HETATM 1 C ACE A 0 -2.027 -4.455 -2.128 1.00 0.57 C HETATM 2 O ACE A 0 -1.426 -5.498 -1.928 1.00 -0.57 O HETATM 3 CH3 ACE A 0 -3.311 -4.198 -1.392 1.00 0.06 C HETATM 4 H1 ACE A 0 -4.128 -4.075 -2.119 1.00 0.00 H HETATM 5 H2 ACE A 0 -3.219 -3.283 -0.788 1.00 0.00 H HETATM 6 H3 ACE A 0 -3.545 -5.046 -0.731 1.00 0.00 H ATOM 7 N LYS A 1 -1.606 -3.506 -2.989 1.00 -0.73 N ATOM 8 CA LYS A 1 -0.405 -3.718 -3.782 1.00 0.36 C ATOM 9 C LYS A 1 0.700 -2.896 -3.161 1.00 0.57 C ATOM 10 O LYS A 1 0.739 -1.694 -3.369 1.00 -0.57 O ATOM 11 CB LYS A 1 -0.703 -3.319 -5.248 1.00 0.00 C ATOM 12 CG LYS A 1 0.168 -4.150 -6.226 1.00 0.00 C ATOM 13 CD LYS A 1 -0.027 -3.664 -7.684 1.00 0.00 C ATOM 14 CE LYS A 1 -1.170 -4.372 -8.464 1.00 0.50 C ATOM 15 NZ LYS A 1 -2.096 -3.432 -9.142 1.00 -0.85 N ATOM 16 H LYS A 1 -2.093 -2.637 -3.092 1.00 0.37 H ATOM 17 HA LYS A 1 -0.131 -4.783 -3.792 1.00 0.00 H ATOM 18 HB2 LYS A 1 -1.759 -3.519 -5.483 1.00 0.00 H ATOM 19 HB3 LYS A 1 -0.533 -2.237 -5.367 1.00 0.00 H ATOM 20 HG2 LYS A 1 1.223 -4.026 -5.938 1.00 0.00 H ATOM 21 HG3 LYS A 1 -0.077 -5.222 -6.153 1.00 0.00 H ATOM 22 HD2 LYS A 1 -0.247 -2.592 -7.634 1.00 0.00 H ATOM 23 HD3 LYS A 1 0.920 -3.801 -8.232 1.00 0.00 H ATOM 24 HE2 LYS A 1 -0.699 -5.017 -9.221 1.00 0.00 H ATOM 25 HE3 LYS A 1 -1.759 -5.027 -7.805 1.00 0.00 H ATOM 26 HZ1 LYS A 1 -2.977 -3.272 -8.538 1.00 0.45 H ATOM 27 HZ2 LYS A 1 -2.422 -3.832 -10.091 1.00 0.45 H ATOM 28 HZ3 LYS A 1 -1.681 -2.460 -9.371 1.00 0.45 H ATOM 29 N PHE A 2 1.613 -3.515 -2.383 1.00 -0.73 N ATOM 30 CA PHE A 2 2.689 -2.745 -1.768 1.00 0.36 C ATOM 31 C PHE A 2 3.888 -2.740 -2.682 1.00 0.57 C ATOM 32 O PHE A 2 4.982 -3.036 -2.227 1.00 -0.57 O ATOM 33 CB PHE A 2 2.980 -3.361 -0.372 1.00 0.14 C ATOM 34 CG PHE A 2 3.748 -2.424 0.571 1.00 -0.14 C ATOM 35 CD1 PHE A 2 3.234 -1.161 0.883 1.00 -0.15 C ATOM 36 CD2 PHE A 2 4.957 -2.827 1.148 1.00 -0.15 C ATOM 37 CE1 PHE A 2 3.943 -0.290 1.712 1.00 -0.15 C ATOM 38 CE2 PHE A 2 5.640 -1.979 2.023 1.00 -0.15 C ATOM 39 CZ PHE A 2 5.140 -0.704 2.297 1.00 -0.15 C ATOM 40 H PHE A 2 1.585 -4.502 -2.224 1.00 0.37 H ATOM 41 HA PHE A 2 2.388 -1.697 -1.642 1.00 0.00 H ATOM 42 HB2 PHE A 2 2.020 -3.568 0.125 1.00 0.00 H ATOM 43 HB3 PHE A 2 3.505 -4.319 -0.503 1.00 0.00 H ATOM 44 HD1 PHE A 2 2.274 -0.841 0.496 1.00 0.15 H ATOM 45 HD2 PHE A 2 5.374 -3.804 0.929 1.00 0.15 H ATOM 46 HE1 PHE A 2 3.559 0.706 1.905 1.00 0.15 H ATOM 47 HE2 PHE A 2 6.559 -2.311 2.493 1.00 0.15 H ATOM 48 HZ PHE A 2 5.678 -0.039 2.963 1.00 0.15 H ATOM 49 N GLU A 3 3.703 -2.404 -3.980 1.00 -0.73 N ATOM 50 CA GLU A 3 4.822 -2.461 -4.907 1.00 0.36 C ATOM 51 C GLU A 3 4.535 -1.578 -6.104 1.00 0.57 C ATOM 52 O GLU A 3 4.537 -2.046 -7.233 1.00 -0.57 O ATOM 53 CB GLU A 3 5.106 -3.948 -5.261 1.00 0.00 C ATOM 54 CG GLU A 3 6.363 -4.091 -6.151 1.00 -0.11 C ATOM 55 CD GLU A 3 7.305 -5.192 -5.755 1.00 0.91 C ATOM 56 OE1 GLU A 3 8.173 -4.928 -4.878 1.00 -0.90 O ATOM 57 OE2 GLU A 3 7.201 -6.308 -6.332 1.00 -0.90 O ATOM 58 H GLU A 3 2.809 -2.142 -4.358 1.00 0.37 H ATOM 59 HA GLU A 3 5.702 -2.040 -4.400 1.00 0.00 H ATOM 60 HB2 GLU A 3 5.287 -4.506 -4.331 1.00 0.00 H ATOM 61 HB3 GLU A 3 4.232 -4.391 -5.764 1.00 0.00 H ATOM 62 HG2 GLU A 3 6.087 -4.180 -7.213 1.00 0.00 H ATOM 63 HG3 GLU A 3 6.955 -3.189 -6.001 1.00 0.00 H ATOM 64 N ASP A 4 4.274 -0.270 -5.863 1.00 -0.73 N ATOM 65 CA ASP A 4 3.885 0.626 -6.951 1.00 0.36 C ATOM 66 C ASP A 4 4.337 2.028 -6.632 1.00 0.57 C ATOM 67 O ASP A 4 4.884 2.222 -5.558 1.00 -0.57 O ATOM 68 CB ASP A 4 2.350 0.599 -7.128 1.00 -0.11 C ATOM 69 CG ASP A 4 1.865 -0.816 -7.225 1.00 0.91 C ATOM 70 OD1 ASP A 4 1.811 -1.510 -6.172 1.00 -0.90 O ATOM 71 OD2 ASP A 4 1.526 -1.233 -8.364 1.00 -0.90 O ATOM 72 H ASP A 4 4.263 0.100 -4.933 1.00 0.37 H ATOM 73 HA ASP A 4 4.363 0.342 -7.896 1.00 0.00 H ATOM 74 HB2 ASP A 4 1.867 1.085 -6.269 1.00 0.00 H ATOM 75 HB3 ASP A 4 2.051 1.130 -8.044 1.00 0.00 H ATOM 76 N TRP A 5 4.119 3.001 -7.545 1.00 -0.73 N ATOM 77 CA TRP A 5 4.486 4.385 -7.263 1.00 0.36 C ATOM 78 C TRP A 5 3.485 5.310 -7.899 1.00 0.57 C ATOM 79 O TRP A 5 2.798 4.873 -8.809 1.00 -0.57 O ATOM 80 CB TRP A 5 5.887 4.701 -7.828 1.00 0.18 C ATOM 81 CG TRP A 5 6.009 4.195 -9.239 1.00 -0.18 C ATOM 82 CD1 TRP A 5 6.523 3.008 -9.589 1.00 -0.30 C ATOM 83 CD2 TRP A 5 5.611 4.876 -10.515 1.00 0.00 C ATOM 84 NE1 TRP A 5 6.490 2.867 -10.889 1.00 0.03 N ATOM 85 CE2 TRP A 5 5.979 3.963 -11.484 1.00 -0.15 C ATOM 86 CE3 TRP A 5 5.031 6.105 -10.836 1.00 -0.15 C ATOM 87 CZ2 TRP A 5 5.833 4.225 -12.842 1.00 -0.15 C ATOM 88 CZ3 TRP A 5 4.880 6.375 -12.197 1.00 -0.15 C ATOM 89 CH2 TRP A 5 5.294 5.471 -13.182 1.00 -0.15 C ATOM 90 H TRP A 5 3.718 2.802 -8.444 1.00 0.37 H ATOM 91 HA TRP A 5 4.473 4.579 -6.179 1.00 0.00 H ATOM 92 HB2 TRP A 5 6.100 5.780 -7.802 1.00 0.00 H ATOM 93 HB3 TRP A 5 6.627 4.185 -7.199 1.00 0.00 H ATOM 94 HD1 TRP A 5 6.885 2.336 -8.823 1.00 0.15 H ATOM 95 HE1 TRP A 5 6.818 2.034 -11.402 1.00 0.27 H ATOM 96 HE3 TRP A 5 4.733 6.798 -10.061 1.00 0.15 H ATOM 97 HZ2 TRP A 5 6.124 3.518 -13.603 1.00 0.15 H ATOM 98 HZ3 TRP A 5 4.444 7.299 -12.534 1.00 0.15 H ATOM 99 HH2 TRP A 5 5.206 5.751 -14.217 1.00 0.15 H ATOM 100 N LEU A 6 3.402 6.574 -7.426 1.00 -0.73 N ATOM 101 CA LEU A 6 2.393 7.495 -7.931 1.00 0.36 C ATOM 102 C LEU A 6 3.055 8.442 -8.899 1.00 0.57 C ATOM 103 O LEU A 6 4.014 9.090 -8.513 1.00 -0.57 O ATOM 104 CB LEU A 6 1.749 8.328 -6.798 1.00 0.00 C ATOM 105 CG LEU A 6 1.067 7.452 -5.704 1.00 0.00 C ATOM 106 CD1 LEU A 6 1.984 7.250 -4.465 1.00 0.00 C ATOM 107 CD2 LEU A 6 -0.277 8.102 -5.284 1.00 0.00 C ATOM 108 H LEU A 6 4.046 6.926 -6.749 1.00 0.37 H ATOM 109 HA LEU A 6 1.571 6.951 -8.412 1.00 0.00 H ATOM 110 HB2 LEU A 6 2.501 8.991 -6.342 1.00 0.00 H ATOM 111 HB3 LEU A 6 0.999 8.967 -7.291 1.00 0.00 H ATOM 112 HG LEU A 6 0.830 6.453 -6.107 1.00 0.00 H ATOM 113 HD11 LEU A 6 1.436 6.734 -3.663 1.00 0.00 H ATOM 114 HD12 LEU A 6 2.337 8.216 -4.075 1.00 0.00 H ATOM 115 HD13 LEU A 6 2.853 6.629 -4.722 1.00 0.00 H ATOM 116 HD21 LEU A 6 -1.012 7.965 -6.093 1.00 0.00 H ATOM 117 HD22 LEU A 6 -0.145 9.179 -5.099 1.00 0.00 H ATOM 118 HD23 LEU A 6 -0.678 7.634 -4.373 1.00 0.00 H ATOM 119 N CYS A 7 2.586 8.527 -10.161 1.00 -0.73 N ATOM 120 CA CYS A 7 3.248 9.410 -11.114 1.00 0.36 C ATOM 121 C CYS A 7 3.311 10.834 -10.627 1.00 0.57 C ATOM 122 O CYS A 7 2.427 11.247 -9.895 1.00 -0.57 O ATOM 123 CB CYS A 7 2.481 9.353 -12.461 1.00 0.05 C ATOM 124 SG CYS A 7 3.211 10.343 -13.797 1.00 -1.05 S ATOM 125 H CYS A 7 1.815 7.964 -10.469 1.00 0.37 H ATOM 126 HA CYS A 7 4.289 9.083 -11.223 1.00 0.00 H ATOM 127 HB2 CYS A 7 2.354 8.320 -12.813 1.00 0.00 H ATOM 128 HB3 CYS A 7 1.490 9.779 -12.294 1.00 0.00 H ATOM 129 N ASN A 8 4.342 11.604 -11.052 1.00 -0.73 N ATOM 130 CA ASN A 8 4.472 12.991 -10.609 1.00 0.36 C ATOM 131 C ASN A 8 3.846 13.939 -11.610 1.00 0.57 C ATOM 132 O ASN A 8 4.279 15.074 -11.729 1.00 -0.57 O ATOM 133 CB ASN A 8 5.977 13.308 -10.370 1.00 0.06 C ATOM 134 CG ASN A 8 6.236 13.897 -9.007 1.00 0.57 C ATOM 135 OD1 ASN A 8 5.781 13.336 -8.023 1.00 -0.57 O ATOM 136 ND2 ASN A 8 6.981 15.013 -8.887 1.00 -0.80 N ATOM 137 H ASN A 8 5.007 11.257 -11.718 1.00 0.37 H ATOM 138 HA ASN A 8 3.925 13.139 -9.666 1.00 0.00 H ATOM 139 HB2 ASN A 8 6.556 12.375 -10.357 1.00 0.00 H ATOM 140 HB3 ASN A 8 6.380 13.925 -11.187 1.00 0.00 H ATOM 141 HD21 ASN A 8 7.364 15.477 -9.685 1.00 0.37 H ATOM 142 HD22 ASN A 8 7.158 15.369 -7.971 1.00 0.37 H ATOM 143 N LYS A 9 2.812 13.473 -12.342 1.00 -0.73 N ATOM 144 CA LYS A 9 2.169 14.276 -13.377 1.00 0.36 C ATOM 145 C LYS A 9 0.673 14.056 -13.328 1.00 0.57 C ATOM 146 O LYS A 9 -0.055 15.033 -13.272 1.00 -0.57 O ATOM 147 CB LYS A 9 2.749 13.861 -14.753 1.00 0.00 C ATOM 148 CG LYS A 9 2.554 14.953 -15.840 1.00 0.00 C ATOM 149 CD LYS A 9 3.922 15.562 -16.238 1.00 0.00 C ATOM 150 CE LYS A 9 3.794 16.627 -17.354 1.00 0.50 C ATOM 151 NZ LYS A 9 3.019 17.817 -16.928 1.00 -0.85 N ATOM 152 H LYS A 9 2.510 12.542 -12.217 1.00 0.37 H ATOM 153 HA LYS A 9 2.367 15.343 -13.191 1.00 0.00 H ATOM 154 HB2 LYS A 9 3.818 13.640 -14.616 1.00 0.00 H ATOM 155 HB3 LYS A 9 2.267 12.933 -15.084 1.00 0.00 H ATOM 156 HG2 LYS A 9 2.101 14.501 -16.736 1.00 0.00 H ATOM 157 HG3 LYS A 9 1.873 15.742 -15.484 1.00 0.00 H ATOM 158 HD2 LYS A 9 4.406 16.008 -15.354 1.00 0.00 H ATOM 159 HD3 LYS A 9 4.571 14.758 -16.620 1.00 0.00 H ATOM 160 HE2 LYS A 9 4.816 16.934 -17.631 1.00 0.00 H ATOM 161 HE3 LYS A 9 3.325 16.172 -18.241 1.00 0.00 H ATOM 162 HZ1 LYS A 9 3.024 17.963 -15.858 1.00 0.45 H ATOM 163 HZ2 LYS A 9 1.990 17.751 -17.251 1.00 0.45 H ATOM 164 HZ3 LYS A 9 3.438 18.714 -17.361 1.00 0.45 H ATOM 165 N CYS A 10 0.196 12.791 -13.333 1.00 -0.73 N ATOM 166 CA CYS A 10 -1.220 12.514 -13.130 1.00 0.36 C ATOM 167 C CYS A 10 -1.502 11.798 -11.821 1.00 0.57 C ATOM 168 O CYS A 10 -2.660 11.506 -11.570 1.00 -0.57 O ATOM 169 CB CYS A 10 -1.677 11.654 -14.324 1.00 0.05 C ATOM 170 SG CYS A 10 -0.795 10.085 -14.260 1.00 -1.05 S ATOM 171 H CYS A 10 0.790 12.006 -13.473 1.00 0.37 H ATOM 172 HA CYS A 10 -1.832 13.427 -13.156 1.00 0.00 H ATOM 173 HB2 CYS A 10 -2.751 11.462 -14.253 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.451 12.142 -15.282 1.00 0.00 H ATOM 175 N CYS A 11 -0.501 11.497 -10.959 1.00 -0.73 N ATOM 176 CA CYS A 11 -0.788 10.844 -9.683 1.00 0.36 C ATOM 177 C CYS A 11 -1.306 9.433 -9.837 1.00 0.57 C ATOM 178 O CYS A 11 -1.880 8.906 -8.898 1.00 -0.57 O ATOM 179 CB CYS A 11 -1.738 11.738 -8.850 1.00 0.23 C ATOM 180 SG CYS A 11 -1.366 11.593 -7.071 1.00 -0.41 S ATOM 181 H CYS A 11 0.454 11.727 -11.132 1.00 0.37 H ATOM 182 HA CYS A 11 0.149 10.756 -9.113 1.00 0.00 H ATOM 183 HB2 CYS A 11 -1.581 12.791 -9.137 1.00 0.00 H ATOM 184 HB3 CYS A 11 -2.790 11.472 -9.026 1.00 0.00 H ATOM 185 HG CYS A 11 -2.033 12.275 -6.745 1.00 0.18 H ATOM 186 N LEU A 12 -1.115 8.799 -11.014 1.00 -0.73 N ATOM 187 CA LEU A 12 -1.649 7.467 -11.236 1.00 0.36 C ATOM 188 C LEU A 12 -0.714 6.442 -10.645 1.00 0.57 C ATOM 189 O LEU A 12 0.482 6.508 -10.890 1.00 -0.57 O ATOM 190 CB LEU A 12 -1.893 7.200 -12.746 1.00 0.00 C ATOM 191 CG LEU A 12 -2.535 5.823 -13.107 1.00 0.00 C ATOM 192 CD1 LEU A 12 -1.510 4.674 -13.277 1.00 0.00 C ATOM 193 CD2 LEU A 12 -3.734 5.394 -12.226 1.00 0.00 C ATOM 194 H LEU A 12 -0.620 9.221 -11.758 1.00 0.37 H ATOM 195 HA LEU A 12 -2.631 7.463 -10.746 1.00 0.00 H ATOM 196 HB2 LEU A 12 -2.572 7.998 -13.087 1.00 0.00 H ATOM 197 HB3 LEU A 12 -0.948 7.301 -13.302 1.00 0.00 H ATOM 198 HG LEU A 12 -2.985 5.946 -14.097 1.00 0.00 H ATOM 199 HD11 LEU A 12 -1.963 3.702 -13.037 1.00 0.00 H ATOM 200 HD12 LEU A 12 -0.651 4.825 -12.616 1.00 0.00 H ATOM 201 HD13 LEU A 12 -1.152 4.628 -14.317 1.00 0.00 H ATOM 202 HD21 LEU A 12 -4.448 4.811 -12.828 1.00 0.00 H ATOM 203 HD22 LEU A 12 -4.261 6.267 -11.827 1.00 0.00 H ATOM 204 HD23 LEU A 12 -3.416 4.757 -11.394 1.00 0.00 H ATOM 205 N ASN A 13 -1.273 5.492 -9.867 1.00 -0.73 N ATOM 206 CA ASN A 13 -0.471 4.421 -9.285 1.00 0.36 C ATOM 207 C ASN A 13 0.047 3.481 -10.352 1.00 0.57 C ATOM 208 O ASN A 13 -0.771 2.799 -10.950 1.00 -0.57 O ATOM 209 CB ASN A 13 -1.275 3.594 -8.236 1.00 0.06 C ATOM 210 CG ASN A 13 -0.565 3.499 -6.910 1.00 0.57 C ATOM 211 OD1 ASN A 13 0.652 3.544 -6.851 1.00 -0.57 O ATOM 212 ND2 ASN A 13 -1.318 3.358 -5.800 1.00 -0.80 N ATOM 213 H ASN A 13 -2.242 5.541 -9.649 1.00 0.37 H ATOM 214 HA ASN A 13 0.347 4.933 -8.772 1.00 0.00 H ATOM 215 HB2 ASN A 13 -2.263 4.039 -8.049 1.00 0.00 H ATOM 216 HB3 ASN A 13 -1.452 2.566 -8.588 1.00 0.00 H ATOM 217 HD21 ASN A 13 -2.315 3.299 -5.840 1.00 0.37 H ATOM 218 HD22 ASN A 13 -0.858 3.311 -4.915 1.00 0.37 H ATOM 219 N ASN A 14 1.373 3.414 -10.605 1.00 -0.73 N ATOM 220 CA ASN A 14 1.904 2.495 -11.609 1.00 0.36 C ATOM 221 C ASN A 14 2.800 1.450 -10.987 1.00 0.57 C ATOM 222 O ASN A 14 3.544 1.769 -10.073 1.00 -0.57 O ATOM 223 CB ASN A 14 2.801 3.236 -12.620 1.00 0.06 C ATOM 224 CG ASN A 14 1.938 3.933 -13.624 1.00 0.57 C ATOM 225 OD1 ASN A 14 1.464 3.310 -14.563 1.00 -0.57 O ATOM 226 ND2 ASN A 14 1.700 5.238 -13.439 1.00 -0.80 N ATOM 227 H ASN A 14 2.026 3.978 -10.092 1.00 0.37 H ATOM 228 HA ASN A 14 1.095 2.029 -12.190 1.00 0.00 H ATOM 229 HB2 ASN A 14 3.403 3.948 -12.049 1.00 0.00 H ATOM 230 HB3 ASN A 14 3.480 2.555 -13.148 1.00 0.00 H ATOM 231 HD21 ASN A 14 2.105 5.776 -12.700 1.00 0.37 H ATOM 232 HD22 ASN A 14 1.053 5.660 -14.053 1.00 0.37 H ATOM 233 N PHE A 15 2.731 0.205 -11.509 1.00 -0.73 N ATOM 234 CA PHE A 15 3.583 -0.881 -11.037 1.00 0.36 C ATOM 235 C PHE A 15 5.025 -0.463 -10.823 1.00 0.57 C ATOM 236 O PHE A 15 5.572 0.275 -11.629 1.00 -0.57 O ATOM 237 CB PHE A 15 3.555 -2.117 -11.992 1.00 0.14 C ATOM 238 CG PHE A 15 3.096 -3.400 -11.278 1.00 -0.14 C ATOM 239 CD1 PHE A 15 3.911 -4.013 -10.322 1.00 -0.15 C ATOM 240 CD2 PHE A 15 1.862 -3.991 -11.572 1.00 -0.15 C ATOM 241 CE1 PHE A 15 3.533 -5.194 -9.687 1.00 -0.15 C ATOM 242 CE2 PHE A 15 1.493 -5.196 -10.968 1.00 -0.15 C ATOM 243 CZ PHE A 15 2.316 -5.791 -10.009 1.00 -0.15 C ATOM 244 H PHE A 15 2.017 -0.020 -12.159 1.00 0.37 H ATOM 245 HA PHE A 15 3.146 -1.195 -10.086 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.898 -1.955 -12.860 1.00 0.00 H ATOM 247 HB3 PHE A 15 4.558 -2.292 -12.408 1.00 0.00 H ATOM 248 HD1 PHE A 15 4.856 -3.587 -10.045 1.00 0.15 H ATOM 249 HD2 PHE A 15 1.179 -3.525 -12.273 1.00 0.15 H ATOM 250 HE1 PHE A 15 4.188 -5.643 -8.946 1.00 0.15 H ATOM 251 HE2 PHE A 15 0.561 -5.675 -11.246 1.00 0.15 H ATOM 252 HZ PHE A 15 2.016 -6.708 -9.516 1.00 0.15 H ATOM 253 N ARG A 16 5.678 -0.957 -9.747 1.00 -0.73 N ATOM 254 CA ARG A 16 7.107 -0.696 -9.556 1.00 0.36 C ATOM 255 C ARG A 16 7.986 -1.300 -10.615 1.00 0.57 C ATOM 256 O ARG A 16 9.054 -0.773 -10.875 1.00 -0.57 O ATOM 257 CB ARG A 16 7.651 -1.212 -8.205 1.00 0.00 C ATOM 258 CG ARG A 16 7.648 -0.135 -7.088 1.00 0.00 C ATOM 259 CD ARG A 16 8.424 -0.622 -5.830 1.00 0.33 C ATOM 260 NE ARG A 16 7.722 -0.398 -4.564 1.00 -0.84 N ATOM 261 CZ ARG A 16 8.073 -0.965 -3.431 1.00 1.20 C ATOM 262 NH1 ARG A 16 9.118 -1.745 -3.304 1.00 -0.97 N ATOM 263 NH2 ARG A 16 7.345 -0.739 -2.366 1.00 -0.97 N ATOM 264 H ARG A 16 5.189 -1.516 -9.073 1.00 0.37 H ATOM 265 HA ARG A 16 7.300 0.369 -9.657 1.00 0.00 H ATOM 266 HB2 ARG A 16 7.048 -2.076 -7.926 1.00 0.00 H ATOM 267 HB3 ARG A 16 8.684 -1.566 -8.337 1.00 0.00 H ATOM 268 HG2 ARG A 16 8.149 0.773 -7.452 1.00 0.00 H ATOM 269 HG3 ARG A 16 6.606 0.119 -6.867 1.00 0.00 H ATOM 270 HD2 ARG A 16 8.628 -1.689 -5.970 1.00 0.00 H ATOM 271 HD3 ARG A 16 9.390 -0.097 -5.783 1.00 0.00 H ATOM 272 HE ARG A 16 6.900 0.222 -4.583 1.00 0.45 H ATOM 273 HH11 ARG A 16 9.743 -1.952 -4.089 1.00 0.45 H ATOM 274 HH12 ARG A 16 9.348 -2.179 -2.400 1.00 0.45 H ATOM 275 HH21 ARG A 16 6.508 -0.141 -2.406 1.00 0.45 H ATOM 276 HH22 ARG A 16 7.580 -1.166 -1.459 1.00 0.45 H ATOM 277 N LYS A 17 7.550 -2.398 -11.248 1.00 -0.73 N ATOM 278 CA LYS A 17 8.325 -2.971 -12.335 1.00 0.36 C ATOM 279 C LYS A 17 8.307 -2.087 -13.550 1.00 0.57 C ATOM 280 O LYS A 17 9.025 -2.398 -14.487 1.00 -0.57 O ATOM 281 CB LYS A 17 7.739 -4.361 -12.705 1.00 0.00 C ATOM 282 CG LYS A 17 8.245 -5.410 -11.685 1.00 0.00 C ATOM 283 CD LYS A 17 9.729 -5.780 -11.974 1.00 0.00 C ATOM 284 CE LYS A 17 9.899 -7.242 -12.453 1.00 0.50 C ATOM 285 NZ LYS A 17 9.226 -7.513 -13.742 1.00 -0.85 N ATOM 286 H LYS A 17 6.674 -2.791 -11.016 1.00 0.37 H ATOM 287 HA LYS A 17 9.375 -3.053 -12.015 1.00 0.00 H ATOM 288 HB2 LYS A 17 6.638 -4.329 -12.705 1.00 0.00 H ATOM 289 HB3 LYS A 17 8.044 -4.667 -13.718 1.00 0.00 H ATOM 290 HG2 LYS A 17 8.149 -4.992 -10.671 1.00 0.00 H ATOM 291 HG3 LYS A 17 7.599 -6.300 -11.724 1.00 0.00 H ATOM 292 HD2 LYS A 17 10.174 -5.135 -12.747 1.00 0.00 H ATOM 293 HD3 LYS A 17 10.314 -5.642 -11.052 1.00 0.00 H ATOM 294 HE2 LYS A 17 10.978 -7.429 -12.581 1.00 0.00 H ATOM 295 HE3 LYS A 17 9.521 -7.924 -11.675 1.00 0.00 H ATOM 296 HZ1 LYS A 17 9.424 -8.533 -14.041 1.00 0.45 H ATOM 297 HZ2 LYS A 17 9.593 -6.863 -14.523 1.00 0.45 H ATOM 298 HZ3 LYS A 17 8.151 -7.415 -13.708 1.00 0.45 H ATOM 299 N ARG A 18 7.512 -0.998 -13.568 1.00 -0.73 N ATOM 300 CA ARG A 18 7.463 -0.163 -14.750 1.00 0.36 C ATOM 301 C ARG A 18 8.438 0.973 -14.584 1.00 0.57 C ATOM 302 O ARG A 18 8.908 1.215 -13.484 1.00 -0.57 O ATOM 303 CB ARG A 18 6.044 0.442 -14.920 1.00 0.00 C ATOM 304 CG ARG A 18 5.352 0.075 -16.257 1.00 0.00 C ATOM 305 CD ARG A 18 4.440 1.222 -16.764 1.00 0.33 C ATOM 306 NE ARG A 18 3.137 0.703 -17.158 1.00 -0.84 N ATOM 307 CZ ARG A 18 2.183 0.419 -16.303 1.00 1.20 C ATOM 308 NH1 ARG A 18 2.333 0.489 -15.008 1.00 -0.97 N ATOM 309 NH2 ARG A 18 1.013 0.045 -16.753 1.00 -0.97 N ATOM 310 H ARG A 18 6.984 -0.691 -12.780 1.00 0.37 H ATOM 311 HA ARG A 18 7.746 -0.748 -15.637 1.00 0.00 H ATOM 312 HB2 ARG A 18 5.377 0.100 -14.118 1.00 0.00 H ATOM 313 HB3 ARG A 18 6.137 1.527 -14.814 1.00 0.00 H ATOM 314 HG2 ARG A 18 6.079 -0.143 -17.054 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.754 -0.835 -16.095 1.00 0.00 H ATOM 316 HD2 ARG A 18 4.303 2.051 -16.054 1.00 0.00 H ATOM 317 HD3 ARG A 18 4.927 1.647 -17.657 1.00 0.00 H ATOM 318 HE ARG A 18 2.962 0.612 -18.169 1.00 0.45 H ATOM 319 HH11 ARG A 18 3.224 0.744 -14.582 1.00 0.45 H ATOM 320 HH12 ARG A 18 1.550 0.284 -14.381 1.00 0.45 H ATOM 321 HH21 ARG A 18 0.831 -0.033 -17.763 1.00 0.45 H ATOM 322 HH22 ARG A 18 0.239 -0.174 -16.111 1.00 0.45 H ATOM 323 N LEU A 19 8.718 1.680 -15.698 1.00 -0.73 N ATOM 324 CA LEU A 19 9.621 2.822 -15.660 1.00 0.36 C ATOM 325 C LEU A 19 8.984 3.987 -16.377 1.00 0.57 C ATOM 326 O LEU A 19 9.705 4.852 -16.841 1.00 -0.57 O ATOM 327 CB LEU A 19 10.917 2.402 -16.394 1.00 0.00 C ATOM 328 CG LEU A 19 11.763 1.370 -15.590 1.00 0.00 C ATOM 329 CD1 LEU A 19 12.460 0.404 -16.584 1.00 0.00 C ATOM 330 CD2 LEU A 19 12.767 2.071 -14.630 1.00 0.00 C ATOM 331 H LEU A 19 8.325 1.426 -16.584 1.00 0.37 H ATOM 332 HA LEU A 19 9.861 3.151 -14.642 1.00 0.00 H ATOM 333 HB2 LEU A 19 10.595 1.971 -17.354 1.00 0.00 H ATOM 334 HB3 LEU A 19 11.541 3.278 -16.622 1.00 0.00 H ATOM 335 HG LEU A 19 11.115 0.737 -14.965 1.00 0.00 H ATOM 336 HD11 LEU A 19 11.724 -0.347 -16.915 1.00 0.00 H ATOM 337 HD12 LEU A 19 13.300 -0.129 -16.117 1.00 0.00 H ATOM 338 HD13 LEU A 19 12.832 0.946 -17.466 1.00 0.00 H ATOM 339 HD21 LEU A 19 12.238 2.406 -13.725 1.00 0.00 H ATOM 340 HD22 LEU A 19 13.251 2.944 -15.094 1.00 0.00 H ATOM 341 HD23 LEU A 19 13.561 1.377 -14.316 1.00 0.00 H ATOM 342 N LYS A 20 7.642 4.052 -16.491 1.00 -0.73 N ATOM 343 CA LYS A 20 7.050 5.172 -17.202 1.00 0.36 C ATOM 344 C LYS A 20 5.559 5.120 -17.062 1.00 0.57 C ATOM 345 O LYS A 20 4.968 4.076 -17.275 1.00 -0.57 O ATOM 346 CB LYS A 20 7.392 5.237 -18.710 1.00 0.00 C ATOM 347 CG LYS A 20 7.053 3.899 -19.418 1.00 0.00 C ATOM 348 CD LYS A 20 8.150 3.537 -20.447 1.00 0.00 C ATOM 349 CE LYS A 20 7.774 2.264 -21.249 1.00 0.50 C ATOM 350 NZ LYS A 20 8.961 1.608 -21.845 1.00 -0.85 N ATOM 351 H LYS A 20 7.018 3.390 -16.082 1.00 0.37 H ATOM 352 HA LYS A 20 7.422 6.060 -16.685 1.00 0.00 H ATOM 353 HB2 LYS A 20 6.826 6.057 -19.180 1.00 0.00 H ATOM 354 HB3 LYS A 20 8.459 5.474 -18.822 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.020 3.075 -18.690 1.00 0.00 H ATOM 356 HG3 LYS A 20 6.066 3.970 -19.904 1.00 0.00 H ATOM 357 HD2 LYS A 20 8.313 4.373 -21.146 1.00 0.00 H ATOM 358 HD3 LYS A 20 9.075 3.358 -19.876 1.00 0.00 H ATOM 359 HE2 LYS A 20 7.266 1.547 -20.584 1.00 0.00 H ATOM 360 HE3 LYS A 20 7.056 2.554 -22.035 1.00 0.00 H ATOM 361 HZ1 LYS A 20 8.830 1.438 -22.904 1.00 0.45 H ATOM 362 HZ2 LYS A 20 9.144 0.644 -21.388 1.00 0.45 H ATOM 363 HZ3 LYS A 20 9.876 2.173 -21.744 1.00 0.45 H ATOM 364 N CYS A 21 4.931 6.239 -16.679 1.00 -0.73 N ATOM 365 CA CYS A 21 3.514 6.183 -16.410 1.00 0.36 C ATOM 366 C CYS A 21 2.744 5.762 -17.634 1.00 0.57 C ATOM 367 O CYS A 21 2.946 6.350 -18.682 1.00 -0.57 O ATOM 368 CB CYS A 21 3.101 7.589 -15.952 1.00 0.05 C ATOM 369 SG CYS A 21 1.341 7.505 -15.662 1.00 -1.05 S ATOM 370 H CYS A 21 5.412 7.112 -16.558 1.00 0.37 H ATOM 371 HA CYS A 21 3.331 5.481 -15.583 1.00 0.00 H ATOM 372 HB2 CYS A 21 3.621 7.849 -15.019 1.00 0.00 H ATOM 373 HB3 CYS A 21 3.290 8.349 -16.724 1.00 0.00 H ATOM 374 N PHE A 22 1.856 4.750 -17.529 1.00 -0.73 N ATOM 375 CA PHE A 22 1.095 4.324 -18.702 1.00 0.36 C ATOM 376 C PHE A 22 -0.078 5.233 -18.977 1.00 0.57 C ATOM 377 O PHE A 22 -0.590 5.240 -20.083 1.00 -0.57 O ATOM 378 CB PHE A 22 0.583 2.892 -18.422 1.00 0.14 C ATOM 379 CG PHE A 22 0.355 2.064 -19.690 1.00 -0.14 C ATOM 380 CD1 PHE A 22 1.423 1.804 -20.554 1.00 -0.15 C ATOM 381 CD2 PHE A 22 -0.909 1.546 -19.987 1.00 -0.15 C ATOM 382 CE1 PHE A 22 1.222 1.077 -21.727 1.00 -0.15 C ATOM 383 CE2 PHE A 22 -1.106 0.795 -21.147 1.00 -0.15 C ATOM 384 CZ PHE A 22 -0.043 0.569 -22.024 1.00 -0.15 C ATOM 385 H PHE A 22 1.677 4.315 -16.642 1.00 0.37 H ATOM 386 HA PHE A 22 1.759 4.326 -19.579 1.00 0.00 H ATOM 387 HB2 PHE A 22 1.375 2.376 -17.875 1.00 0.00 H ATOM 388 HB3 PHE A 22 -0.308 2.925 -17.777 1.00 0.00 H ATOM 389 HD1 PHE A 22 2.420 2.162 -20.322 1.00 0.15 H ATOM 390 HD2 PHE A 22 -1.747 1.720 -19.319 1.00 0.15 H ATOM 391 HE1 PHE A 22 2.049 0.908 -22.409 1.00 0.15 H ATOM 392 HE2 PHE A 22 -2.086 0.387 -21.370 1.00 0.15 H ATOM 393 HZ PHE A 22 -0.200 0.000 -22.934 1.00 0.15 H ATOM 394 N ARG A 23 -0.518 5.996 -17.957 1.00 -0.73 N ATOM 395 CA ARG A 23 -1.647 6.898 -18.116 1.00 0.36 C ATOM 396 C ARG A 23 -1.262 8.117 -18.928 1.00 0.57 C ATOM 397 O ARG A 23 -1.793 8.282 -20.014 1.00 -0.57 O ATOM 398 CB ARG A 23 -2.178 7.310 -16.712 1.00 0.00 C ATOM 399 CG ARG A 23 -3.670 7.728 -16.760 1.00 0.00 C ATOM 400 CD ARG A 23 -4.093 8.792 -15.702 1.00 0.33 C ATOM 401 NE ARG A 23 -4.809 8.286 -14.529 1.00 -0.84 N ATOM 402 CZ ARG A 23 -5.391 9.062 -13.643 1.00 1.20 C ATOM 403 NH1 ARG A 23 -5.398 10.369 -13.717 1.00 -0.97 N ATOM 404 NH2 ARG A 23 -6.011 8.512 -12.630 1.00 -0.97 N ATOM 405 H ARG A 23 -0.094 5.935 -17.064 1.00 0.37 H ATOM 406 HA ARG A 23 -2.445 6.340 -18.631 1.00 0.00 H ATOM 407 HB2 ARG A 23 -2.084 6.440 -16.055 1.00 0.00 H ATOM 408 HB3 ARG A 23 -1.554 8.104 -16.287 1.00 0.00 H ATOM 409 HG2 ARG A 23 -3.841 8.173 -17.751 1.00 0.00 H ATOM 410 HG3 ARG A 23 -4.300 6.827 -16.688 1.00 0.00 H ATOM 411 HD2 ARG A 23 -3.221 9.362 -15.365 1.00 0.00 H ATOM 412 HD3 ARG A 23 -4.768 9.472 -16.242 1.00 0.00 H ATOM 413 HE ARG A 23 -4.858 7.267 -14.412 1.00 0.45 H ATOM 414 HH11 ARG A 23 -4.955 10.868 -14.493 1.00 0.45 H ATOM 415 HH12 ARG A 23 -5.864 10.940 -12.999 1.00 0.45 H ATOM 416 HH21 ARG A 23 -6.074 7.492 -12.533 1.00 0.45 H ATOM 417 HH22 ARG A 23 -6.466 9.085 -11.906 1.00 0.45 H ATOM 418 N CYS A 24 -0.351 8.989 -18.433 1.00 -0.73 N ATOM 419 CA CYS A 24 0.037 10.169 -19.187 1.00 0.36 C ATOM 420 C CYS A 24 1.138 9.799 -20.152 1.00 0.57 C ATOM 421 O CYS A 24 1.346 10.552 -21.091 1.00 -0.57 O ATOM 422 CB CYS A 24 0.394 11.360 -18.249 1.00 0.05 C ATOM 423 SG CYS A 24 1.840 11.138 -17.172 1.00 -1.05 S ATOM 424 H CYS A 24 0.128 8.831 -17.580 1.00 0.37 H ATOM 425 HA CYS A 24 -0.822 10.528 -19.775 1.00 0.00 H ATOM 426 HB2 CYS A 24 0.587 12.263 -18.848 1.00 0.00 H ATOM 427 HB3 CYS A 24 -0.460 11.553 -17.584 1.00 0.00 H ATOM 428 N GLY A 25 1.855 8.664 -19.963 1.00 -0.73 N ATOM 429 CA GLY A 25 2.935 8.319 -20.880 1.00 0.36 C ATOM 430 C GLY A 25 4.258 8.872 -20.405 1.00 0.57 C ATOM 431 O GLY A 25 5.277 8.485 -20.952 1.00 -0.57 O ATOM 432 H GLY A 25 1.733 8.048 -19.183 1.00 0.37 H ATOM 433 HA2 GLY A 25 3.013 7.224 -20.966 1.00 0.00 H ATOM 434 HA3 GLY A 25 2.731 8.699 -21.892 1.00 0.00 H ATOM 435 N ALA A 26 4.273 9.788 -19.411 1.00 -0.73 N ATOM 436 CA ALA A 26 5.514 10.434 -19.008 1.00 0.36 C ATOM 437 C ALA A 26 6.265 9.596 -18.007 1.00 0.57 C ATOM 438 O ALA A 26 5.717 8.656 -17.454 1.00 -0.57 O ATOM 439 CB ALA A 26 5.218 11.821 -18.388 1.00 0.00 C ATOM 440 H ALA A 26 3.451 10.058 -18.927 1.00 0.37 H ATOM 441 HA ALA A 26 6.140 10.592 -19.900 1.00 0.00 H ATOM 442 HB1 ALA A 26 4.514 12.374 -19.028 1.00 0.00 H ATOM 443 HB2 ALA A 26 4.779 11.703 -17.386 1.00 0.00 H ATOM 444 HB3 ALA A 26 6.145 12.406 -18.299 1.00 0.00 H ATOM 445 N ASP A 27 7.548 9.935 -17.767 1.00 -0.73 N ATOM 446 CA ASP A 27 8.343 9.127 -16.855 1.00 0.36 C ATOM 447 C ASP A 27 7.876 9.323 -15.429 1.00 0.57 C ATOM 448 O ASP A 27 7.035 10.172 -15.184 1.00 -0.57 O ATOM 449 CB ASP A 27 9.860 9.400 -16.996 1.00 -0.11 C ATOM 450 CG ASP A 27 10.624 8.131 -16.732 1.00 0.91 C ATOM 451 OD1 ASP A 27 10.652 7.707 -15.542 1.00 -0.90 O ATOM 452 OD2 ASP A 27 11.180 7.549 -17.702 1.00 -0.90 O ATOM 453 H ASP A 27 7.968 10.723 -18.216 1.00 0.37 H ATOM 454 HA ASP A 27 8.192 8.088 -17.162 1.00 0.00 H ATOM 455 HB2 ASP A 27 10.098 9.720 -18.022 1.00 0.00 H ATOM 456 HB3 ASP A 27 10.165 10.192 -16.296 1.00 0.00 H ATOM 457 N LYS A 28 8.427 8.560 -14.463 1.00 -0.73 N ATOM 458 CA LYS A 28 7.976 8.656 -13.078 1.00 0.36 C ATOM 459 C LYS A 28 8.205 10.055 -12.573 1.00 0.57 C ATOM 460 O LYS A 28 7.272 10.683 -12.097 1.00 -0.57 O ATOM 461 CB LYS A 28 8.784 7.704 -12.154 1.00 0.00 C ATOM 462 CG LYS A 28 8.579 6.222 -12.542 1.00 0.00 C ATOM 463 CD LYS A 28 9.705 5.285 -12.036 1.00 0.00 C ATOM 464 CE LYS A 28 9.562 4.853 -10.551 1.00 0.50 C ATOM 465 NZ LYS A 28 10.296 5.692 -9.576 1.00 -0.85 N ATOM 466 H LYS A 28 9.176 7.939 -14.697 1.00 0.37 H ATOM 467 HA LYS A 28 6.904 8.409 -13.015 1.00 0.00 H ATOM 468 HB2 LYS A 28 9.855 7.941 -12.224 1.00 0.00 H ATOM 469 HB3 LYS A 28 8.470 7.848 -11.108 1.00 0.00 H ATOM 470 HG2 LYS A 28 7.618 5.923 -12.124 1.00 0.00 H ATOM 471 HG3 LYS A 28 8.515 6.084 -13.631 1.00 0.00 H ATOM 472 HD2 LYS A 28 9.610 4.364 -12.629 1.00 0.00 H ATOM 473 HD3 LYS A 28 10.700 5.704 -12.254 1.00 0.00 H ATOM 474 HE2 LYS A 28 8.502 4.811 -10.267 1.00 0.00 H ATOM 475 HE3 LYS A 28 9.953 3.824 -10.486 1.00 0.00 H ATOM 476 HZ1 LYS A 28 10.778 5.062 -8.841 1.00 0.45 H ATOM 477 HZ2 LYS A 28 9.626 6.346 -9.037 1.00 0.45 H ATOM 478 HZ3 LYS A 28 11.074 6.303 -10.011 1.00 0.45 H ATOM 479 N PHE A 29 9.460 10.542 -12.688 1.00 -0.73 N ATOM 480 CA PHE A 29 9.791 11.877 -12.206 1.00 0.36 C ATOM 481 C PHE A 29 9.804 12.811 -13.390 1.00 0.57 C ATOM 482 O PHE A 29 10.452 13.840 -13.313 1.00 -0.57 O ATOM 483 CB PHE A 29 11.187 11.837 -11.511 1.00 0.14 C ATOM 484 CG PHE A 29 11.102 12.391 -10.087 1.00 -0.14 C ATOM 485 CD1 PHE A 29 10.536 11.600 -9.084 1.00 -0.15 C ATOM 486 CD2 PHE A 29 11.585 13.665 -9.775 1.00 -0.15 C ATOM 487 CE1 PHE A 29 10.466 12.071 -7.772 1.00 -0.15 C ATOM 488 CE2 PHE A 29 11.519 14.135 -8.461 1.00 -0.15 C ATOM 489 CZ PHE A 29 10.959 13.339 -7.459 1.00 -0.15 C ATOM 490 H PHE A 29 10.170 10.033 -13.175 1.00 0.37 H ATOM 491 HA PHE A 29 9.047 12.246 -11.484 1.00 0.00 H ATOM 492 HB2 PHE A 29 11.542 10.799 -11.413 1.00 0.00 H ATOM 493 HB3 PHE A 29 11.954 12.376 -12.085 1.00 0.00 H ATOM 494 HD1 PHE A 29 10.146 10.615 -9.323 1.00 0.15 H ATOM 495 HD2 PHE A 29 12.014 14.295 -10.546 1.00 0.15 H ATOM 496 HE1 PHE A 29 10.029 11.450 -6.997 1.00 0.15 H ATOM 497 HE2 PHE A 29 11.901 15.121 -8.218 1.00 0.15 H ATOM 498 HZ PHE A 29 10.907 13.704 -6.440 1.00 0.15 H ATOM 499 N ASP A 30 9.140 12.469 -14.515 1.00 -0.73 N ATOM 500 CA ASP A 30 9.210 13.289 -15.721 1.00 0.36 C ATOM 501 C ASP A 30 10.584 13.411 -16.352 1.00 0.57 C ATOM 502 O ASP A 30 10.629 13.596 -17.557 1.00 -0.57 O ATOM 503 CB ASP A 30 8.556 14.665 -15.462 1.00 -0.11 C ATOM 504 CG ASP A 30 8.194 15.344 -16.756 1.00 0.91 C ATOM 505 OD1 ASP A 30 7.301 14.822 -17.476 1.00 -0.90 O ATOM 506 OD2 ASP A 30 8.783 16.419 -17.053 1.00 -0.90 O ATOM 507 H ASP A 30 8.548 11.666 -14.563 1.00 0.37 H ATOM 508 HA ASP A 30 8.588 12.781 -16.477 1.00 0.00 H ATOM 509 HB2 ASP A 30 7.633 14.513 -14.883 1.00 0.00 H ATOM 510 HB3 ASP A 30 9.234 15.311 -14.885 1.00 0.00 H HETATM 511 N NH2 A 31 11.740 13.314 -15.659 1.00 -0.80 N HETATM 512 HN1 NH2 A 31 11.784 13.179 -14.675 1.00 0.37 H HETATM 513 HN2 NH2 A 31 12.600 13.397 -16.162 1.00 0.37 H TER 514 NH2 A 31 HETATM 515 ZN ZN A 32 1.367 9.864 -15.227 1.00 2.00 ZN