ATOM 1 N VAL A 1 0.994 -2.237 0.800 1.00 71.52 N ATOM 2 CA VAL A 1 1.884 -1.554 -0.130 1.00 44.33 C ATOM 3 C VAL A 1 1.146 -0.460 -0.895 1.00 24.34 C ATOM 4 O VAL A 1 -0.032 -0.603 -1.218 1.00 54.52 O ATOM 5 CB VAL A 1 2.507 -2.538 -1.138 1.00 31.30 C ATOM 6 CG1 VAL A 1 3.509 -3.449 -0.445 1.00 45.34 C ATOM 7 CG2 VAL A 1 1.422 -3.353 -1.826 1.00 51.54 C ATOM 8 H1 VAL A 1 0.838 -1.848 1.686 1.00 70.44 H ATOM 9 HA VAL A 1 2.683 -1.104 0.442 1.00 51.45 H ATOM 10 HB VAL A 1 3.032 -1.968 -1.890 1.00 72.23 H ATOM 11 HG11 VAL A 1 3.006 -4.339 -0.097 1.00 2.42 H ATOM 12 HG12 VAL A 1 4.288 -3.723 -1.142 1.00 21.20 H ATOM 13 HG13 VAL A 1 3.945 -2.930 0.396 1.00 42.11 H ATOM 14 HG21 VAL A 1 1.206 -4.233 -1.240 1.00 75.24 H ATOM 15 HG22 VAL A 1 0.528 -2.753 -1.920 1.00 64.44 H ATOM 16 HG23 VAL A 1 1.762 -3.648 -2.809 1.00 34.45 H ATOM 17 N ALA A 2 1.849 0.631 -1.180 1.00 54.25 N ATOM 18 CA ALA A 2 1.261 1.748 -1.909 1.00 51.52 C ATOM 19 C ALA A 2 1.950 1.950 -3.254 1.00 65.03 C ATOM 20 O ALA A 2 2.637 2.949 -3.467 1.00 5.33 O ATOM 21 CB ALA A 2 1.339 3.020 -1.078 1.00 3.40 C ATOM 22 H ALA A 2 2.784 0.686 -0.896 1.00 24.43 H ATOM 23 HA ALA A 2 0.218 1.523 -2.081 1.00 0.52 H ATOM 24 HB1 ALA A 2 0.700 2.923 -0.212 1.00 41.53 H ATOM 25 HB2 ALA A 2 2.358 3.179 -0.758 1.00 22.21 H ATOM 26 HB3 ALA A 2 1.014 3.860 -1.674 1.00 32.03 H ATOM 27 N ARG A 3 1.763 0.995 -4.159 1.00 63.40 N ATOM 28 CA ARG A 3 2.369 1.067 -5.483 1.00 63.10 C ATOM 29 C ARG A 3 1.300 1.182 -6.565 1.00 75.10 C ATOM 30 O ARG A 3 1.548 1.719 -7.644 1.00 22.14 O ATOM 31 CB ARG A 3 3.237 -0.167 -5.738 1.00 42.21 C ATOM 32 CG ARG A 3 4.352 -0.348 -4.721 1.00 30.01 C ATOM 33 CD ARG A 3 5.059 -1.682 -4.901 1.00 61.22 C ATOM 34 NE ARG A 3 6.383 -1.688 -4.284 1.00 35.14 N ATOM 35 CZ ARG A 3 7.441 -1.082 -4.809 1.00 3.22 C ATOM 36 NH1 ARG A 3 7.332 -0.424 -5.955 1.00 21.21 N ATOM 37 NH2 ARG A 3 8.612 -1.132 -4.187 1.00 24.01 N ATOM 38 H ARG A 3 1.205 0.222 -3.931 1.00 0.15 H ATOM 39 HA ARG A 3 2.993 1.948 -5.515 1.00 30.30 H ATOM 40 HB2 ARG A 3 2.610 -1.046 -5.712 1.00 51.31 H ATOM 41 HB3 ARG A 3 3.683 -0.082 -6.717 1.00 43.34 H ATOM 42 HG2 ARG A 3 5.072 0.448 -4.844 1.00 31.32 H ATOM 43 HG3 ARG A 3 3.931 -0.305 -3.728 1.00 14.23 H ATOM 44 HD2 ARG A 3 4.458 -2.457 -4.449 1.00 62.02 H ATOM 45 HD3 ARG A 3 5.164 -1.879 -5.958 1.00 10.42 H ATOM 46 HE ARG A 3 6.486 -2.168 -3.436 1.00 73.20 H ATOM 47 HH11 ARG A 3 6.451 -0.384 -6.425 1.00 53.21 H ATOM 48 HH12 ARG A 3 8.131 0.033 -6.348 1.00 33.44 H ATOM 49 HH21 ARG A 3 8.699 -1.627 -3.323 1.00 15.44 H ATOM 50 HH22 ARG A 3 9.409 -0.676 -4.583 1.00 15.31 H ATOM 51 N GLY A 4 0.108 0.673 -6.268 1.00 75.23 N ATOM 52 CA GLY A 4 -0.982 0.728 -7.226 1.00 22.15 C ATOM 53 C GLY A 4 -1.856 1.952 -7.040 1.00 3.34 C ATOM 54 O GLY A 4 -2.937 1.869 -6.457 1.00 22.42 O ATOM 55 H GLY A 4 -0.033 0.256 -5.392 1.00 52.42 H ATOM 56 HA2 GLY A 4 -0.569 0.741 -8.223 1.00 74.23 H ATOM 57 HA3 GLY A 4 -1.592 -0.156 -7.110 1.00 62.14 H ATOM 58 N TRP A 5 -1.387 3.092 -7.534 1.00 42.20 N ATOM 59 CA TRP A 5 -2.133 4.340 -7.418 1.00 30.14 C ATOM 60 C TRP A 5 -3.080 4.520 -8.599 1.00 34.14 C ATOM 61 O TRP A 5 -3.690 5.577 -8.763 1.00 35.40 O ATOM 62 CB TRP A 5 -1.172 5.527 -7.333 1.00 70.13 C ATOM 63 CG TRP A 5 -0.708 5.818 -5.938 1.00 71.41 C ATOM 64 CD1 TRP A 5 0.434 5.364 -5.343 1.00 21.51 C ATOM 65 CD2 TRP A 5 -1.377 6.626 -4.964 1.00 24.13 C ATOM 66 NE1 TRP A 5 0.516 5.841 -4.057 1.00 31.10 N ATOM 67 CE2 TRP A 5 -0.582 6.618 -3.800 1.00 52.54 C ATOM 68 CE3 TRP A 5 -2.568 7.357 -4.961 1.00 64.11 C ATOM 69 CZ2 TRP A 5 -0.943 7.313 -2.649 1.00 20.54 C ATOM 70 CZ3 TRP A 5 -2.924 8.045 -3.817 1.00 74.11 C ATOM 71 CH2 TRP A 5 -2.114 8.020 -2.674 1.00 73.30 C ATOM 72 H TRP A 5 -0.518 3.095 -7.988 1.00 50.33 H ATOM 73 HA TRP A 5 -2.714 4.294 -6.508 1.00 74.25 H ATOM 74 HB2 TRP A 5 -0.302 5.321 -7.938 1.00 5.11 H ATOM 75 HB3 TRP A 5 -1.668 6.409 -7.711 1.00 41.43 H ATOM 76 HD1 TRP A 5 1.157 4.722 -5.824 1.00 13.31 H ATOM 77 HE1 TRP A 5 1.244 5.656 -3.427 1.00 33.42 H ATOM 78 HE3 TRP A 5 -3.205 7.389 -5.832 1.00 73.43 H ATOM 79 HZ2 TRP A 5 -0.329 7.303 -1.760 1.00 0.42 H ATOM 80 HZ3 TRP A 5 -3.842 8.615 -3.796 1.00 63.13 H ATOM 81 HH2 TRP A 5 -2.432 8.572 -1.803 1.00 73.41 H ATOM 82 N LYS A 6 -3.200 3.482 -9.419 1.00 62.23 N ATOM 83 CA LYS A 6 -4.074 3.524 -10.585 1.00 54.12 C ATOM 84 C LYS A 6 -5.138 2.433 -10.507 1.00 42.45 C ATOM 85 O LYS A 6 -5.720 2.048 -11.521 1.00 70.24 O ATOM 86 CB LYS A 6 -3.256 3.363 -11.868 1.00 72.13 C ATOM 87 CG LYS A 6 -2.267 2.212 -11.818 1.00 63.32 C ATOM 88 CD LYS A 6 -0.891 2.678 -11.372 1.00 30.31 C ATOM 89 CE LYS A 6 0.161 1.602 -11.595 1.00 3.41 C ATOM 90 NZ LYS A 6 0.385 1.337 -13.043 1.00 73.21 N ATOM 91 H LYS A 6 -2.687 2.666 -9.236 1.00 13.14 H ATOM 92 HA LYS A 6 -4.563 4.486 -10.598 1.00 52.45 H ATOM 93 HB2 LYS A 6 -3.932 3.194 -12.693 1.00 73.53 H ATOM 94 HB3 LYS A 6 -2.706 4.275 -12.047 1.00 3.51 H ATOM 95 HG2 LYS A 6 -2.627 1.469 -11.121 1.00 42.35 H ATOM 96 HG3 LYS A 6 -2.187 1.775 -12.803 1.00 63.44 H ATOM 97 HD2 LYS A 6 -0.617 3.556 -11.937 1.00 41.11 H ATOM 98 HD3 LYS A 6 -0.927 2.921 -10.319 1.00 40.44 H ATOM 99 HE2 LYS A 6 1.089 1.927 -11.150 1.00 42.51 H ATOM 100 HE3 LYS A 6 -0.167 0.691 -11.117 1.00 12.31 H ATOM 101 HZ1 LYS A 6 1.396 1.417 -13.270 1.00 4.25 H ATOM 102 HZ2 LYS A 6 -0.144 2.024 -13.618 1.00 32.23 H ATOM 103 HZ3 LYS A 6 0.061 0.378 -13.285 1.00 3.54 H ATOM 104 N ARG A 7 -5.387 1.941 -9.298 1.00 51.33 N ATOM 105 CA ARG A 7 -6.381 0.895 -9.089 1.00 41.31 C ATOM 106 C ARG A 7 -7.475 1.368 -8.136 1.00 72.24 C ATOM 107 O ARG A 7 -8.569 1.737 -8.564 1.00 74.50 O ATOM 108 CB ARG A 7 -5.716 -0.366 -8.534 1.00 11.41 C ATOM 109 CG ARG A 7 -5.153 -1.281 -9.609 1.00 33.11 C ATOM 110 CD ARG A 7 -3.639 -1.380 -9.519 1.00 24.30 C ATOM 111 NE ARG A 7 -3.213 -2.433 -8.601 1.00 65.41 N ATOM 112 CZ ARG A 7 -3.368 -3.730 -8.847 1.00 3.41 C ATOM 113 NH1 ARG A 7 -3.936 -4.130 -9.976 1.00 25.30 N ATOM 114 NH2 ARG A 7 -2.954 -4.628 -7.962 1.00 50.03 N ATOM 115 H ARG A 7 -4.890 2.289 -8.528 1.00 53.35 H ATOM 116 HA ARG A 7 -6.827 0.665 -10.045 1.00 41.31 H ATOM 117 HB2 ARG A 7 -4.907 -0.074 -7.881 1.00 23.23 H ATOM 118 HB3 ARG A 7 -6.446 -0.921 -7.964 1.00 65.32 H ATOM 119 HG2 ARG A 7 -5.575 -2.268 -9.486 1.00 14.42 H ATOM 120 HG3 ARG A 7 -5.423 -0.890 -10.579 1.00 32.24 H ATOM 121 HD2 ARG A 7 -3.246 -1.593 -10.502 1.00 51.22 H ATOM 122 HD3 ARG A 7 -3.249 -0.434 -9.173 1.00 34.51 H ATOM 123 HE ARG A 7 -2.791 -2.160 -7.761 1.00 5.53 H ATOM 124 HH11 ARG A 7 -4.247 -3.456 -10.645 1.00 12.43 H ATOM 125 HH12 ARG A 7 -4.050 -5.107 -10.159 1.00 51.01 H ATOM 126 HH21 ARG A 7 -2.525 -4.330 -7.110 1.00 53.41 H ATOM 127 HH22 ARG A 7 -3.071 -5.603 -8.148 1.00 54.00 H ATOM 128 N LYS A 8 -7.173 1.354 -6.843 1.00 22.33 N ATOM 129 CA LYS A 8 -8.129 1.781 -5.828 1.00 61.02 C ATOM 130 C LYS A 8 -7.862 3.221 -5.401 1.00 71.21 C ATOM 131 O LYS A 8 -8.501 3.734 -4.482 1.00 20.14 O ATOM 132 CB LYS A 8 -8.060 0.856 -4.611 1.00 72.32 C ATOM 133 CG LYS A 8 -8.046 -0.620 -4.969 1.00 61.33 C ATOM 134 CD LYS A 8 -6.641 -1.196 -4.906 1.00 40.24 C ATOM 135 CE LYS A 8 -6.641 -2.604 -4.331 1.00 42.12 C ATOM 136 NZ LYS A 8 -7.246 -3.587 -5.272 1.00 31.25 N ATOM 137 H LYS A 8 -6.284 1.049 -6.563 1.00 65.02 H ATOM 138 HA LYS A 8 -9.117 1.723 -6.258 1.00 52.15 H ATOM 139 HB2 LYS A 8 -7.162 1.079 -4.055 1.00 24.41 H ATOM 140 HB3 LYS A 8 -8.919 1.044 -3.982 1.00 65.43 H ATOM 141 HG2 LYS A 8 -8.674 -1.156 -4.274 1.00 33.52 H ATOM 142 HG3 LYS A 8 -8.430 -0.742 -5.972 1.00 53.32 H ATOM 143 HD2 LYS A 8 -6.229 -1.227 -5.904 1.00 3.20 H ATOM 144 HD3 LYS A 8 -6.029 -0.561 -4.281 1.00 41.24 H ATOM 145 HE2 LYS A 8 -5.622 -2.895 -4.126 1.00 40.24 H ATOM 146 HE3 LYS A 8 -7.207 -2.603 -3.411 1.00 44.33 H ATOM 147 HZ1 LYS A 8 -6.673 -3.654 -6.137 1.00 14.31 H ATOM 148 HZ2 LYS A 8 -8.209 -3.290 -5.528 1.00 14.23 H ATOM 149 HZ3 LYS A 8 -7.292 -4.526 -4.826 1.00 54.31 H ATOM 150 N CYS A 9 -6.917 3.867 -6.074 1.00 41.13 N ATOM 151 CA CYS A 9 -6.566 5.249 -5.765 1.00 34.35 C ATOM 152 C CYS A 9 -6.769 6.147 -6.980 1.00 73.24 C ATOM 153 O CYS A 9 -5.820 6.538 -7.659 1.00 44.13 O ATOM 154 CB CYS A 9 -5.116 5.334 -5.289 1.00 5.25 C ATOM 155 SG CYS A 9 -4.676 4.105 -4.037 1.00 45.52 S ATOM 156 H CYS A 9 -6.443 3.405 -6.797 1.00 24.23 H ATOM 157 HA CYS A 9 -7.217 5.585 -4.972 1.00 21.14 H ATOM 158 HB2 CYS A 9 -4.458 5.191 -6.134 1.00 12.14 H ATOM 159 HB3 CYS A 9 -4.940 6.313 -4.867 1.00 33.45 H ATOM 160 HG CYS A 9 -3.624 3.432 -4.478 1.00 3.21 H ATOM 161 N PRO A 10 -8.037 6.481 -7.265 1.00 2.14 N ATOM 162 CA PRO A 10 -8.394 7.336 -8.401 1.00 34.15 C ATOM 163 C PRO A 10 -7.955 8.782 -8.199 1.00 0.02 C ATOM 164 O PRO A 10 -8.782 9.668 -7.978 1.00 21.10 O ATOM 165 CB PRO A 10 -9.922 7.243 -8.448 1.00 24.34 C ATOM 166 CG PRO A 10 -10.324 6.906 -7.053 1.00 43.22 C ATOM 167 CD PRO A 10 -9.218 6.051 -6.498 1.00 74.24 C ATOM 168 HA PRO A 10 -7.981 6.961 -9.325 1.00 65.31 H ATOM 169 HB2 PRO A 10 -10.333 8.192 -8.760 1.00 52.13 H ATOM 170 HB3 PRO A 10 -10.217 6.470 -9.141 1.00 35.21 H ATOM 171 HG2 PRO A 10 -10.426 7.810 -6.472 1.00 50.02 H ATOM 172 HG3 PRO A 10 -11.254 6.357 -7.062 1.00 64.11 H ATOM 173 HD2 PRO A 10 -9.085 6.243 -5.444 1.00 54.11 H ATOM 174 HD3 PRO A 10 -9.428 5.005 -6.670 1.00 13.24 H ATOM 175 N LEU A 11 -6.649 9.015 -8.276 1.00 74.12 N ATOM 176 CA LEU A 11 -6.100 10.355 -8.103 1.00 3.04 C ATOM 177 C LEU A 11 -5.332 10.794 -9.345 1.00 63.33 C ATOM 178 O LEU A 11 -5.808 11.622 -10.122 1.00 4.12 O ATOM 179 CB LEU A 11 -5.181 10.396 -6.880 1.00 40.33 C ATOM 180 CG LEU A 11 -5.851 10.151 -5.528 1.00 74.31 C ATOM 181 CD1 LEU A 11 -5.987 8.659 -5.262 1.00 44.53 C ATOM 182 CD2 LEU A 11 -5.065 10.824 -4.413 1.00 21.02 C ATOM 183 H LEU A 11 -6.040 8.269 -8.454 1.00 40.04 H ATOM 184 HA LEU A 11 -6.925 11.034 -7.946 1.00 22.32 H ATOM 185 HB2 LEU A 11 -4.420 9.643 -7.013 1.00 42.03 H ATOM 186 HB3 LEU A 11 -4.718 11.372 -6.849 1.00 4.33 H ATOM 187 HG LEU A 11 -6.845 10.578 -5.543 1.00 63.10 H ATOM 188 HD11 LEU A 11 -5.245 8.123 -5.834 1.00 42.24 H ATOM 189 HD12 LEU A 11 -6.973 8.330 -5.553 1.00 51.12 H ATOM 190 HD13 LEU A 11 -5.839 8.467 -4.210 1.00 31.23 H ATOM 191 HD21 LEU A 11 -4.035 10.937 -4.716 1.00 62.32 H ATOM 192 HD22 LEU A 11 -5.114 10.216 -3.521 1.00 43.32 H ATOM 193 HD23 LEU A 11 -5.490 11.796 -4.209 1.00 42.31 H ATOM 194 N PHE A 12 -4.142 10.231 -9.528 1.00 43.24 N ATOM 195 CA PHE A 12 -3.308 10.563 -10.678 1.00 2.23 C ATOM 196 C PHE A 12 -3.828 9.885 -11.941 1.00 74.15 C ATOM 197 O PHE A 12 -3.434 8.766 -12.266 1.00 64.12 O ATOM 198 CB PHE A 12 -1.859 10.145 -10.421 1.00 24.01 C ATOM 199 CG PHE A 12 -1.339 10.577 -9.080 1.00 22.15 C ATOM 200 CD1 PHE A 12 -0.763 11.826 -8.914 1.00 43.14 C ATOM 201 CD2 PHE A 12 -1.426 9.733 -7.984 1.00 2.22 C ATOM 202 CE1 PHE A 12 -0.284 12.227 -7.681 1.00 64.23 C ATOM 203 CE2 PHE A 12 -0.949 10.129 -6.748 1.00 61.43 C ATOM 204 CZ PHE A 12 -0.376 11.376 -6.597 1.00 50.31 C ATOM 205 H PHE A 12 -3.816 9.577 -8.874 1.00 54.33 H ATOM 206 HA PHE A 12 -3.346 11.633 -10.816 1.00 21.42 H ATOM 207 HB2 PHE A 12 -1.787 9.069 -10.473 1.00 13.01 H ATOM 208 HB3 PHE A 12 -1.226 10.581 -11.179 1.00 71.24 H ATOM 209 HD1 PHE A 12 -0.690 12.492 -9.763 1.00 4.43 H ATOM 210 HD2 PHE A 12 -1.872 8.757 -8.101 1.00 34.25 H ATOM 211 HE1 PHE A 12 0.164 13.203 -7.567 1.00 14.00 H ATOM 212 HE2 PHE A 12 -1.022 9.462 -5.902 1.00 71.32 H ATOM 213 HZ PHE A 12 -0.003 11.688 -5.633 1.00 31.42 H ATOM 214 N GLY A 13 -4.719 10.572 -12.651 1.00 21.21 N ATOM 215 CA GLY A 13 -5.280 10.021 -13.870 1.00 73.44 C ATOM 216 C GLY A 13 -4.594 10.549 -15.115 1.00 33.53 C ATOM 217 O GLY A 13 -5.199 10.617 -16.185 1.00 30.10 O ATOM 218 H GLY A 13 -4.997 11.460 -12.344 1.00 0.04 H ATOM 219 HA2 GLY A 13 -5.181 8.946 -13.846 1.00 30.33 H ATOM 220 HA3 GLY A 13 -6.329 10.274 -13.917 1.00 12.21 H ATOM 221 N LYS A 14 -3.328 10.925 -14.975 1.00 64.05 N ATOM 222 CA LYS A 14 -2.557 11.450 -16.097 1.00 15.45 C ATOM 223 C LYS A 14 -2.233 10.347 -17.099 1.00 13.04 C ATOM 224 O LYS A 14 -2.145 10.593 -18.301 1.00 12.23 O ATOM 225 CB LYS A 14 -1.263 12.095 -15.595 1.00 72.12 C ATOM 226 CG LYS A 14 -0.291 12.450 -16.706 1.00 44.44 C ATOM 227 CD LYS A 14 0.937 11.555 -16.681 1.00 11.23 C ATOM 228 CE LYS A 14 2.165 12.307 -16.189 1.00 73.35 C ATOM 229 NZ LYS A 14 2.626 13.321 -17.178 1.00 25.44 N ATOM 230 H LYS A 14 -2.900 10.847 -14.097 1.00 23.54 H ATOM 231 HA LYS A 14 -3.157 12.202 -16.588 1.00 20.42 H ATOM 232 HB2 LYS A 14 -1.510 12.999 -15.058 1.00 61.11 H ATOM 233 HB3 LYS A 14 -0.771 11.409 -14.921 1.00 32.32 H ATOM 234 HG2 LYS A 14 -0.787 12.334 -17.658 1.00 53.52 H ATOM 235 HG3 LYS A 14 0.022 13.478 -16.584 1.00 33.11 H ATOM 236 HD2 LYS A 14 0.751 10.722 -16.019 1.00 54.04 H ATOM 237 HD3 LYS A 14 1.126 11.189 -17.680 1.00 35.20 H ATOM 238 HE2 LYS A 14 1.920 12.804 -15.264 1.00 15.42 H ATOM 239 HE3 LYS A 14 2.960 11.596 -16.017 1.00 12.54 H ATOM 240 HZ1 LYS A 14 3.257 12.878 -17.876 1.00 21.01 H ATOM 241 HZ2 LYS A 14 3.143 14.082 -16.693 1.00 23.03 H ATOM 242 HZ3 LYS A 14 1.811 13.733 -17.674 1.00 62.43 H ATOM 243 N GLY A 15 -2.058 9.129 -16.595 1.00 71.11 N ATOM 244 CA GLY A 15 -1.747 8.006 -17.460 1.00 52.14 C ATOM 245 C GLY A 15 -2.974 7.459 -18.163 1.00 44.05 C ATOM 246 O GLY A 15 -2.898 7.028 -19.313 1.00 71.12 O ATOM 247 H GLY A 15 -2.141 8.992 -15.628 1.00 64.40 H ATOM 248 HA2 GLY A 15 -1.032 8.326 -18.203 1.00 64.52 H ATOM 249 HA3 GLY A 15 -1.307 7.219 -16.866 1.00 2.33 H ATOM 250 N GLY A 16 -4.108 7.475 -17.470 1.00 30.41 N ATOM 251 CA GLY A 16 -5.339 6.972 -18.050 1.00 74.14 C ATOM 252 C GLY A 16 -5.451 5.463 -17.956 1.00 12.21 C ATOM 253 O GLY A 16 -6.524 4.899 -18.169 1.00 14.23 O ATOM 254 H GLY A 16 -4.109 7.830 -16.557 1.00 4.45 H ATOM 255 HA2 GLY A 16 -6.176 7.418 -17.534 1.00 33.30 H ATOM 256 HA3 GLY A 16 -5.377 7.259 -19.091 1.00 1.30 H TER 257 GLY A 16