ATOM 1 N CYS A 1 4.509 8.394 -0.133 1.00 3.15 N ATOM 2 CA CYS A 1 3.239 7.847 -0.661 1.00 2.26 C ATOM 3 C CYS A 1 3.524 6.641 -1.552 1.00 1.98 C ATOM 4 O CYS A 1 4.637 6.522 -2.064 1.00 2.33 O ATOM 5 CB CYS A 1 2.512 8.941 -1.439 1.00 2.34 C ATOM 6 SG CYS A 1 0.728 8.846 -1.251 1.00 1.91 S ATOM 7 H1 CYS A 1 5.296 7.748 -0.360 1.00 3.48 H ATOM 8 H2 CYS A 1 4.707 9.325 -0.559 1.00 3.45 H ATOM 9 H3 CYS A 1 4.452 8.503 0.901 1.00 3.65 H ATOM 10 HA CYS A 1 2.628 7.531 0.173 1.00 2.29 H ATOM 11 HB2 CYS A 1 2.841 9.907 -1.084 1.00 2.87 H ATOM 12 HB3 CYS A 1 2.751 8.847 -2.488 1.00 2.72 H HETATM 13 N DBB A 2 2.574 5.698 -1.696 1.00 1.75 N HETATM 14 CA DBB A 2 1.222 5.777 -1.120 1.00 1.40 C HETATM 15 C DBB A 2 1.218 5.620 0.399 1.00 1.07 C HETATM 16 O DBB A 2 2.245 5.790 1.059 1.00 1.04 O HETATM 17 CB DBB A 2 0.510 7.082 -1.526 1.00 1.37 C HETATM 18 CG DBB A 2 -0.307 6.868 -2.788 1.00 2.04 C HETATM 19 H DBB A 2 2.785 4.915 -2.255 1.00 2.09 H HETATM 20 HA DBB A 2 0.653 4.959 -1.536 1.00 1.56 H HETATM 21 HB2 DBB A 2 -0.169 7.357 -0.730 1.00 1.20 H HETATM 22 HG1 DBB A 2 -1.141 6.216 -2.571 1.00 2.44 H HETATM 23 HG2 DBB A 2 0.314 6.413 -3.547 1.00 2.43 H HETATM 24 HG3 DBB A 2 -0.676 7.818 -3.145 1.00 2.55 H ATOM 25 N PHE A 3 0.092 5.155 0.926 1.00 0.92 N ATOM 26 CA PHE A 3 -0.014 4.826 2.339 1.00 0.68 C ATOM 27 C PHE A 3 0.862 3.614 2.640 1.00 0.63 C ATOM 28 O PHE A 3 0.669 2.545 2.061 1.00 0.81 O ATOM 29 CB PHE A 3 -1.477 4.554 2.715 1.00 0.75 C ATOM 30 CG PHE A 3 -1.727 4.459 4.199 1.00 0.72 C ATOM 31 CD1 PHE A 3 -0.976 5.212 5.088 1.00 0.68 C ATOM 32 CD2 PHE A 3 -2.698 3.609 4.706 1.00 0.92 C ATOM 33 CE1 PHE A 3 -1.190 5.122 6.449 1.00 0.82 C ATOM 34 CE2 PHE A 3 -2.916 3.512 6.068 1.00 1.03 C ATOM 35 CZ PHE A 3 -2.215 4.298 6.934 1.00 0.98 C ATOM 36 H PHE A 3 -0.658 4.931 0.328 1.00 1.06 H ATOM 37 HA PHE A 3 0.347 5.671 2.908 1.00 0.65 H ATOM 38 HB2 PHE A 3 -2.090 5.356 2.331 1.00 0.86 H ATOM 39 HB3 PHE A 3 -1.790 3.623 2.264 1.00 0.87 H ATOM 40 HD1 PHE A 3 -0.217 5.878 4.705 1.00 0.67 H ATOM 41 HD2 PHE A 3 -3.289 3.014 4.023 1.00 1.08 H ATOM 42 HE1 PHE A 3 -0.598 5.718 7.129 1.00 0.92 H ATOM 43 HE2 PHE A 3 -3.674 2.845 6.450 1.00 1.24 H ATOM 44 HZ PHE A 3 -2.404 4.235 7.995 1.00 1.15 H HETATM 45 N DBB A 4 1.925 3.846 3.398 1.00 0.58 N HETATM 46 CA DBB A 4 2.955 2.836 3.629 1.00 0.66 C HETATM 47 C DBB A 4 4.287 3.527 3.904 1.00 0.86 C HETATM 48 O DBB A 4 4.304 4.680 4.333 1.00 1.45 O HETATM 49 CB DBB A 4 2.612 1.869 4.795 1.00 0.60 C HETATM 50 CG DBB A 4 1.423 2.353 5.616 1.00 1.01 C HETATM 51 H DBB A 4 2.097 4.767 3.699 1.00 0.61 H HETATM 52 HA DBB A 4 3.055 2.250 2.718 1.00 0.76 H HETATM 53 HB2 DBB A 4 2.373 0.896 4.377 1.00 0.86 H HETATM 54 HG1 DBB A 4 0.978 3.208 5.129 1.00 1.36 H HETATM 55 HG2 DBB A 4 1.759 2.634 6.602 1.00 1.64 H HETATM 56 HG3 DBB A 4 0.693 1.563 5.694 1.00 1.60 H ATOM 57 N LEU A 5 5.391 2.875 3.556 1.00 0.75 N ATOM 58 CA LEU A 5 6.711 3.495 3.678 1.00 0.89 C ATOM 59 C LEU A 5 7.575 3.205 2.442 1.00 0.83 C ATOM 60 O LEU A 5 7.874 4.122 1.674 1.00 1.18 O ATOM 61 CB LEU A 5 7.424 3.054 4.965 1.00 1.24 C ATOM 62 CG LEU A 5 6.785 3.521 6.270 1.00 1.68 C ATOM 63 CD1 LEU A 5 7.414 2.795 7.442 1.00 2.45 C ATOM 64 CD2 LEU A 5 6.947 5.024 6.431 1.00 1.76 C ATOM 65 H LEU A 5 5.312 1.996 3.120 1.00 1.03 H ATOM 66 HA LEU A 5 6.557 4.563 3.727 1.00 1.33 H ATOM 67 HB2 LEU A 5 7.462 1.974 4.977 1.00 1.67 H ATOM 68 HB3 LEU A 5 8.436 3.429 4.934 1.00 1.67 H ATOM 69 HG LEU A 5 5.729 3.293 6.254 1.00 2.26 H ATOM 70 HD11 LEU A 5 7.803 1.843 7.105 1.00 3.10 H ATOM 71 HD12 LEU A 5 8.220 3.391 7.845 1.00 2.78 H ATOM 72 HD13 LEU A 5 6.671 2.628 8.205 1.00 2.69 H ATOM 73 HD21 LEU A 5 7.240 5.454 5.485 1.00 2.25 H ATOM 74 HD22 LEU A 5 6.008 5.455 6.750 1.00 1.93 H ATOM 75 HD23 LEU A 5 7.707 5.225 7.172 1.00 2.18 H ATOM 76 N PRO A 6 8.000 1.937 2.216 1.00 0.96 N ATOM 77 CA PRO A 6 8.831 1.580 1.056 1.00 1.54 C ATOM 78 C PRO A 6 8.110 1.811 -0.268 1.00 2.01 C ATOM 79 O PRO A 6 6.894 2.016 -0.301 1.00 1.95 O ATOM 80 CB PRO A 6 9.119 0.089 1.246 1.00 2.00 C ATOM 81 CG PRO A 6 8.833 -0.180 2.680 1.00 1.83 C ATOM 82 CD PRO A 6 7.726 0.755 3.052 1.00 1.07 C ATOM 83 HA PRO A 6 9.760 2.131 1.056 1.00 1.54 H ATOM 84 HB2 PRO A 6 8.475 -0.488 0.600 1.00 2.42 H ATOM 85 HB3 PRO A 6 10.153 -0.112 1.006 1.00 2.23 H ATOM 86 HG2 PRO A 6 8.519 -1.204 2.808 1.00 2.24 H ATOM 87 HG3 PRO A 6 9.711 0.024 3.274 1.00 2.17 H ATOM 88 HD2 PRO A 6 6.766 0.325 2.813 1.00 0.98 H ATOM 89 HD3 PRO A 6 7.780 1.006 4.101 1.00 1.27 H ATOM 90 N GLY A 7 8.864 1.771 -1.356 1.00 2.70 N ATOM 91 CA GLY A 7 8.290 1.989 -2.667 1.00 3.34 C ATOM 92 C GLY A 7 8.206 0.713 -3.480 1.00 4.03 C ATOM 93 O GLY A 7 7.362 0.592 -4.370 1.00 4.79 O ATOM 94 H GLY A 7 9.829 1.589 -1.269 1.00 2.84 H ATOM 95 HA2 GLY A 7 7.296 2.395 -2.548 1.00 3.07 H ATOM 96 HA3 GLY A 7 8.899 2.704 -3.201 1.00 3.76 H ATOM 97 N GLY A 8 9.067 -0.245 -3.170 1.00 4.04 N ATOM 98 CA GLY A 8 9.054 -1.507 -3.884 1.00 4.78 C ATOM 99 C GLY A 8 8.894 -2.693 -2.956 1.00 4.38 C ATOM 100 O GLY A 8 9.340 -2.652 -1.805 1.00 4.63 O ATOM 101 H GLY A 8 9.705 -0.105 -2.435 1.00 3.73 H ATOM 102 HA2 GLY A 8 8.233 -1.502 -4.587 1.00 5.48 H ATOM 103 HA3 GLY A 8 9.982 -1.612 -4.429 1.00 5.13 H ATOM 104 N GLY A 9 8.270 -3.754 -3.457 1.00 3.95 N ATOM 105 CA GLY A 9 8.070 -4.952 -2.660 1.00 3.48 C ATOM 106 C GLY A 9 7.120 -4.719 -1.504 1.00 2.20 C ATOM 107 O GLY A 9 6.021 -4.192 -1.695 1.00 2.33 O ATOM 108 H GLY A 9 7.932 -3.720 -4.381 1.00 4.09 H ATOM 109 HA2 GLY A 9 7.668 -5.731 -3.293 1.00 3.88 H ATOM 110 HA3 GLY A 9 9.023 -5.274 -2.268 1.00 3.89 H ATOM 111 N GLY A 10 7.547 -5.098 -0.305 1.00 1.34 N ATOM 112 CA GLY A 10 6.748 -4.858 0.880 1.00 0.67 C ATOM 113 C GLY A 10 6.634 -3.378 1.178 1.00 0.58 C ATOM 114 O GLY A 10 7.560 -2.781 1.716 1.00 0.84 O ATOM 115 H GLY A 10 8.434 -5.511 -0.220 1.00 1.76 H ATOM 116 HA2 GLY A 10 5.759 -5.265 0.730 1.00 1.29 H ATOM 117 HA3 GLY A 10 7.209 -5.352 1.723 1.00 1.20 H ATOM 118 N VAL A 11 5.570 -2.762 0.683 1.00 0.40 N ATOM 119 CA VAL A 11 5.425 -1.312 0.736 1.00 0.36 C ATOM 120 C VAL A 11 4.765 -0.829 1.997 1.00 0.46 C ATOM 121 O VAL A 11 4.724 0.383 2.228 1.00 1.11 O ATOM 122 CB VAL A 11 4.605 -0.774 -0.442 1.00 0.43 C ATOM 123 CG1 VAL A 11 5.462 -0.654 -1.689 1.00 0.61 C ATOM 124 CG2 VAL A 11 3.393 -1.655 -0.707 1.00 0.55 C ATOM 125 H VAL A 11 4.931 -3.283 0.149 1.00 0.59 H ATOM 126 HA VAL A 11 6.409 -0.880 0.694 1.00 0.45 H ATOM 127 HB VAL A 11 4.248 0.208 -0.164 1.00 0.46 H ATOM 128 HG11 VAL A 11 5.936 -1.602 -1.892 1.00 1.25 H ATOM 129 HG12 VAL A 11 4.843 -0.375 -2.528 1.00 1.24 H ATOM 130 HG13 VAL A 11 6.221 0.101 -1.533 1.00 1.14 H ATOM 131 HG21 VAL A 11 3.045 -2.075 0.224 1.00 1.19 H ATOM 132 HG22 VAL A 11 2.607 -1.064 -1.150 1.00 1.19 H ATOM 133 HG23 VAL A 11 3.668 -2.452 -1.380 1.00 1.14 H ATOM 134 N CYS A 12 4.112 -1.742 2.696 1.00 0.33 N ATOM 135 CA CYS A 12 3.321 -1.396 3.863 1.00 0.28 C ATOM 136 C CYS A 12 1.984 -0.829 3.400 1.00 0.27 C ATOM 137 O CYS A 12 1.941 0.014 2.504 1.00 0.54 O ATOM 138 CB CYS A 12 4.123 -0.421 4.741 1.00 0.38 C ATOM 139 SG CYS A 12 3.169 0.563 5.909 1.00 0.40 S ATOM 140 H CYS A 12 4.058 -2.644 2.340 1.00 0.80 H ATOM 141 HA CYS A 12 3.139 -2.305 4.418 1.00 0.30 H ATOM 142 HB2 CYS A 12 4.865 -0.980 5.283 1.00 0.48 H ATOM 143 HB3 CYS A 12 4.637 0.266 4.084 1.00 0.44 H HETATM 144 N DBB A 13 0.906 -1.481 3.804 1.00 0.29 N HETATM 145 CA DBB A 13 -0.392 -1.188 3.226 1.00 0.29 C HETATM 146 C DBB A 13 -0.487 -1.815 1.850 1.00 0.29 C HETATM 147 O DBB A 13 -1.101 -1.261 0.947 1.00 0.29 O HETATM 148 CB DBB A 13 -1.564 -1.716 4.082 1.00 0.30 C HETATM 149 CG DBB A 13 -1.288 -1.524 5.563 1.00 0.42 C HETATM 150 H DBB A 13 1.012 -2.288 4.354 1.00 0.55 H HETATM 151 HA DBB A 13 -0.481 -0.111 3.125 1.00 0.30 H HETATM 152 HB2 DBB A 13 -1.666 -2.777 3.892 1.00 0.41 H HETATM 153 HG1 DBB A 13 -0.565 -2.255 5.890 1.00 1.13 H HETATM 154 HG2 DBB A 13 -2.205 -1.648 6.118 1.00 1.03 H HETATM 155 HG3 DBB A 13 -0.896 -0.532 5.731 1.00 0.99 H ATOM 156 N LEU A 14 0.143 -2.967 1.694 1.00 0.32 N ATOM 157 CA LEU A 14 0.175 -3.653 0.425 1.00 0.35 C ATOM 158 C LEU A 14 -1.178 -4.297 0.109 1.00 0.30 C ATOM 159 O LEU A 14 -1.474 -5.416 0.537 1.00 0.38 O ATOM 160 CB LEU A 14 1.288 -4.701 0.448 1.00 0.45 C ATOM 161 CG LEU A 14 1.278 -5.673 -0.720 1.00 0.49 C ATOM 162 CD1 LEU A 14 1.508 -4.944 -2.036 1.00 0.51 C ATOM 163 CD2 LEU A 14 2.322 -6.759 -0.518 1.00 0.63 C ATOM 164 H LEU A 14 0.621 -3.362 2.455 1.00 0.35 H ATOM 165 HA LEU A 14 0.397 -2.925 -0.337 1.00 0.38 H ATOM 166 HB2 LEU A 14 2.237 -4.187 0.456 1.00 0.50 H ATOM 167 HB3 LEU A 14 1.199 -5.271 1.362 1.00 0.47 H ATOM 168 HG LEU A 14 0.309 -6.139 -0.756 1.00 0.44 H ATOM 169 HD11 LEU A 14 1.637 -3.888 -1.847 1.00 1.13 H ATOM 170 HD12 LEU A 14 2.396 -5.336 -2.514 1.00 1.15 H ATOM 171 HD13 LEU A 14 0.658 -5.093 -2.684 1.00 1.08 H ATOM 172 HD21 LEU A 14 3.027 -6.445 0.236 1.00 1.14 H ATOM 173 HD22 LEU A 14 1.838 -7.671 -0.201 1.00 1.25 H ATOM 174 HD23 LEU A 14 2.844 -6.934 -1.448 1.00 1.24 H HETATM 175 N DBB A 15 -2.009 -3.560 -0.613 1.00 0.24 N HETATM 176 CA DBB A 15 -3.323 -4.046 -1.008 1.00 0.31 C HETATM 177 C DBB A 15 -4.414 -3.135 -0.472 1.00 0.21 C HETATM 178 O DBB A 15 -4.119 -2.050 0.040 1.00 0.20 O HETATM 179 CB DBB A 15 -3.444 -4.162 -2.544 1.00 0.52 C HETATM 180 CG DBB A 15 -3.076 -5.576 -2.959 1.00 1.08 C HETATM 181 H DBB A 15 -1.742 -2.648 -0.860 1.00 0.28 H HETATM 182 HA DBB A 15 -3.454 -5.032 -0.584 1.00 0.40 H HETATM 183 HB2 DBB A 15 -4.474 -3.988 -2.822 1.00 0.51 H HETATM 184 HG1 DBB A 15 -2.200 -5.895 -2.413 1.00 1.37 H HETATM 185 HG2 DBB A 15 -2.867 -5.598 -4.020 1.00 1.71 H HETATM 186 HG3 DBB A 15 -3.899 -6.241 -2.742 1.00 1.62 H HETATM 187 N DHA A 16 -5.661 -3.595 -0.562 1.00 0.22 N HETATM 188 CA DHA A 16 -6.716 -2.836 -0.117 1.00 0.26 C HETATM 189 CB DHA A 16 -7.707 -2.531 -0.963 1.00 0.40 C HETATM 190 C DHA A 16 -6.763 -2.371 1.216 1.00 0.25 C HETATM 191 O DHA A 16 -7.450 -1.394 1.523 1.00 0.30 O HETATM 192 H DHA A 16 -5.776 -4.484 -0.972 1.00 0.28 H HETATM 193 HB1 DHA A 16 -7.674 -2.882 -1.983 1.00 0.45 H HETATM 194 HB2 DHA A 16 -8.540 -1.933 -0.624 1.00 0.51 H ATOM 195 N GLU A 17 -5.971 -3.007 2.073 1.00 0.25 N ATOM 196 CA GLU A 17 -5.846 -2.598 3.460 1.00 0.31 C ATOM 197 C GLU A 17 -5.334 -1.159 3.553 1.00 0.28 C ATOM 198 O GLU A 17 -5.727 -0.406 4.446 1.00 0.36 O ATOM 199 CB GLU A 17 -4.901 -3.555 4.198 1.00 0.38 C ATOM 200 CG GLU A 17 -4.672 -3.203 5.660 1.00 0.49 C ATOM 201 CD GLU A 17 -5.928 -3.287 6.502 1.00 1.43 C ATOM 202 OE1 GLU A 17 -6.966 -3.728 5.972 1.00 2.36 O ATOM 203 OE2 GLU A 17 -5.891 -2.911 7.693 1.00 1.79 O ATOM 204 H GLU A 17 -5.419 -3.750 1.744 1.00 0.26 H ATOM 205 HA GLU A 17 -6.824 -2.651 3.913 1.00 0.37 H ATOM 206 HB2 GLU A 17 -5.317 -4.551 4.157 1.00 0.40 H ATOM 207 HB3 GLU A 17 -3.944 -3.555 3.697 1.00 0.40 H ATOM 208 HG2 GLU A 17 -3.941 -3.884 6.069 1.00 0.85 H ATOM 209 HG3 GLU A 17 -4.289 -2.194 5.715 1.00 0.90 H ATOM 210 N CYS A 18 -4.512 -0.758 2.588 1.00 0.21 N ATOM 211 CA CYS A 18 -4.000 0.605 2.552 1.00 0.22 C ATOM 212 C CYS A 18 -3.895 1.134 1.125 1.00 0.24 C ATOM 213 O CYS A 18 -4.648 2.020 0.720 1.00 0.30 O ATOM 214 CB CYS A 18 -2.611 0.686 3.163 1.00 0.23 C ATOM 215 SG CYS A 18 -2.375 -0.229 4.702 1.00 0.27 S ATOM 216 H CYS A 18 -4.291 -1.376 1.857 1.00 0.19 H ATOM 217 HA CYS A 18 -4.672 1.234 3.115 1.00 0.28 H ATOM 218 HB2 CYS A 18 -1.919 0.304 2.437 1.00 0.25 H ATOM 219 HB3 CYS A 18 -2.378 1.720 3.346 1.00 0.29 H ATOM 220 N ILE A 19 -2.794 0.756 0.475 1.00 0.26 N ATOM 221 CA ILE A 19 -2.382 1.363 -0.780 1.00 0.34 C ATOM 222 C ILE A 19 -3.364 1.042 -1.914 1.00 0.40 C ATOM 223 O ILE A 19 -3.527 1.821 -2.855 1.00 0.56 O ATOM 224 CB ILE A 19 -0.936 0.920 -1.155 1.00 0.37 C ATOM 225 CG1 ILE A 19 -0.161 2.059 -1.828 1.00 1.36 C ATOM 226 CG2 ILE A 19 -0.931 -0.322 -2.040 1.00 1.21 C ATOM 227 CD1 ILE A 19 -0.505 2.266 -3.279 1.00 1.88 C ATOM 228 H ILE A 19 -2.157 0.160 0.932 1.00 0.28 H ATOM 229 HA ILE A 19 -2.364 2.424 -0.614 1.00 0.42 H ATOM 230 HB ILE A 19 -0.430 0.662 -0.245 1.00 1.17 H ATOM 231 HG12 ILE A 19 -0.369 2.981 -1.307 1.00 2.01 H ATOM 232 HG13 ILE A 19 0.897 1.847 -1.767 1.00 1.86 H ATOM 233 HG21 ILE A 19 -1.441 -0.106 -2.969 1.00 1.77 H ATOM 234 HG22 ILE A 19 0.089 -0.613 -2.250 1.00 1.82 H ATOM 235 HG23 ILE A 19 -1.438 -1.129 -1.530 1.00 1.59 H ATOM 236 HD11 ILE A 19 -1.007 1.388 -3.650 1.00 2.15 H ATOM 237 HD12 ILE A 19 -1.157 3.122 -3.376 1.00 2.27 H ATOM 238 HD13 ILE A 19 0.397 2.433 -3.844 1.00 2.43 H HETATM 239 N TEE A 20 -4.012 -0.113 -1.816 1.00 0.49 N HETATM 240 CB TEE A 20 -4.695 -1.723 -3.458 1.00 0.68 C HETATM 241 CA TEE A 20 -4.879 -0.490 -2.804 1.00 0.60 C HETATM 242 SG TEE A 20 -4.635 -3.503 -3.735 1.00 0.89 S HETATM 243 HN1 TEE A 20 -3.829 -0.656 -1.016 1.00 0.60 H HETATM 244 HB2 TEE A 20 -4.653 -1.761 -4.537 1.00 1.16 H HETATM 245 HA TEE A 20 -5.124 -1.410 -2.294 1.00 0.52 H TER 246 TEE A 20