.657 2.889 -3.266 1.00 0.00 C HETATM 189 CG DBB A 16 8.512 2.927 -4.784 1.00 0.00 C HETATM 190 H DBB A 16 11.335 2.663 -4.182 1.00 0.00 H HETATM 191 HA DBB A 16 9.415 0.963 -2.709 1.00 0.00 H HETATM 192 HB2 DBB A 16 7.733 2.523 -2.835 1.00 0.00 H HETATM 193 HG1 DBB A 16 9.430 3.283 -5.223 1.00 0.00 H HETATM 194 HG2 DBB A 16 7.703 3.593 -5.052 1.00 0.00 H HETATM 195 HG3 DBB A 16 8.296 1.935 -5.153 1.00 0.00 H ATOM 196 N GLY A 17 9.903 2.084 -0.466 1.00 0.00 N ATOM 197 CA GLY A 17 10.440 2.508 0.824 1.00 0.00 C ATOM 198 C GLY A 17 11.931 2.797 0.728 1.00 0.00 C ATOM 199 O GLY A 17 12.644 2.171 -0.049 1.00 0.00 O ATOM 200 H GLY A 17 9.105 1.517 -0.492 1.00 0.00 H ATOM 201 HA2 GLY A 17 9.924 3.400 1.148 1.00 0.00 H ATOM 202 HA3 GLY A 17 10.282 1.724 1.547 1.00 0.00 H HETATM 203 N DBU A 18 12.397 3.750 1.526 1.00 0.00 N HETATM 204 CA DBU A 18 13.770 4.070 1.493 1.00 0.00 C HETATM 205 CB DBU A 18 14.854 3.302 1.939 1.00 0.00 C HETATM 206 CG DBU A 18 14.776 1.931 2.567 1.00 0.00 C HETATM 207 C DBU A 18 13.994 5.433 0.879 1.00 0.00 C HETATM 208 O DBU A 18 14.184 6.428 1.580 1.00 0.00 O HETATM 209 H DBU A 18 11.791 4.226 2.134 1.00 0.00 H HETATM 210 HB DBU A 18 15.848 3.710 1.834 1.00 0.00 H HETATM 211 HG1 DBU A 18 15.648 1.361 2.287 1.00 0.00 H HETATM 212 HG2 DBU A 18 14.731 2.016 3.643 1.00 0.00 H HETATM 213 HG3 DBU A 18 13.889 1.430 2.209 1.00 0.00 H ATOM 214 N CYS A 19 13.980 5.481 -0.450 1.00 0.00 N ATOM 215 CA CYS A 19 14.194 6.740 -1.157 1.00 0.00 C ATOM 216 C CYS A 19 13.135 6.960 -2.236 1.00 0.00 C ATOM 217 O CYS A 19 13.258 7.869 -3.058 1.00 0.00 O ATOM 218 CB CYS A 19 15.591 6.743 -1.787 1.00 0.00 C ATOM 219 SG CYS A 19 15.567 5.830 -3.342 1.00 0.00 S ATOM 220 H CYS A 19 13.831 4.661 -0.962 1.00 0.00 H ATOM 221 HA CYS A 19 14.136 7.551 -0.446 1.00 0.00 H ATOM 222 HB2 CYS A 19 15.904 7.752 -1.970 1.00 0.00 H ATOM 223 HB3 CYS A 19 16.291 6.269 -1.111 1.00 0.00 H ATOM 224 N CYS A 20 12.092 6.134 -2.231 1.00 0.00 N ATOM 225 CA CYS A 20 11.025 6.269 -3.221 1.00 0.00 C ATOM 226 C CYS A 20 9.895 7.147 -2.684 1.00 0.00 C ATOM 227 O CYS A 20 10.048 7.676 -1.594 1.00 0.00 O ATOM 228 CB CYS A 20 10.474 4.893 -3.594 1.00 0.00 C ATOM 229 SG CYS A 20 8.996 4.542 -2.607 1.00 0.00 S ATOM 230 OXT CYS A 20 8.894 7.273 -3.370 1.00 0.00 O ATOM 231 H CYS A 20 12.037 5.426 -1.554 1.00 0.00 H ATOM 232 HA CYS A 20 11.430 6.731 -4.109 1.00 0.00 H ATOM 233 HB2 CYS A 20 10.219 4.879 -4.644 1.00 0.00 H ATOM 234 HB3 CYS A 20 11.226 4.145 -3.399 1.00 0.00 H TER 235 CYS A 20