ATOM 49 N GLU A 3 4.577 -2.265 -3.736 1.00 -0.73 N ATOM 50 CA GLU A 3 5.516 -2.422 -4.838 1.00 0.36 C ATOM 51 C GLU A 3 4.998 -1.647 -6.037 1.00 0.57 C ATOM 52 O GLU A 3 4.803 -2.215 -7.099 1.00 -0.57 O ATOM 53 CB GLU A 3 5.708 -3.938 -5.144 1.00 0.00 C ATOM 54 CG GLU A 3 6.827 -4.184 -6.190 1.00 -0.11 C ATOM 55 CD GLU A 3 7.746 -5.343 -5.925 1.00 0.91 C ATOM 56 OE1 GLU A 3 8.272 -5.442 -4.785 1.00 -0.90 O ATOM 57 OE2 GLU A 3 7.981 -6.142 -6.874 1.00 -0.90 O ATOM 58 H GLU A 3 3.680 -1.886 -3.962 1.00 0.37 H ATOM 59 HA GLU A 3 6.474 -1.976 -4.531 1.00 0.00 H ATOM 60 HB2 GLU A 3 5.991 -4.473 -4.228 1.00 0.00 H ATOM 61 HB3 GLU A 3 4.755 -4.365 -5.493 1.00 0.00 H ATOM 62 HG2 GLU A 3 6.371 -4.308 -7.185 1.00 0.00 H ATOM 63 HG3 GLU A 3 7.514 -3.329 -6.184 1.00 0.00 H ATOM 64 N ASP A 4 4.754 -0.326 -5.884 1.00 -0.73 N ATOM 65 CA ASP A 4 4.161 0.450 -6.974 1.00 0.36 C ATOM 66 C ASP A 4 4.556 1.898 -6.797 1.00 0.57 C ATOM 67 O ASP A 4 5.232 2.192 -5.823 1.00 -0.57 O ATOM 68 CB ASP A 4 2.623 0.326 -6.932 1.00 -0.11 C ATOM 69 CG ASP A 4 2.165 -1.109 -6.953 1.00 0.91 C ATOM 70 OD1 ASP A 4 2.285 -1.798 -5.899 1.00 -0.90 O ATOM 71 OD2 ASP A 4 1.660 -1.557 -8.019 1.00 -0.90 O ATOM 72 H ASP A 4 4.916 0.142 -5.012 1.00 0.37 H ATOM 73 HA ASP A 4 4.513 0.111 -7.957 1.00 0.00 H ATOM 74 HB2 ASP A 4 2.294 0.836 -6.018 1.00 0.00 H ATOM 75 HB3 ASP A 4 2.164 0.836 -7.789 1.00 0.00 H ATOM 76 N TRP A 5 4.157 2.811 -7.709 1.00 -0.73 N ATOM 77 CA TRP A 5 4.474 4.225 -7.539 1.00 0.36 C ATOM 78 C TRP A 5 3.387 5.068 -8.156 1.00 0.57 C ATOM 79 O TRP A 5 2.570 4.496 -8.860 1.00 -0.57 O ATOM 80 CB TRP A 5 5.830 4.529 -8.213 1.00 0.18 C ATOM 81 CG TRP A 5 5.816 4.064 -9.642 1.00 -0.18 C ATOM 82 CD1 TRP A 5 6.218 2.870 -10.090 1.00 -0.30 C ATOM 83 CD2 TRP A 5 5.365 4.833 -10.850 1.00 0.00 C ATOM 84 NE1 TRP A 5 6.090 2.802 -11.391 1.00 0.03 N ATOM 85 CE2 TRP A 5 5.607 3.959 -11.891 1.00 -0.15 C ATOM 86 CE3 TRP A 5 4.836 6.105 -11.044 1.00 -0.15 C ATOM 87 CZ2 TRP A 5 5.366 4.325 -13.212 1.00 -0.15 C ATOM 88 CZ3 TRP A 5 4.589 6.483 -12.363 1.00 -0.15 C ATOM 89 CH2 TRP A 5 4.907 5.630 -13.426 1.00 -0.15 C ATOM 90 H TRP A 5 3.660 2.542 -8.539 1.00 0.37 H ATOM 91 HA TRP A 5 4.526 4.488 -6.471 1.00 0.00 H ATOM 92 HB2 TRP A 5 6.069 5.601 -8.181 1.00 0.00 H ATOM 93 HB3 TRP A 5 6.612 3.981 -7.668 1.00 0.00 H ATOM 94 HD1 TRP A 5 6.580 2.130 -9.392 1.00 0.15 H ATOM 95 HE1 TRP A 5 6.326 1.973 -11.960 1.00 0.27 H ATOM 96 HE3 TRP A 5 4.651 6.752 -10.207 1.00 0.15 H ATOM 97 HZ2 TRP A 5 5.527 3.649 -14.040 1.00 0.15 H ATOM 98 HZ3 TRP A 5 4.165 7.452 -12.581 1.00 0.15 H ATOM 99 HH2 TRP A 5 4.812 6.004 -14.430 1.00 0.15 H ATOM 100 N LEU A 6 3.376 6.398 -7.885 1.00 -0.73 N ATOM 101 CA LEU A 6 2.317 7.265 -8.393 1.00 0.36 C ATOM 102 C LEU A 6 2.880 8.331 -9.292 1.00 0.57 C ATOM 103 O LEU A 6 3.989 8.787 -9.064 1.00 -0.57 O ATOM 104 CB LEU A 6 1.482 7.851 -7.227 1.00 0.00 C ATOM 105 CG LEU A 6 2.113 9.161 -6.661 1.00 0.00 C ATOM 106 CD1 LEU A 6 1.550 10.442 -7.346 1.00 0.00 C ATOM 107 CD2 LEU A 6 1.977 9.258 -5.123 1.00 0.00 C ATOM 108 H LEU A 6 4.079 6.826 -7.318 1.00 0.37 H ATOM 109 HA LEU A 6 1.650 6.673 -9.017 1.00 0.00 H ATOM 110 HB2 LEU A 6 0.445 8.022 -7.555 1.00 0.00 H ATOM 111 HB3 LEU A 6 1.445 7.064 -6.459 1.00 0.00 H ATOM 112 HG LEU A 6 3.202 9.129 -6.807 1.00 0.00 H ATOM 113 HD11 LEU A 6 2.368 11.032 -7.782 1.00 0.00 H ATOM 114 HD12 LEU A 6 1.017 11.082 -6.627 1.00 0.00 H ATOM 115 HD13 LEU A 6 0.842 10.189 -8.147 1.00 0.00 H ATOM 116 HD21 LEU A 6 2.350 8.336 -4.651 1.00 0.00 H ATOM 117 HD22 LEU A 6 0.929 9.415 -4.829 1.00 0.00 H ATOM 118 HD23 LEU A 6 2.588 10.098 -4.760 1.00 0.00 H ATOM 119 N CYS A 7 2.139 8.721 -10.343 1.00 -0.73 N ATOM 120 CA CYS A 7 2.709 9.665 -11.283 1.00 0.36 C ATOM 121 C CYS A 7 2.563 11.084 -10.800 1.00 0.57 C ATOM 122 O CYS A 7 1.544 11.397 -10.208 1.00 -0.57 O ATOM 123 CB CYS A 7 1.968 9.488 -12.620 1.00 0.05 C ATOM 124 SG CYS A 7 2.725 10.615 -13.794 1.00 -1.05 S ATOM 125 H CYS A 7 1.215 8.366 -10.513 1.00 0.37 H ATOM 126 HA CYS A 7 3.774 9.439 -11.443 1.00 0.00 H ATOM 127 HB2 CYS A 7 2.031 8.454 -12.987 1.00 0.00 H ATOM 128 HB3 CYS A 7 0.919 9.778 -12.519 1.00 0.00 H ATOM 129 N ASN A 8 3.549 11.969 -11.076 1.00 -0.73 N ATOM 130 CA ASN A 8 3.485 13.350 -10.591 1.00 0.36 C ATOM 131 C ASN A 8 2.826 14.256 -11.614 1.00 0.57 C ATOM 132 O ASN A 8 3.110 15.443 -11.644 1.00 -0.57 O ATOM 133 CB ASN A 8 4.917 13.837 -10.219 1.00 0.06 C ATOM 134 CG ASN A 8 4.999 14.269 -8.775 1.00 0.57 C ATOM 135 OD1 ASN A 8 4.278 15.174 -8.386 1.00 -0.57 O ATOM 136 ND2 ASN A 8 5.865 13.655 -7.942 1.00 -0.80 N ATOM 137 H ASN A 8 4.306 11.705 -11.676 1.00 0.37 H ATOM 138 HA ASN A 8 2.863 13.391 -9.684 1.00 0.00 H ATOM 139 HB2 ASN A 8 5.648 13.036 -10.399 1.00 0.00 H ATOM 140 HB3 ASN A 8 5.234 14.686 -10.840 1.00 0.00 H ATOM 141 HD21 ASN A 8 6.464 12.913 -8.244 1.00 0.37 H ATOM 142 HD22 ASN A 8 5.909 13.958 -6.990 1.00 0.37 H ATOM 143 N LYS A 9 1.932 13.709 -12.465 1.00 -0.73 N ATOM 144 CA LYS A 9 1.299 14.487 -13.523 1.00 0.36 C ATOM 145 C LYS A 9 -0.181 14.188 -13.529 1.00 0.57 C ATOM 146 O LYS A 9 -0.974 15.097 -13.346 1.00 -0.57 O ATOM 147 CB LYS A 9 1.930 14.145 -14.906 1.00 0.00 C ATOM 148 CG LYS A 9 2.134 15.425 -15.754 1.00 0.00 C ATOM 149 CD LYS A 9 3.414 16.160 -15.270 1.00 0.00 C ATOM 150 CE LYS A 9 3.353 17.704 -15.407 1.00 0.50 C ATOM 151 NZ LYS A 9 4.064 18.347 -14.281 1.00 -0.85 N ATOM 152 H LYS A 9 1.712 12.747 -12.406 1.00 0.37 H ATOM 153 HA LYS A 9 1.390 15.562 -13.304 1.00 0.00 H ATOM 154 HB2 LYS A 9 2.898 13.638 -14.768 1.00 0.00 H ATOM 155 HB3 LYS A 9 1.280 13.466 -15.478 1.00 0.00 H ATOM 156 HG2 LYS A 9 2.249 15.163 -16.818 1.00 0.00 H ATOM 157 HG3 LYS A 9 1.222 16.034 -15.655 1.00 0.00 H ATOM 158 HD2 LYS A 9 3.586 15.920 -14.212 1.00 0.00 H ATOM 159 HD3 LYS A 9 4.281 15.777 -15.834 1.00 0.00 H ATOM 160 HE2 LYS A 9 3.804 18.000 -16.368 1.00 0.00 H ATOM 161 HE3 LYS A 9 2.315 18.072 -15.391 1.00 0.00 H ATOM 162 HZ1 LYS A 9 4.993 17.850 -14.034 1.00 0.45 H ATOM 163 HZ2 LYS A 9 3.446 18.339 -13.392 1.00 0.45 H ATOM 164 HZ3 LYS A 9 4.302 19.375 -14.510 1.00 0.45 H ATOM 165 N CYS A 10 -0.560 12.910 -13.731 1.00 -0.73 N ATOM 166 CA CYS A 10 -1.967 12.533 -13.698 1.00 0.36 C ATOM 167 C CYS A 10 -2.349 11.858 -12.396 1.00 0.57 C ATOM 168 O CYS A 10 -3.497 11.465 -12.257 1.00 -0.57 O ATOM 169 CB CYS A 10 -2.212 11.599 -14.897 1.00 0.05 C ATOM 170 SG CYS A 10 -1.209 10.107 -14.666 1.00 -1.05 S ATOM 171 H CYS A 10 0.111 12.194 -13.893 1.00 0.37 H ATOM 172 HA CYS A 10 -2.624 13.402 -13.848 1.00 0.00 H ATOM 173 HB2 CYS A 10 -3.281 11.368 -14.963 1.00 0.00 H ATOM 174 HB3 CYS A 10 -1.901 12.087 -15.831 1.00 0.00 H ATOM 175 N CYS A 11 -1.423 11.712 -11.420 1.00 -0.73 N ATOM 176 CA CYS A 11 -1.798 11.163 -10.121 1.00 0.36 C ATOM 177 C CYS A 11 -2.206 9.709 -10.190 1.00 0.57 C ATOM 178 O CYS A 11 -2.854 9.230 -9.273 1.00 -0.57 O ATOM 179 CB CYS A 11 -2.883 12.061 -9.468 1.00 0.23 C ATOM 180 SG CYS A 11 -2.419 12.475 -7.753 1.00 -0.41 S ATOM 181 H CYS A 11 -0.470 11.991 -11.524 1.00 0.37 H ATOM 182 HA CYS A 11 -0.912 11.202 -9.472 1.00 0.00 H ATOM 183 HB2 CYS A 11 -2.961 13.013 -10.017 1.00 0.00 H ATOM 184 HB3 CYS A 11 -3.867 11.569 -9.480 1.00 0.00 H ATOM 185 HG CYS A 11 -3.207 13.068 -7.543 1.00 0.18 H ATOM 186 N LEU A 12 -1.836 8.983 -11.265 1.00 -0.73 N ATOM 187 CA LEU A 12 -2.263 7.598 -11.421 1.00 0.36 C ATOM 188 C LEU A 12 -1.211 6.668 -10.873 1.00 0.57 C ATOM 189 O LEU A 12 -0.033 6.970 -11.005 1.00 -0.57 O ATOM 190 CB LEU A 12 -2.429 7.292 -12.928 1.00 0.00 C ATOM 191 CG LEU A 12 -3.187 5.965 -13.232 1.00 0.00 C ATOM 192 CD1 LEU A 12 -4.728 6.172 -13.275 1.00 0.00 C ATOM 193 CD2 LEU A 12 -2.646 5.236 -14.496 1.00 0.00 C ATOM 194 H LEU A 12 -1.264 9.371 -11.979 1.00 0.37 H ATOM 195 HA LEU A 12 -3.237 7.459 -10.928 1.00 0.00 H ATOM 196 HB2 LEU A 12 -3.002 8.125 -13.336 1.00 0.00 H ATOM 197 HB3 LEU A 12 -1.422 7.316 -13.371 1.00 0.00 H ATOM 198 HG LEU A 12 -3.004 5.267 -12.408 1.00 0.00 H ATOM 199 HD11 LEU A 12 -5.239 5.236 -13.002 1.00 0.00 H ATOM 200 HD12 LEU A 12 -5.063 6.458 -14.279 1.00 0.00 H ATOM 201 HD13 LEU A 12 -5.048 6.955 -12.571 1.00 0.00 H ATOM 202 HD21 LEU A 12 -1.895 5.836 -15.025 1.00 0.00 H ATOM 203 HD22 LEU A 12 -3.454 4.985 -15.199 1.00 0.00 H ATOM 204 HD23 LEU A 12 -2.152 4.295 -14.208 1.00 0.00 H ATOM 205 N ASN A 13 -1.634 5.538 -10.267 1.00 -0.73 N ATOM 206 CA ASN A 13 -0.677 4.569 -9.754 1.00 0.36 C ATOM 207 C ASN A 13 -0.072 3.741 -10.860 1.00 0.57 C ATOM 208 O ASN A 13 -0.627 3.715 -11.946 1.00 -0.57 O ATOM 209 CB ASN A 13 -1.298 3.623 -8.694 1.00 0.06 C ATOM 210 CG ASN A 13 -0.433 3.611 -7.462 1.00 0.57 C ATOM 211 OD1 ASN A 13 0.474 2.799 -7.383 1.00 -0.57 O ATOM 212 ND2 ASN A 13 -0.680 4.507 -6.485 1.00 -0.80 N ATOM 213 H ASN A 13 -2.607 5.337 -10.175 1.00 0.37 H ATOM 214 HA ASN A 13 0.118 5.125 -9.258 1.00 0.00 H ATOM 215 HB2 ASN A 13 -2.306 3.948 -8.399 1.00 0.00 H ATOM 216 HB3 ASN A 13 -1.388 2.604 -9.100 1.00 0.00 H ATOM 217 HD21 ASN A 13 -1.416 5.181 -6.562 1.00 0.37 H ATOM 218 HD22 ASN A 13 -0.109 4.494 -5.665 1.00 0.37 H ATOM 219 N ASN A 14 1.052 3.043 -10.585 1.00 -0.73 N ATOM 220 CA ASN A 14 1.648 2.182 -11.597 1.00 0.36 C ATOM 221 C ASN A 14 2.586 1.164 -10.985 1.00 0.57 C ATOM 222 O ASN A 14 3.248 1.474 -10.008 1.00 -0.57 O ATOM 223 CB ASN A 14 2.487 3.021 -12.583 1.00 0.06 C ATOM 224 CG ASN A 14 1.606 3.612 -13.650 1.00 0.57 C ATOM 225 OD1 ASN A 14 1.041 2.873 -14.441 1.00 -0.57 O ATOM 226 ND2 ASN A 14 1.451 4.945 -13.705 1.00 -0.80 N ATOM 227 H ASN A 14 1.517 3.124 -9.698 1.00 0.37 H ATOM 228 HA ASN A 14 0.839 1.660 -12.131 1.00 0.00 H ATOM 229 HB2 ASN A 14 2.987 3.793 -11.987 1.00 0.00 H ATOM 230 HB3 ASN A 14 3.258 2.405 -13.066 1.00 0.00 H ATOM 231 HD21 ASN A 14 1.934 5.575 -13.098 1.00 0.37 H ATOM 232 HD22 ASN A 14 0.797 5.300 -14.366 1.00 0.37 H ATOM 233 N PHE A 15 2.640 -0.050 -11.577 1.00 -0.73 N ATOM 234 CA PHE A 15 3.501 -1.110 -11.073 1.00 0.36 C ATOM 235 C PHE A 15 4.940 -0.666 -10.909 1.00 0.57 C ATOM 236 O PHE A 15 5.422 0.149 -11.679 1.00 -0.57 O ATOM 237 CB PHE A 15 3.478 -2.378 -11.985 1.00 0.14 C ATOM 238 CG PHE A 15 2.873 -3.581 -11.252 1.00 -0.14 C ATOM 239 CD1 PHE A 15 3.689 -4.415 -10.484 1.00 -0.15 C ATOM 240 CD2 PHE A 15 1.507 -3.864 -11.347 1.00 -0.15 C ATOM 241 CE1 PHE A 15 3.159 -5.533 -9.838 1.00 -0.15 C ATOM 242 CE2 PHE A 15 0.973 -4.985 -10.706 1.00 -0.15 C ATOM 243 CZ PHE A 15 1.798 -5.822 -9.953 1.00 -0.15 C ATOM 244 H PHE A 15 2.026 -0.271 -12.322 1.00 0.37 H ATOM 245 HA PHE A 15 3.086 -1.386 -10.093 1.00 0.00 H ATOM 246 HB2 PHE A 15 2.911 -2.232 -12.918 1.00 0.00 H ATOM 247 HB3 PHE A 15 4.498 -2.639 -12.301 1.00 0.00 H ATOM 248 HD1 PHE A 15 4.745 -4.208 -10.377 1.00 0.15 H ATOM 249 HD2 PHE A 15 0.849 -3.216 -11.917 1.00 0.15 H ATOM 250 HE1 PHE A 15 3.804 -6.173 -9.247 1.00 0.15 H ATOM 251 HE2 PHE A 15 -0.085 -5.208 -10.791 1.00 0.15 H ATOM 252 HZ PHE A 15 1.386 -6.694 -9.457 1.00 0.15 H ATOM 253 N ARG A 16 5.655 -1.233 -9.913 1.00 -0.73 N ATOM 254 CA ARG A 16 7.086 -0.946 -9.760 1.00 0.36 C ATOM 255 C ARG A 16 7.916 -1.498 -10.882 1.00 0.57 C ATOM 256 O ARG A 16 8.936 -0.917 -11.214 1.00 -0.57 O ATOM 257 CB ARG A 16 7.673 -1.488 -8.435 1.00 0.00 C ATOM 258 CG ARG A 16 7.751 -0.392 -7.345 1.00 0.00 C ATOM 259 CD ARG A 16 8.906 0.600 -7.626 1.00 0.33 C ATOM 260 NE ARG A 16 9.938 0.434 -6.609 1.00 -0.84 N ATOM 261 CZ ARG A 16 9.868 0.943 -5.402 1.00 1.20 C ATOM 262 NH1 ARG A 16 8.838 1.622 -4.961 1.00 -0.97 N ATOM 263 NH2 ARG A 16 10.882 0.762 -4.593 1.00 -0.97 N ATOM 264 H ARG A 16 5.202 -1.879 -9.294 1.00 0.37 H ATOM 265 HA ARG A 16 7.257 0.126 -9.821 1.00 0.00 H ATOM 266 HB2 ARG A 16 7.029 -2.304 -8.121 1.00 0.00 H ATOM 267 HB3 ARG A 16 8.674 -1.922 -8.573 1.00 0.00 H ATOM 268 HG2 ARG A 16 6.810 0.166 -7.302 1.00 0.00 H ATOM 269 HG3 ARG A 16 7.913 -0.867 -6.365 1.00 0.00 H ATOM 270 HD2 ARG A 16 9.369 0.374 -8.599 1.00 0.00 H ATOM 271 HD3 ARG A 16 8.552 1.639 -7.702 1.00 0.00 H ATOM 272 HE ARG A 16 10.771 -0.107 -6.887 1.00 0.45 H ATOM 273 HH11 ARG A 16 7.996 1.766 -5.533 1.00 0.45 H ATOM 274 HH12 ARG A 16 8.831 2.015 -4.011 1.00 0.45 H ATOM 275 HH21 ARG A 16 11.712 0.226 -4.886 1.00 0.45 H ATOM 276 HH22 ARG A 16 10.876 1.143 -3.636 1.00 0.45 H ATOM 277 N LYS A 17 7.482 -2.618 -11.482 1.00 -0.73 N ATOM 278 CA LYS A 17 8.202 -3.140 -12.635 1.00 0.36 C ATOM 279 C LYS A 17 8.181 -2.160 -13.780 1.00 0.57 C ATOM 280 O LYS A 17 9.007 -2.291 -14.668 1.00 -0.57 O ATOM 281 CB LYS A 17 7.617 -4.505 -13.113 1.00 0.00 C ATOM 282 CG LYS A 17 8.536 -5.679 -12.691 1.00 0.00 C ATOM 283 CD LYS A 17 8.571 -5.825 -11.144 1.00 0.00 C ATOM 284 CE LYS A 17 9.944 -6.287 -10.589 1.00 0.50 C ATOM 285 NZ LYS A 17 10.192 -7.739 -10.715 1.00 -0.85 N ATOM 286 H LYS A 17 6.658 -3.066 -11.154 1.00 0.37 H ATOM 287 HA LYS A 17 9.262 -3.249 -12.358 1.00 0.00 H ATOM 288 HB2 LYS A 17 6.599 -4.685 -12.733 1.00 0.00 H ATOM 289 HB3 LYS A 17 7.552 -4.507 -14.212 1.00 0.00 H ATOM 290 HG2 LYS A 17 8.164 -6.615 -13.138 1.00 0.00 H ATOM 291 HG3 LYS A 17 9.535 -5.486 -13.109 1.00 0.00 H ATOM 292 HD2 LYS A 17 8.379 -4.853 -10.670 1.00 0.00 H ATOM 293 HD3 LYS A 17 7.763 -6.498 -10.821 1.00 0.00 H ATOM 294 HE2 LYS A 17 10.760 -5.725 -11.074 1.00 0.00 H ATOM 295 HE3 LYS A 17 9.960 -6.025 -9.518 1.00 0.00 H ATOM 296 HZ1 LYS A 17 10.667 -7.992 -11.651 1.00 0.45 H ATOM 297 HZ2 LYS A 17 9.290 -8.326 -10.615 1.00 0.45 H ATOM 298 HZ3 LYS A 17 10.846 -8.062 -9.916 1.00 0.45 H ATOM 299 N ARG A 18 7.251 -1.183 -13.794 1.00 -0.73 N ATOM 300 CA ARG A 18 7.187 -0.279 -14.930 1.00 0.36 C ATOM 301 C ARG A 18 8.225 0.808 -14.806 1.00 0.57 C ATOM 302 O ARG A 18 8.800 0.979 -13.744 1.00 -0.57 O ATOM 303 CB ARG A 18 5.804 0.424 -15.026 1.00 0.00 C ATOM 304 CG ARG A 18 4.992 0.036 -16.288 1.00 0.00 C ATOM 305 CD ARG A 18 4.089 1.207 -16.750 1.00 0.33 C ATOM 306 NE ARG A 18 2.774 0.717 -17.139 1.00 -0.84 N ATOM 307 CZ ARG A 18 1.815 0.466 -16.281 1.00 1.20 C ATOM 308 NH1 ARG A 18 1.990 0.496 -14.987 1.00 -0.97 N ATOM 309 NH2 ARG A 18 0.621 0.167 -16.722 1.00 -0.97 N ATOM 310 H ARG A 18 6.627 -1.038 -13.032 1.00 0.37 H ATOM 311 HA ARG A 18 7.400 -0.851 -15.845 1.00 0.00 H ATOM 312 HB2 ARG A 18 5.168 0.210 -14.159 1.00 0.00 H ATOM 313 HB3 ARG A 18 5.980 1.504 -15.010 1.00 0.00 H ATOM 314 HG2 ARG A 18 5.639 -0.226 -17.141 1.00 0.00 H ATOM 315 HG3 ARG A 18 4.380 -0.847 -16.050 1.00 0.00 H ATOM 316 HD2 ARG A 18 3.976 2.017 -16.012 1.00 0.00 H ATOM 317 HD3 ARG A 18 4.570 1.653 -17.635 1.00 0.00 H ATOM 318 HE ARG A 18 2.589 0.637 -18.147 1.00 0.45 H ATOM 319 HH11 ARG A 18 2.905 0.671 -14.572 1.00 0.45 H ATOM 320 HH12 ARG A 18 1.196 0.355 -14.354 1.00 0.45 H ATOM 321 HH21 ARG A 18 0.422 0.121 -17.730 1.00 0.45 H ATOM 322 HH22 ARG A 18 -0.156 -0.022 -16.073 1.00 0.45 H ATOM 323 N LEU A 19 8.432 1.562 -15.909 1.00 -0.73 N ATOM 324 CA LEU A 19 9.353 2.692 -15.888 1.00 0.36 C ATOM 325 C LEU A 19 8.739 3.872 -16.595 1.00 0.57 C ATOM 326 O LEU A 19 9.479 4.707 -17.082 1.00 -0.57 O ATOM 327 CB LEU A 19 10.649 2.267 -16.626 1.00 0.00 C ATOM 328 CG LEU A 19 11.493 1.251 -15.810 1.00 0.00 C ATOM 329 CD1 LEU A 19 12.426 0.462 -16.760 1.00 0.00 C ATOM 330 CD2 LEU A 19 12.335 1.977 -14.729 1.00 0.00 C ATOM 331 H LEU A 19 7.974 1.353 -16.775 1.00 0.37 H ATOM 332 HA LEU A 19 9.552 3.042 -14.864 1.00 0.00 H ATOM 333 HB2 LEU A 19 10.335 1.823 -17.583 1.00 0.00 H ATOM 334 HB3 LEU A 19 11.294 3.131 -16.850 1.00 0.00 H ATOM 335 HG LEU A 19 10.832 0.518 -15.325 1.00 0.00 H ATOM 336 HD11 LEU A 19 13.069 1.152 -17.327 1.00 0.00 H ATOM 337 HD12 LEU A 19 11.828 -0.132 -17.469 1.00 0.00 H ATOM 338 HD13 LEU A 19 13.059 -0.225 -16.179 1.00 0.00 H ATOM 339 HD21 LEU A 19 12.832 1.236 -14.086 1.00 0.00 H ATOM 340 HD22 LEU A 19 11.712 2.619 -14.090 1.00 0.00 H ATOM 341 HD23 LEU A 19 13.106 2.603 -15.204 1.00 0.00 H ATOM 342 N LYS A 20 7.397 3.987 -16.670 1.00 -0.73 N ATOM 343 CA LYS A 20 6.826 5.132 -17.353 1.00 0.36 C ATOM 344 C LYS A 20 5.334 5.118 -17.200 1.00 0.57 C ATOM 345 O LYS A 20 4.741 4.056 -17.265 1.00 -0.57 O ATOM 346 CB LYS A 20 7.188 5.231 -18.850 1.00 0.00 C ATOM 347 CG LYS A 20 6.830 3.922 -19.592 1.00 0.00 C ATOM 348 CD LYS A 20 7.648 3.839 -20.905 1.00 0.00 C ATOM 349 CE LYS A 20 6.963 2.915 -21.938 1.00 0.50 C ATOM 350 NZ LYS A 20 7.753 2.828 -23.187 1.00 -0.85 N ATOM 351 H LYS A 20 6.762 3.349 -16.245 1.00 0.37 H ATOM 352 HA LYS A 20 7.207 6.003 -16.822 1.00 0.00 H ATOM 353 HB2 LYS A 20 6.631 6.066 -19.303 1.00 0.00 H ATOM 354 HB3 LYS A 20 8.258 5.449 -18.968 1.00 0.00 H ATOM 355 HG2 LYS A 20 7.067 3.036 -18.983 1.00 0.00 H ATOM 356 HG3 LYS A 20 5.749 3.923 -19.796 1.00 0.00 H ATOM 357 HD2 LYS A 20 7.750 4.839 -21.354 1.00 0.00 H ATOM 358 HD3 LYS A 20 8.652 3.454 -20.660 1.00 0.00 H ATOM 359 HE2 LYS A 20 6.834 1.917 -21.487 1.00 0.00 H ATOM 360 HE3 LYS A 20 5.963 3.323 -22.164 1.00 0.00 H ATOM 361 HZ1 LYS A 20 7.262 3.349 -23.998 1.00 0.45 H ATOM 362 HZ2 LYS A 20 7.887 1.801 -23.494 1.00 0.45 H ATOM 363 HZ3 LYS A 20 8.740 3.260 -23.104 1.00 0.45 H ATOM 364 N CYS A 21 4.713 6.283 -16.969 1.00 -0.73 N ATOM 365 CA CYS A 21 3.295 6.265 -16.684 1.00 0.36 C ATOM 366 C CYS A 21 2.529 5.784 -17.889 1.00 0.57 C ATOM 367 O CYS A 21 2.820 6.237 -18.982 1.00 -0.57 O ATOM 368 CB CYS A 21 2.886 7.683 -16.237 1.00 0.05 C ATOM 369 SG CYS A 21 1.205 7.547 -15.617 1.00 -1.05 S ATOM 370 H CYS A 21 5.201 7.160 -16.954 1.00 0.37 H ATOM 371 HA CYS A 21 3.104 5.575 -15.850 1.00 0.00 H ATOM 372 HB2 CYS A 21 3.517 8.039 -15.408 1.00 0.00 H ATOM 373 HB3 CYS A 21 2.938 8.396 -17.071 1.00 0.00 H ATOM 374 N PHE A 22 1.544 4.873 -17.718 1.00 -0.73 N ATOM 375 CA PHE A 22 0.793 4.377 -18.869 1.00 0.36 C ATOM 376 C PHE A 22 -0.433 5.209 -19.153 1.00 0.57 C ATOM 377 O PHE A 22 -1.235 4.808 -19.981 1.00 -0.57 O ATOM 378 CB PHE A 22 0.367 2.921 -18.569 1.00 0.14 C ATOM 379 CG PHE A 22 0.386 2.031 -19.815 1.00 -0.14 C ATOM 380 CD1 PHE A 22 1.598 1.778 -20.467 1.00 -0.15 C ATOM 381 CD2 PHE A 22 -0.790 1.456 -20.303 1.00 -0.15 C ATOM 382 CE1 PHE A 22 1.637 0.949 -21.588 1.00 -0.15 C ATOM 383 CE2 PHE A 22 -0.752 0.626 -21.426 1.00 -0.15 C ATOM 384 CZ PHE A 22 0.461 0.373 -22.069 1.00 -0.15 C ATOM 385 H PHE A 22 1.276 4.563 -16.804 1.00 0.37 H ATOM 386 HA PHE A 22 1.428 4.391 -19.767 1.00 0.00 H ATOM 387 HB2 PHE A 22 1.111 2.503 -17.884 1.00 0.00 H ATOM 388 HB3 PHE A 22 -0.606 2.902 -18.055 1.00 0.00 H ATOM 389 HD1 PHE A 22 2.520 2.226 -20.108 1.00 0.15 H ATOM 390 HD2 PHE A 22 -1.740 1.648 -19.815 1.00 0.15 H ATOM 391 HE1 PHE A 22 2.582 0.752 -22.084 1.00 0.15 H ATOM 392 HE2 PHE A 22 -1.666 0.177 -21.799 1.00 0.15 H ATOM 393 HZ PHE A 22 0.489 -0.270 -22.944 1.00 0.15 H ATOM 394 N ARG A 23 -0.585 6.359 -18.465 1.00 -0.73 N ATOM 395 CA ARG A 23 -1.719 7.243 -18.676 1.00 0.36 C ATOM 396 C ARG A 23 -1.238 8.504 -19.344 1.00 0.57 C ATOM 397 O ARG A 23 -1.759 8.828 -20.399 1.00 -0.57 O ATOM 398 CB ARG A 23 -2.397 7.512 -17.309 1.00 0.00 C ATOM 399 CG ARG A 23 -3.485 8.610 -17.427 1.00 0.00 C ATOM 400 CD ARG A 23 -4.805 8.289 -16.669 1.00 0.33 C ATOM 401 NE ARG A 23 -4.851 8.861 -15.329 1.00 -0.84 N ATOM 402 CZ ARG A 23 -5.943 8.975 -14.609 1.00 1.20 C ATOM 403 NH1 ARG A 23 -7.100 8.504 -14.999 1.00 -0.97 N ATOM 404 NH2 ARG A 23 -5.878 9.581 -13.449 1.00 -0.97 N ATOM 405 H ARG A 23 0.081 6.649 -17.794 1.00 0.37 H ATOM 406 HA ARG A 23 -2.473 6.778 -19.330 1.00 0.00 H ATOM 407 HB2 ARG A 23 -2.832 6.543 -17.039 1.00 0.00 H ATOM 408 HB3 ARG A 23 -1.665 7.800 -16.537 1.00 0.00 H ATOM 409 HG2 ARG A 23 -3.065 9.580 -17.115 1.00 0.00 H ATOM 410 HG3 ARG A 23 -3.756 8.705 -18.488 1.00 0.00 H ATOM 411 HD2 ARG A 23 -5.595 8.770 -17.264 1.00 0.00 H ATOM 412 HD3 ARG A 23 -4.997 7.205 -16.639 1.00 0.00 H ATOM 413 HE ARG A 23 -3.971 9.232 -14.964 1.00 0.45 H ATOM 414 HH11 ARG A 23 -7.204 7.991 -15.882 1.00 0.45 H ATOM 415 HH12 ARG A 23 -7.944 8.624 -14.422 1.00 0.45 H ATOM 416 HH21 ARG A 23 -4.990 9.972 -13.093 1.00 0.45 H ATOM 417 HH22 ARG A 23 -6.715 9.690 -12.859 1.00 0.45 H ATOM 418 N CYS A 24 -0.256 9.222 -18.763 1.00 -0.73 N ATOM 419 CA CYS A 24 0.270 10.405 -19.429 1.00 0.36 C ATOM 420 C CYS A 24 1.589 10.123 -20.121 1.00 0.57 C ATOM 421 O CYS A 24 2.020 10.990 -20.865 1.00 -0.57 O ATOM 422 CB CYS A 24 0.389 11.533 -18.380 1.00 0.05 C ATOM 423 SG CYS A 24 1.743 11.150 -17.268 1.00 -1.05 S ATOM 424 H CYS A 24 0.142 8.962 -17.886 1.00 0.37 H ATOM 425 HA CYS A 24 -0.437 10.793 -20.177 1.00 0.00 H ATOM 426 HB2 CYS A 24 0.599 12.508 -18.843 1.00 0.00 H ATOM 427 HB3 CYS A 24 -0.534 11.597 -17.787 1.00 0.00 H ATOM 428 N GLY A 25 2.270 8.967 -19.917 1.00 -0.73 N ATOM 429 CA GLY A 25 3.564 8.742 -20.560 1.00 0.36 C ATOM 430 C GLY A 25 4.723 9.176 -19.691 1.00 0.57 C ATOM 431 O GLY A 25 5.774 8.555 -19.742 1.00 -0.57 O ATOM 432 H GLY A 25 1.946 8.242 -19.310 1.00 0.37 H ATOM 433 HA2 GLY A 25 3.682 7.673 -20.789 1.00 0.00 H ATOM 434 HA3 GLY A 25 3.630 9.277 -21.520 1.00 0.00 H ATOM 435 N ALA A 26 4.561 10.263 -18.911 1.00 -0.73 N ATOM 436 CA ALA A 26 5.667 10.813 -18.141 1.00 0.36 C ATOM 437 C ALA A 26 6.349 9.777 -17.283 1.00 0.57 C ATOM 438 O ALA A 26 5.714 8.825 -16.857 1.00 -0.57 O ATOM 439 CB ALA A 26 5.233 11.974 -17.210 1.00 0.00 C ATOM 440 H ALA A 26 3.710 10.772 -18.933 1.00 0.37 H ATOM 441 HA ALA A 26 6.376 11.216 -18.882 1.00 0.00 H ATOM 442 HB1 ALA A 26 4.799 11.573 -16.281 1.00 0.00 H ATOM 443 HB2 ALA A 26 6.109 12.589 -16.954 1.00 0.00 H ATOM 444 HB3 ALA A 26 4.489 12.623 -17.696 1.00 0.00 H ATOM 445 N ASP A 27 7.660 9.961 -17.022 1.00 -0.73 N ATOM 446 CA ASP A 27 8.383 8.976 -16.235 1.00 0.36 C ATOM 447 C ASP A 27 8.104 9.135 -14.760 1.00 0.57 C ATOM 448 O ASP A 27 7.860 10.241 -14.304 1.00 -0.57 O ATOM 449 CB ASP A 27 9.902 9.006 -16.525 1.00 -0.11 C ATOM 450 CG ASP A 27 10.526 7.669 -16.231 1.00 0.91 C ATOM 451 OD1 ASP A 27 10.376 7.195 -15.075 1.00 -0.90 O ATOM 452 OD2 ASP A 27 11.169 7.093 -17.149 1.00 -0.90 O ATOM 453 H ASP A 27 8.154 10.753 -17.372 1.00 0.37 H ATOM 454 HA ASP A 27 8.047 8.000 -16.582 1.00 0.00 H ATOM 455 HB2 ASP A 27 10.060 9.222 -17.592 1.00 0.00 H ATOM 456 HB3 ASP A 27 10.388 9.791 -15.926 1.00 0.00 H ATOM 457 N LYS A 28 8.159 8.036 -13.981 1.00 -0.73 N ATOM 458 CA LYS A 28 8.013 8.154 -12.535 1.00 0.36 C ATOM 459 C LYS A 28 9.100 9.000 -11.921 1.00 0.57 C ATOM 460 O LYS A 28 8.892 9.491 -10.823 1.00 -0.57 O ATOM 461 CB LYS A 28 8.033 6.760 -11.862 1.00 0.00 C ATOM 462 CG LYS A 28 9.332 5.940 -12.104 1.00 0.00 C ATOM 463 CD LYS A 28 10.163 5.735 -10.819 1.00 0.00 C ATOM 464 CE LYS A 28 9.496 4.682 -9.898 1.00 0.50 C ATOM 465 NZ LYS A 28 10.041 4.756 -8.527 1.00 -0.85 N ATOM 466 H LYS A 28 8.377 7.144 -14.384 1.00 0.37 H ATOM 467 HA LYS A 28 7.040 8.625 -12.315 1.00 0.00 H ATOM 468 HB2 LYS A 28 7.816 6.898 -10.791 1.00 0.00 H ATOM 469 HB3 LYS A 28 7.213 6.191 -12.307 1.00 0.00 H ATOM 470 HG2 LYS A 28 9.085 4.957 -12.537 1.00 0.00 H ATOM 471 HG3 LYS A 28 9.994 6.459 -12.804 1.00 0.00 H ATOM 472 HD2 LYS A 28 11.168 5.372 -11.088 1.00 0.00 H ATOM 473 HD3 LYS A 28 10.270 6.714 -10.328 1.00 0.00 H ATOM 474 HE2 LYS A 28 8.412 4.849 -9.846 1.00 0.00 H ATOM 475 HE3 LYS A 28 9.662 3.675 -10.314 1.00 0.00 H ATOM 476 HZ1 LYS A 28 10.047 5.771 -8.157 1.00 0.45 H ATOM 477 HZ2 LYS A 28 11.050 4.373 -8.495 1.00 0.45 H ATOM 478 HZ3 LYS A 28 9.423 4.181 -7.854 1.00 0.45 H ATOM 479 N PHE A 29 10.254 9.178 -12.605 1.00 -0.73 N ATOM 480 CA PHE A 29 11.320 10.023 -12.077 1.00 0.36 C ATOM 481 C PHE A 29 11.363 11.332 -12.840 1.00 0.57 C ATOM 482 O PHE A 29 12.401 11.973 -12.887 1.00 -0.57 O ATOM 483 CB PHE A 29 12.661 9.235 -12.166 1.00 0.14 C ATOM 484 CG PHE A 29 13.310 9.018 -10.792 1.00 -0.14 C ATOM 485 CD1 PHE A 29 13.606 10.114 -9.978 1.00 -0.15 C ATOM 486 CD2 PHE A 29 13.621 7.730 -10.347 1.00 -0.15 C ATOM 487 CE1 PHE A 29 14.190 9.924 -8.723 1.00 -0.15 C ATOM 488 CE2 PHE A 29 14.226 7.539 -9.104 1.00 -0.15 C ATOM 489 CZ PHE A 29 14.509 8.637 -8.289 1.00 -0.15 C ATOM 490 H PHE A 29 10.395 8.771 -13.509 1.00 0.37 H ATOM 491 HA PHE A 29 11.132 10.284 -11.025 1.00 0.00 H ATOM 492 HB2 PHE A 29 12.478 8.251 -12.622 1.00 0.00 H ATOM 493 HB3 PHE A 29 13.394 9.750 -12.803 1.00 0.00 H ATOM 494 HD1 PHE A 29 13.385 11.123 -10.315 1.00 0.15 H ATOM 495 HD2 PHE A 29 13.403 6.863 -10.962 1.00 0.15 H ATOM 496 HE1 PHE A 29 14.398 10.779 -8.087 1.00 0.15 H ATOM 497 HE2 PHE A 29 14.480 6.538 -8.772 1.00 0.15 H ATOM 498 HZ PHE A 29 14.977 8.489 -7.322 1.00 0.15 H ATOM 499 N ASP A 30 10.239 11.762 -13.452 1.00 -0.73 N ATOM 500 CA ASP A 30 10.256 13.000 -14.223 1.00 0.36 C ATOM 501 C ASP A 30 10.264 14.175 -13.277 1.00 0.57 C ATOM 502 O ASP A 30 9.217 14.547 -12.773 1.00 -0.57 O ATOM 503 CB ASP A 30 9.013 13.055 -15.141 1.00 -0.11 C ATOM 504 CG ASP A 30 8.960 14.345 -15.911 1.00 0.91 C ATOM 505 OD1 ASP A 30 9.577 14.402 -17.008 1.00 -0.90 O ATOM 506 OD2 ASP A 30 8.294 15.305 -15.439 1.00 -0.90 O ATOM 507 H ASP A 30 9.368 11.272 -13.376 1.00 0.37 H ATOM 508 HA ASP A 30 11.140 13.020 -14.883 1.00 0.00 H ATOM 509 HB2 ASP A 30 9.093 12.220 -15.847 1.00 0.00 H ATOM 510 HB3 ASP A 30 8.084 12.943 -14.562 1.00 0.00 H