ATOM 1 N CYS A 1 3.719 8.897 0.361 1.00 3.15 N ATOM 2 CA CYS A 1 2.264 8.664 0.258 1.00 2.26 C ATOM 3 C CYS A 1 1.976 7.700 -0.900 1.00 1.98 C ATOM 4 O CYS A 1 2.820 7.556 -1.788 1.00 2.33 O ATOM 5 CB CYS A 1 1.560 10.007 0.059 1.00 2.34 C ATOM 6 SG CYS A 1 -0.045 10.072 0.869 1.00 1.91 S ATOM 7 H1 CYS A 1 4.100 9.177 -0.570 1.00 3.65 H ATOM 8 H2 CYS A 1 3.917 9.656 1.049 1.00 3.48 H ATOM 9 H3 CYS A 1 4.198 8.026 0.670 1.00 3.45 H ATOM 10 HA CYS A 1 1.924 8.215 1.181 1.00 2.29 H ATOM 11 HB2 CYS A 1 2.179 10.794 0.463 1.00 2.87 H ATOM 12 HB3 CYS A 1 1.415 10.177 -0.998 1.00 2.72 H HETATM 13 N DBB A 2 0.856 6.949 -0.868 1.00 1.75 N HETATM 14 CA DBB A 2 -0.191 7.048 0.161 1.00 1.40 C HETATM 15 C DBB A 2 0.261 6.524 1.524 1.00 1.07 C HETATM 16 O DBB A 2 1.445 6.563 1.862 1.00 1.04 O HETATM 17 CB DBB A 2 -0.705 8.497 0.305 1.00 1.37 C HETATM 18 CG DBB A 2 -1.841 8.767 -0.668 1.00 2.04 C HETATM 19 H DBB A 2 0.705 6.328 -1.614 1.00 2.09 H HETATM 20 HA DBB A 2 -1.020 6.442 -0.173 1.00 1.56 H HETATM 21 HB2 DBB A 2 -1.085 8.622 1.309 1.00 1.20 H HETATM 22 HG1 DBB A 2 -2.256 7.830 -1.008 1.00 2.44 H HETATM 23 HG2 DBB A 2 -1.463 9.322 -1.515 1.00 2.43 H HETATM 24 HG3 DBB A 2 -2.611 9.344 -0.175 1.00 2.55 H ATOM 25 N PHE A 3 -0.694 6.028 2.303 1.00 0.92 N ATOM 26 CA PHE A 3 -0.409 5.514 3.635 1.00 0.68 C ATOM 27 C PHE A 3 0.469 4.269 3.563 1.00 0.63 C ATOM 28 O PHE A 3 0.003 3.187 3.207 1.00 0.81 O ATOM 29 CB PHE A 3 -1.708 5.202 4.382 1.00 0.75 C ATOM 30 CG PHE A 3 -1.502 4.904 5.843 1.00 0.72 C ATOM 31 CD1 PHE A 3 -0.748 5.750 6.638 1.00 0.68 C ATOM 32 CD2 PHE A 3 -2.059 3.772 6.419 1.00 0.92 C ATOM 33 CE1 PHE A 3 -0.558 5.478 7.980 1.00 0.82 C ATOM 34 CE2 PHE A 3 -1.873 3.495 7.760 1.00 1.03 C ATOM 35 CZ PHE A 3 -1.125 4.356 8.544 1.00 0.98 C ATOM 36 H PHE A 3 -1.618 6.006 1.972 1.00 1.06 H ATOM 37 HA PHE A 3 0.129 6.281 4.174 1.00 0.65 H ATOM 38 HB2 PHE A 3 -2.372 6.051 4.306 1.00 0.86 H ATOM 39 HB3 PHE A 3 -2.178 4.341 3.928 1.00 0.87 H ATOM 40 HD1 PHE A 3 -0.307 6.634 6.203 1.00 0.67 H ATOM 41 HD2 PHE A 3 -2.648 3.103 5.807 1.00 1.08 H ATOM 42 HE1 PHE A 3 0.033 6.147 8.589 1.00 0.92 H ATOM 43 HE2 PHE A 3 -2.313 2.609 8.196 1.00 1.24 H ATOM 44 HZ PHE A 3 -0.978 4.141 9.592 1.00 1.15 H HETATM 45 N DBB A 4 1.744 4.448 3.866 1.00 0.58 N HETATM 46 CA DBB A 4 2.719 3.368 3.829 1.00 0.66 C HETATM 47 C DBB A 4 4.103 3.938 3.490 1.00 0.86 C HETATM 48 O DBB A 4 4.330 4.362 2.356 1.00 1.45 O HETATM 49 CB DBB A 4 2.757 2.596 5.179 1.00 0.60 C HETATM 50 CG DBB A 4 2.477 3.511 6.365 1.00 1.01 C HETATM 51 H DBB A 4 2.053 5.352 4.107 1.00 0.61 H HETATM 52 HA DBB A 4 2.432 2.671 3.042 1.00 0.76 H HETATM 53 HB2 DBB A 4 3.737 2.165 5.303 1.00 0.86 H HETATM 54 HG1 DBB A 4 1.412 3.553 6.545 1.00 1.36 H HETATM 55 HG2 DBB A 4 2.844 4.504 6.151 1.00 1.64 H HETATM 56 HG3 DBB A 4 2.975 3.125 7.243 1.00 1.60 H ATOM 57 N LEU A 5 4.959 4.095 4.502 1.00 0.75 N ATOM 58 CA LEU A 5 6.253 4.756 4.326 1.00 0.89 C ATOM 59 C LEU A 5 7.152 4.052 3.294 1.00 0.83 C ATOM 60 O LEU A 5 7.629 4.701 2.362 1.00 1.18 O ATOM 61 CB LEU A 5 6.979 4.868 5.673 1.00 1.24 C ATOM 62 CG LEU A 5 6.275 5.728 6.725 1.00 1.68 C ATOM 63 CD1 LEU A 5 7.027 5.675 8.047 1.00 2.45 C ATOM 64 CD2 LEU A 5 6.153 7.165 6.241 1.00 1.76 C ATOM 65 H LEU A 5 4.676 3.852 5.407 1.00 1.03 H ATOM 66 HA LEU A 5 6.052 5.754 3.967 1.00 1.33 H ATOM 67 HB2 LEU A 5 7.098 3.872 6.076 1.00 1.67 H ATOM 68 HB3 LEU A 5 7.958 5.286 5.497 1.00 1.67 H ATOM 69 HG LEU A 5 5.280 5.344 6.891 1.00 2.26 H ATOM 70 HD11 LEU A 5 7.444 4.689 8.183 1.00 2.78 H ATOM 71 HD12 LEU A 5 7.823 6.405 8.037 1.00 2.69 H ATOM 72 HD13 LEU A 5 6.348 5.895 8.857 1.00 3.10 H ATOM 73 HD21 LEU A 5 6.189 7.184 5.161 1.00 1.93 H ATOM 74 HD22 LEU A 5 5.215 7.579 6.578 1.00 2.18 H ATOM 75 HD23 LEU A 5 6.969 7.750 6.639 1.00 2.25 H ATOM 76 N PRO A 6 7.433 2.734 3.441 1.00 0.96 N ATOM 77 CA PRO A 6 8.308 2.018 2.502 1.00 1.54 C ATOM 78 C PRO A 6 7.727 1.967 1.092 1.00 2.01 C ATOM 79 O PRO A 6 6.509 2.020 0.912 1.00 1.95 O ATOM 80 CB PRO A 6 8.418 0.610 3.095 1.00 2.00 C ATOM 81 CG PRO A 6 7.235 0.475 3.986 1.00 1.83 C ATOM 82 CD PRO A 6 6.961 1.850 4.521 1.00 1.07 C ATOM 83 HA PRO A 6 9.288 2.472 2.463 1.00 1.54 H ATOM 84 HB2 PRO A 6 8.399 -0.121 2.302 1.00 2.42 H ATOM 85 HB3 PRO A 6 9.340 0.523 3.651 1.00 2.23 H ATOM 86 HG2 PRO A 6 6.385 0.116 3.421 1.00 2.24 H ATOM 87 HG3 PRO A 6 7.460 -0.204 4.797 1.00 2.17 H ATOM 88 HD2 PRO A 6 5.904 1.985 4.694 1.00 0.98 H ATOM 89 HD3 PRO A 6 7.520 2.020 5.428 1.00 1.27 H ATOM 90 N GLY A 7 8.602 1.911 0.098 1.00 2.70 N ATOM 91 CA GLY A 7 8.162 1.905 -1.283 1.00 3.34 C ATOM 92 C GLY A 7 9.115 1.150 -2.186 1.00 4.03 C ATOM 93 O GLY A 7 9.553 1.671 -3.209 1.00 4.79 O ATOM 94 H GLY A 7 9.564 1.911 0.305 1.00 2.84 H ATOM 95 HA2 GLY A 7 7.188 1.441 -1.337 1.00 3.07 H ATOM 96 HA3 GLY A 7 8.084 2.924 -1.629 1.00 3.76 H ATOM 97 N GLY A 8 9.461 -0.068 -1.791 1.00 4.04 N ATOM 98 CA GLY A 8 10.383 -0.869 -2.575 1.00 4.78 C ATOM 99 C GLY A 8 9.792 -2.206 -2.973 1.00 4.38 C ATOM 100 O GLY A 8 10.494 -3.215 -3.017 1.00 4.63 O ATOM 101 H GLY A 8 9.085 -0.430 -0.951 1.00 3.73 H ATOM 102 HA2 GLY A 8 10.645 -0.325 -3.469 1.00 5.48 H ATOM 103 HA3 GLY A 8 11.279 -1.042 -1.995 1.00 5.13 H ATOM 104 N GLY A 9 8.494 -2.219 -3.232 1.00 3.95 N ATOM 105 CA GLY A 9 7.824 -3.453 -3.593 1.00 3.48 C ATOM 106 C GLY A 9 6.783 -3.849 -2.569 1.00 2.20 C ATOM 107 O GLY A 9 5.646 -3.376 -2.620 1.00 2.33 O ATOM 108 H GLY A 9 7.980 -1.382 -3.173 1.00 4.09 H ATOM 109 HA2 GLY A 9 7.344 -3.324 -4.552 1.00 3.88 H ATOM 110 HA3 GLY A 9 8.557 -4.243 -3.670 1.00 3.89 H ATOM 111 N GLY A 10 7.206 -4.614 -1.572 1.00 1.34 N ATOM 112 CA GLY A 10 6.328 -4.948 -0.470 1.00 0.67 C ATOM 113 C GLY A 10 6.138 -3.770 0.457 1.00 0.58 C ATOM 114 O GLY A 10 6.963 -3.521 1.337 1.00 0.84 O ATOM 115 H GLY A 10 8.154 -4.868 -1.532 1.00 1.76 H ATOM 116 HA2 GLY A 10 5.367 -5.247 -0.864 1.00 1.29 H ATOM 117 HA3 GLY A 10 6.755 -5.770 0.085 1.00 1.20 H ATOM 118 N VAL A 11 5.140 -2.956 0.168 1.00 0.40 N ATOM 119 CA VAL A 11 4.928 -1.721 0.904 1.00 0.36 C ATOM 120 C VAL A 11 4.041 -1.929 2.101 1.00 0.46 C ATOM 121 O VAL A 11 3.259 -2.878 2.182 1.00 1.11 O ATOM 122 CB VAL A 11 4.306 -0.610 0.027 1.00 0.43 C ATOM 123 CG1 VAL A 11 5.268 -0.185 -1.069 1.00 0.61 C ATOM 124 CG2 VAL A 11 2.988 -1.073 -0.573 1.00 0.55 C ATOM 125 H VAL A 11 4.586 -3.145 -0.619 1.00 0.59 H ATOM 126 HA VAL A 11 5.884 -1.371 1.264 1.00 0.45 H ATOM 127 HB VAL A 11 4.103 0.253 0.660 1.00 0.46 H ATOM 128 HG11 VAL A 11 6.239 0.009 -0.638 1.00 1.14 H ATOM 129 HG12 VAL A 11 5.351 -0.972 -1.803 1.00 1.25 H ATOM 130 HG13 VAL A 11 4.900 0.712 -1.544 1.00 1.24 H ATOM 131 HG21 VAL A 11 2.821 -2.109 -0.315 1.00 1.14 H ATOM 132 HG22 VAL A 11 2.182 -0.472 -0.179 1.00 1.19 H ATOM 133 HG23 VAL A 11 3.023 -0.970 -1.647 1.00 1.19 H ATOM 134 N CYS A 12 4.114 -0.965 2.977 1.00 0.33 N ATOM 135 CA CYS A 12 3.234 -0.880 4.103 1.00 0.28 C ATOM 136 C CYS A 12 1.849 -0.461 3.627 1.00 0.27 C ATOM 137 O CYS A 12 1.658 0.661 3.174 1.00 0.54 O ATOM 138 CB CYS A 12 3.840 0.103 5.095 1.00 0.38 C ATOM 139 SG CYS A 12 2.651 1.031 6.072 1.00 0.40 S ATOM 140 H CYS A 12 4.706 -0.209 2.789 1.00 0.80 H ATOM 141 HA CYS A 12 3.172 -1.856 4.559 1.00 0.30 H ATOM 142 HB2 CYS A 12 4.485 -0.442 5.759 1.00 0.48 H ATOM 143 HB3 CYS A 12 4.442 0.813 4.542 1.00 0.44 H HETATM 144 N DBB A 13 0.990 -1.447 3.442 1.00 0.29 N HETATM 145 CA DBB A 13 -0.272 -1.216 2.779 1.00 0.29 C HETATM 146 C DBB A 13 -0.300 -1.971 1.472 1.00 0.29 C HETATM 147 O DBB A 13 -0.961 -1.553 0.529 1.00 0.29 O HETATM 148 CB DBB A 13 -1.491 -1.661 3.620 1.00 0.30 C HETATM 149 CG DBB A 13 -1.163 -1.672 5.106 1.00 0.42 C HETATM 150 H DBB A 13 1.282 -2.366 3.585 1.00 0.55 H HETATM 151 HA DBB A 13 -0.351 -0.160 2.573 1.00 0.30 H HETATM 152 HB2 DBB A 13 -1.750 -2.669 3.325 1.00 0.41 H HETATM 153 HG1 DBB A 13 -0.512 -0.842 5.337 1.00 1.13 H HETATM 154 HG2 DBB A 13 -0.668 -2.599 5.357 1.00 1.03 H HETATM 155 HG3 DBB A 13 -2.075 -1.587 5.676 1.00 0.99 H ATOM 156 N LEU A 14 0.401 -3.097 1.426 1.00 0.32 N ATOM 157 CA LEU A 14 0.430 -3.919 0.246 1.00 0.35 C ATOM 158 C LEU A 14 -0.896 -4.654 0.099 1.00 0.30 C ATOM 159 O LEU A 14 -1.030 -5.820 0.476 1.00 0.38 O ATOM 160 CB LEU A 14 1.597 -4.903 0.333 1.00 0.45 C ATOM 161 CG LEU A 14 1.625 -5.953 -0.762 1.00 0.49 C ATOM 162 CD1 LEU A 14 1.875 -5.314 -2.120 1.00 0.51 C ATOM 163 CD2 LEU A 14 2.673 -7.013 -0.465 1.00 0.63 C ATOM 164 H LEU A 14 0.895 -3.396 2.216 1.00 0.35 H ATOM 165 HA LEU A 14 0.571 -3.274 -0.607 1.00 0.38 H ATOM 166 HB2 LEU A 14 2.520 -4.341 0.289 1.00 0.50 H ATOM 167 HB3 LEU A 14 1.547 -5.408 1.285 1.00 0.47 H ATOM 168 HG LEU A 14 0.661 -6.428 -0.784 1.00 0.44 H ATOM 169 HD11 LEU A 14 1.920 -4.242 -2.010 1.00 1.13 H ATOM 170 HD12 LEU A 14 2.812 -5.674 -2.519 1.00 1.15 H ATOM 171 HD13 LEU A 14 1.072 -5.574 -2.793 1.00 1.08 H ATOM 172 HD21 LEU A 14 2.661 -7.244 0.590 1.00 1.25 H ATOM 173 HD22 LEU A 14 2.452 -7.905 -1.033 1.00 1.24 H ATOM 174 HD23 LEU A 14 3.648 -6.641 -0.742 1.00 1.14 H HETATM 175 N DBB A 15 -1.902 -3.911 -0.313 1.00 0.24 N HETATM 176 CA DBB A 15 -3.248 -4.433 -0.425 1.00 0.31 C HETATM 177 C DBB A 15 -4.245 -3.328 -0.140 1.00 0.21 C HETATM 178 O DBB A 15 -3.853 -2.239 0.290 1.00 0.20 O HETATM 179 CB DBB A 15 -3.502 -5.020 -1.826 1.00 0.52 C HETATM 180 CG DBB A 15 -3.277 -6.513 -1.796 1.00 1.08 C HETATM 181 H DBB A 15 -1.755 -2.938 -0.439 1.00 0.28 H HETATM 182 HA DBB A 15 -3.368 -5.220 0.307 1.00 0.40 H HETATM 183 HB2 DBB A 15 -4.534 -4.837 -2.092 1.00 0.51 H HETATM 184 HG1 DBB A 15 -2.339 -6.741 -2.275 1.00 1.37 H HETATM 185 HG2 DBB A 15 -4.082 -7.004 -2.320 1.00 1.71 H HETATM 186 HG3 DBB A 15 -3.253 -6.850 -0.771 1.00 1.62 H HETATM 187 N DHA A 16 -5.521 -3.586 -0.400 1.00 0.22 N HETATM 188 CA DHA A 16 -6.457 -2.607 -0.203 1.00 0.26 C HETATM 189 CB DHA A 16 -7.159 -2.159 -1.245 1.00 0.40 C HETATM 190 C DHA A 16 -6.673 -2.049 1.081 1.00 0.25 C HETATM 191 O DHA A 16 -7.340 -1.022 1.219 1.00 0.30 O HETATM 192 H DHA A 16 -5.734 -4.478 -0.765 1.00 0.28 H HETATM 193 HB1 DHA A 16 -6.995 -2.578 -2.227 1.00 0.45 H HETATM 194 HB2 DHA A 16 -7.865 -1.358 -1.113 1.00 0.51 H ATOM 195 N GLU A 17 -6.040 -2.649 2.087 1.00 0.25 N ATOM 196 CA GLU A 17 -6.076 -2.131 3.445 1.00 0.31 C ATOM 197 C GLU A 17 -5.504 -0.722 3.471 1.00 0.28 C ATOM 198 O GLU A 17 -6.034 0.167 4.136 1.00 0.36 O ATOM 199 CB GLU A 17 -5.255 -3.034 4.372 1.00 0.38 C ATOM 200 CG GLU A 17 -5.404 -2.711 5.851 1.00 0.49 C ATOM 201 CD GLU A 17 -6.796 -2.986 6.394 1.00 1.43 C ATOM 202 OE1 GLU A 17 -7.689 -3.318 5.588 1.00 2.36 O ATOM 203 OE2 GLU A 17 -7.010 -2.872 7.620 1.00 1.79 O ATOM 204 H GLU A 17 -5.486 -3.434 1.894 1.00 0.26 H ATOM 205 HA GLU A 17 -7.104 -2.108 3.775 1.00 0.37 H ATOM 206 HB2 GLU A 17 -5.551 -4.058 4.218 1.00 0.40 H ATOM 207 HB3 GLU A 17 -4.210 -2.933 4.113 1.00 0.40 H ATOM 208 HG2 GLU A 17 -4.699 -3.310 6.407 1.00 0.85 H ATOM 209 HG3 GLU A 17 -5.178 -1.666 5.999 1.00 0.90 H ATOM 210 N CYS A 18 -4.475 -0.502 2.660 1.00 0.21 N ATOM 211 CA CYS A 18 -3.893 0.819 2.522 1.00 0.22 C ATOM 212 C CYS A 18 -3.782 1.197 1.053 1.00 0.24 C ATOM 213 O CYS A 18 -4.630 1.899 0.507 1.00 0.30 O ATOM 214 CB CYS A 18 -2.493 0.876 3.128 1.00 0.23 C ATOM 215 SG CYS A 18 -2.196 -0.253 4.502 1.00 0.27 S ATOM 216 H CYS A 18 -4.149 -1.233 2.088 1.00 0.19 H ATOM 217 HA CYS A 18 -4.530 1.528 3.026 1.00 0.28 H ATOM 218 HB2 CYS A 18 -1.793 0.647 2.349 1.00 0.25 H ATOM 219 HB3 CYS A 18 -2.307 1.873 3.463 1.00 0.29 H ATOM 220 N ILE A 19 -2.672 0.778 0.454 1.00 0.26 N ATOM 221 CA ILE A 19 -2.329 1.121 -0.910 1.00 0.34 C ATOM 222 C ILE A 19 -3.277 0.465 -1.908 1.00 0.40 C ATOM 223 O ILE A 19 -4.181 1.118 -2.438 1.00 0.56 O ATOM 224 CB ILE A 19 -0.857 0.738 -1.195 1.00 0.37 C ATOM 225 CG1 ILE A 19 0.067 1.609 -0.352 1.00 1.36 C ATOM 226 CG2 ILE A 19 -0.502 0.863 -2.664 1.00 1.21 C ATOM 227 CD1 ILE A 19 -0.187 3.074 -0.564 1.00 1.88 C ATOM 228 H ILE A 19 -2.031 0.248 0.969 1.00 0.28 H ATOM 229 HA ILE A 19 -2.414 2.189 -0.999 1.00 0.42 H ATOM 230 HB ILE A 19 -0.715 -0.286 -0.906 1.00 1.17 H ATOM 231 HG12 ILE A 19 -0.089 1.389 0.694 1.00 2.01 H ATOM 232 HG13 ILE A 19 1.093 1.404 -0.616 1.00 1.86 H ATOM 233 HG21 ILE A 19 -1.319 0.491 -3.263 1.00 1.77 H ATOM 234 HG22 ILE A 19 -0.316 1.898 -2.903 1.00 1.82 H ATOM 235 HG23 ILE A 19 0.386 0.281 -2.861 1.00 1.59 H ATOM 236 HD11 ILE A 19 -0.843 3.191 -1.412 1.00 2.27 H ATOM 237 HD12 ILE A 19 -0.657 3.486 0.315 1.00 2.43 H ATOM 238 HD13 ILE A 19 0.747 3.578 -0.750 1.00 2.15 H HETATM 239 N TEE A 20 -3.077 -0.817 -2.159 1.00 0.49 N HETATM 240 CB TEE A 20 -3.560 -2.733 -3.526 1.00 0.68 C HETATM 241 CA TEE A 20 -3.901 -1.461 -3.042 1.00 0.60 C HETATM 242 SG TEE A 20 -2.772 -4.339 -3.329 1.00 0.89 S HETATM 243 HN1 TEE A 20 -2.328 -1.252 -1.691 1.00 0.60 H HETATM 244 HB2 TEE A 20 -4.204 -3.577 -3.326 1.00 1.16 H HETATM 245 HA TEE A 20 -3.958 -1.601 -1.969 1.00 0.52 H TER 246 TEE A 20