ATOM 45 N ASP A 5 -8.045 0.559 -0.227 1.00 0.20 N ATOM 46 CA ASP A 5 -6.969 -0.236 -0.790 1.00 0.25 C ATOM 47 C ASP A 5 -7.214 -0.556 -2.258 1.00 0.23 C ATOM 48 O ASP A 5 -8.239 -1.131 -2.622 1.00 0.26 O ATOM 49 CB ASP A 5 -6.799 -1.529 0.003 1.00 0.32 C ATOM 50 CG ASP A 5 -8.028 -2.416 -0.063 1.00 0.40 C ATOM 51 OD1 ASP A 5 -8.162 -3.171 -1.048 1.00 1.24 O ATOM 52 OD2 ASP A 5 -8.855 -2.354 0.870 1.00 1.11 O ATOM 53 H ASP A 5 -8.944 0.185 -0.193 1.00 0.23 H ATOM 54 HA ASP A 5 -6.065 0.342 -0.713 1.00 0.33 H ATOM 55 HB2 ASP A 5 -5.958 -2.080 -0.390 1.00 0.30 H ATOM 56 HB3 ASP A 5 -6.612 -1.282 1.035 1.00 0.38 H ATOM 57 N TYR A 6 -6.252 -0.184 -3.090 1.00 0.19 N ATOM 58 CA TYR A 6 -6.335 -0.430 -4.523 1.00 0.20 C ATOM 59 C TYR A 6 -6.052 -1.898 -4.851 1.00 0.19 C ATOM 60 O TYR A 6 -6.188 -2.320 -5.999 1.00 0.23 O ATOM 61 CB TYR A 6 -5.344 0.468 -5.269 1.00 0.20 C ATOM 62 CG TYR A 6 -5.937 1.148 -6.481 1.00 0.41 C ATOM 63 CD1 TYR A 6 -6.133 0.449 -7.665 1.00 1.37 C ATOM 64 CD2 TYR A 6 -6.302 2.487 -6.441 1.00 1.24 C ATOM 65 CE1 TYR A 6 -6.676 1.066 -8.776 1.00 1.54 C ATOM 66 CE2 TYR A 6 -6.846 3.112 -7.548 1.00 1.33 C ATOM 67 CZ TYR A 6 -7.030 2.397 -8.712 1.00 0.94 C ATOM 68 OH TYR A 6 -7.572 3.016 -9.816 1.00 1.21 O ATOM 69 H TYR A 6 -5.461 0.265 -2.727 1.00 0.18 H ATOM 70 HA TYR A 6 -7.337 -0.189 -4.844 1.00 0.23 H ATOM 71 HB2 TYR A 6 -4.993 1.238 -4.598 1.00 0.30 H ATOM 72 HB3 TYR A 6 -4.504 -0.126 -5.598 1.00 0.25 H ATOM 73 HD1 TYR A 6 -5.855 -0.594 -7.712 1.00 2.21 H ATOM 74 HD2 TYR A 6 -6.155 3.044 -5.528 1.00 2.12 H ATOM 75 HE1 TYR A 6 -6.821 0.506 -9.688 1.00 2.44 H ATOM 76 HE2 TYR A 6 -7.122 4.155 -7.497 1.00 2.18 H ATOM 77 HH TYR A 6 -8.442 3.356 -9.597 1.00 1.49 H ATOM 78 N LEU A 7 -5.655 -2.673 -3.841 1.00 0.18 N ATOM 79 CA LEU A 7 -5.353 -4.088 -4.039 1.00 0.19 C ATOM 80 C LEU A 7 -5.690 -4.896 -2.791 1.00 0.20 C ATOM 81 O LEU A 7 -6.068 -4.331 -1.764 1.00 0.20 O ATOM 82 CB LEU A 7 -3.878 -4.264 -4.401 1.00 0.18 C ATOM 83 CG LEU A 7 -3.569 -4.122 -5.890 1.00 0.21 C ATOM 84 CD1 LEU A 7 -2.171 -3.569 -6.089 1.00 0.24 C ATOM 85 CD2 LEU A 7 -3.722 -5.456 -6.605 1.00 0.21 C ATOM 86 H LEU A 7 -5.561 -2.286 -2.944 1.00 0.19 H ATOM 87 HA LEU A 7 -5.961 -4.444 -4.858 1.00 0.21 H ATOM 88 HB2 LEU A 7 -3.306 -3.532 -3.859 1.00 0.17 H ATOM 89 HB3 LEU A 7 -3.557 -5.232 -4.082 1.00 0.18 H ATOM 90 HG LEU A 7 -4.271 -3.430 -6.327 1.00 0.24 H ATOM 91 HD11 LEU A 7 -1.786 -3.899 -7.042 1.00 1.03 H ATOM 92 HD12 LEU A 7 -1.529 -3.927 -5.298 1.00 1.07 H ATOM 93 HD13 LEU A 7 -2.204 -2.490 -6.066 1.00 1.01 H ATOM 94 HD21 LEU A 7 -3.641 -6.258 -5.892 1.00 1.04 H ATOM 95 HD22 LEU A 7 -2.947 -5.557 -7.350 1.00 1.02 H ATOM 96 HD23 LEU A 7 -4.689 -5.497 -7.085 1.00 1.01 H ATOM 97 N PRO A 8 -5.550 -6.232 -2.852 1.00 0.21 N ATOM 98 CA PRO A 8 -5.830 -7.101 -1.724 1.00 0.23 C ATOM 99 C PRO A 8 -4.646 -7.202 -0.777 1.00 0.21 C ATOM 100 O PRO A 8 -3.538 -6.768 -1.089 1.00 0.18 O ATOM 101 CB PRO A 8 -6.137 -8.434 -2.375 1.00 0.26 C ATOM 102 CG PRO A 8 -5.260 -8.458 -3.565 1.00 0.25 C ATOM 103 CD PRO A 8 -5.082 -7.019 -4.013 1.00 0.22 C ATOM 104 HA PRO A 8 -6.695 -6.760 -1.173 1.00 0.25 H ATOM 105 HB2 PRO A 8 -5.904 -9.237 -1.690 1.00 0.26 H ATOM 106 HB3 PRO A 8 -7.180 -8.475 -2.651 1.00 0.29 H ATOM 107 HG2 PRO A 8 -4.306 -8.882 -3.287 1.00 0.23 H ATOM 108 HG3 PRO A 8 -5.722 -9.042 -4.338 1.00 0.28 H ATOM 109 HD2 PRO A 8 -4.047 -6.833 -4.208 1.00 0.20 H ATOM 110 HD3 PRO A 8 -5.665 -6.804 -4.895 1.00 0.23 H ATOM 111 N LYS A 9 -4.907 -7.762 0.383 1.00 0.23 N ATOM 112 CA LYS A 9 -3.891 -7.922 1.422 1.00 0.23 C ATOM 113 C LYS A 9 -2.633 -8.612 0.895 1.00 0.22 C ATOM 114 O LYS A 9 -1.555 -8.476 1.475 1.00 0.22 O ATOM 115 CB LYS A 9 -4.463 -8.719 2.596 1.00 0.26 C ATOM 116 CG LYS A 9 -5.813 -8.208 3.077 1.00 0.30 C ATOM 117 CD LYS A 9 -5.724 -7.626 4.479 1.00 1.00 C ATOM 118 CE LYS A 9 -6.816 -6.597 4.725 1.00 1.48 C ATOM 119 NZ LYS A 9 -6.884 -5.586 3.634 1.00 2.12 N ATOM 120 H LYS A 9 -5.815 -8.080 0.546 1.00 0.25 H ATOM 121 HA LYS A 9 -3.623 -6.937 1.772 1.00 0.22 H ATOM 122 HB2 LYS A 9 -4.580 -9.749 2.292 1.00 0.28 H ATOM 123 HB3 LYS A 9 -3.768 -8.673 3.421 1.00 0.27 H ATOM 124 HG2 LYS A 9 -6.158 -7.440 2.401 1.00 0.86 H ATOM 125 HG3 LYS A 9 -6.516 -9.028 3.081 1.00 0.79 H ATOM 126 HD2 LYS A 9 -5.828 -8.425 5.197 1.00 1.52 H ATOM 127 HD3 LYS A 9 -4.761 -7.152 4.601 1.00 1.72 H ATOM 128 HE2 LYS A 9 -7.765 -7.107 4.790 1.00 2.03 H ATOM 129 HE3 LYS A 9 -6.614 -6.093 5.659 1.00 1.89 H ATOM 130 HZ1 LYS A 9 -7.509 -5.922 2.874 1.00 2.47 H ATOM 131 HZ2 LYS A 9 -5.936 -5.421 3.239 1.00 2.52 H ATOM 132 HZ3 LYS A 9 -7.254 -4.687 4.002 1.00 2.60 H ATOM 133 N SER A 10 -2.774 -9.362 -0.192 1.00 0.22 N ATOM 134 CA SER A 10 -1.644 -10.080 -0.773 1.00 0.23 C ATOM 135 C SER A 10 -0.743 -9.160 -1.597 1.00 0.22 C ATOM 136 O SER A 10 0.416 -9.488 -1.851 1.00 0.24 O ATOM 137 CB SER A 10 -2.147 -11.230 -1.648 1.00 0.27 C ATOM 138 OG SER A 10 -2.668 -12.284 -0.858 1.00 1.24 O ATOM 139 H SER A 10 -3.657 -9.445 -0.606 1.00 0.23 H ATOM 140 HA SER A 10 -1.065 -10.492 0.039 1.00 0.23 H ATOM 141 HB2 SER A 10 -2.928 -10.867 -2.301 1.00 1.04 H ATOM 142 HB3 SER A 10 -1.330 -11.611 -2.243 1.00 0.97 H ATOM 143 HG SER A 10 -3.625 -12.219 -0.826 1.00 1.69 H ATOM 144 N GLU A 11 -1.274 -8.020 -2.029 1.00 0.23 N ATOM 145 CA GLU A 11 -0.502 -7.084 -2.837 1.00 0.26 C ATOM 146 C GLU A 11 0.048 -5.945 -2.001 1.00 0.26 C ATOM 147 O GLU A 11 1.163 -5.473 -2.223 1.00 0.30 O ATOM 148 CB GLU A 11 -1.403 -6.501 -3.916 1.00 0.31 C ATOM 149 CG GLU A 11 -1.159 -7.061 -5.306 1.00 0.38 C ATOM 150 CD GLU A 11 -0.506 -6.057 -6.235 1.00 0.53 C ATOM 151 OE1 GLU A 11 0.268 -5.209 -5.743 1.00 1.16 O ATOM 152 OE2 GLU A 11 -0.767 -6.119 -7.455 1.00 1.31 O ATOM 153 H GLU A 11 -2.208 -7.804 -1.813 1.00 0.22 H ATOM 154 HA GLU A 11 0.314 -7.618 -3.294 1.00 0.28 H ATOM 155 HB2 GLU A 11 -2.421 -6.712 -3.646 1.00 0.26 H ATOM 156 HB3 GLU A 11 -1.266 -5.428 -3.944 1.00 0.38 H ATOM 157 HG2 GLU A 11 -0.516 -7.926 -5.224 1.00 0.38 H ATOM 158 HG3 GLU A 11 -2.111 -7.358 -5.728 1.00 0.38 H ATOM 159 N CYS A 12 -0.753 -5.498 -1.056 1.00 0.26 N ATOM 160 CA CYS A 12 -0.371 -4.399 -0.197 1.00 0.30 C ATOM 161 C CYS A 12 0.172 -4.915 1.122 1.00 0.24 C ATOM 162 O CYS A 12 -0.573 -5.400 1.974 1.00 0.28 O ATOM 163 CB CYS A 12 -1.571 -3.490 0.018 1.00 0.46 C ATOM 164 SG CYS A 12 -1.730 -2.186 -1.223 1.00 0.80 S ATOM 165 H CYS A 12 -1.635 -5.909 -0.943 1.00 0.24 H ATOM 166 HA CYS A 12 0.406 -3.842 -0.699 1.00 0.35 H ATOM 167 HB2 CYS A 12 -2.469 -4.081 -0.031 1.00 0.48 H ATOM 168 HB3 CYS A 12 -1.501 -3.007 0.989 1.00 0.45 H ATOM 169 N THR A 13 1.483 -4.817 1.273 1.00 0.22 N ATOM 170 CA THR A 13 2.153 -5.280 2.473 1.00 0.20 C ATOM 171 C THR A 13 2.852 -4.123 3.169 1.00 0.22 C ATOM 172 O THR A 13 3.392 -3.234 2.513 1.00 0.23 O ATOM 173 CB THR A 13 3.165 -6.375 2.108 1.00 0.19 C ATOM 174 OG1 THR A 13 3.927 -5.997 0.977 1.00 0.19 O ATOM 175 CG2 THR A 13 2.515 -7.704 1.784 1.00 0.21 C ATOM 176 H THR A 13 2.018 -4.424 0.549 1.00 0.28 H ATOM 177 HA THR A 13 1.409 -5.693 3.137 1.00 0.25 H ATOM 178 HB THR A 13 3.847 -6.524 2.936 1.00 0.24 H ATOM 179 HG1 THR A 13 4.852 -5.926 1.223 1.00 0.78 H ATOM 180 HG21 THR A 13 1.734 -7.908 2.502 1.00 1.03 H ATOM 181 HG22 THR A 13 3.256 -8.488 1.825 1.00 1.04 H ATOM 182 HG23 THR A 13 2.087 -7.664 0.788 1.00 1.04 H ATOM 183 N GLN A 14 2.854 -4.139 4.500 1.00 0.29 N ATOM 184 CA GLN A 14 3.512 -3.086 5.270 1.00 0.33 C ATOM 185 C GLN A 14 4.910 -2.840 4.714 1.00 0.28 C ATOM 186 O GLN A 14 5.433 -1.727 4.767 1.00 0.31 O ATOM 187 CB GLN A 14 3.576 -3.468 6.749 1.00 0.42 C ATOM 188 CG GLN A 14 2.251 -3.976 7.301 1.00 0.72 C ATOM 189 CD GLN A 14 1.096 -3.033 7.013 1.00 0.88 C ATOM 190 OE1 GLN A 14 0.902 -2.042 7.718 1.00 1.81 O ATOM 191 NE2 GLN A 14 0.318 -3.336 5.975 1.00 0.77 N ATOM 192 H GLN A 14 2.416 -4.877 4.972 1.00 0.34 H ATOM 193 HA GLN A 14 2.934 -2.181 5.161 1.00 0.35 H ATOM 194 HB2 GLN A 14 4.317 -4.244 6.877 1.00 0.67 H ATOM 195 HB3 GLN A 14 3.872 -2.602 7.321 1.00 0.49 H ATOM 196 HG2 GLN A 14 2.032 -4.935 6.857 1.00 1.40 H ATOM 197 HG3 GLN A 14 2.344 -4.090 8.372 1.00 1.41 H ATOM 198 HE21 GLN A 14 0.526 -4.140 5.455 1.00 0.91 H ATOM 199 HE22 GLN A 14 -0.434 -2.740 5.772 1.00 1.26 H ATOM 200 N PHE A 15 5.484 -3.893 4.144 1.00 0.25 N ATOM 201 CA PHE A 15 6.796 -3.823 3.527 1.00 0.26 C ATOM 202 C PHE A 15 6.798 -2.822 2.377 1.00 0.22 C ATOM 203 O PHE A 15 7.759 -2.080 2.182 1.00 0.24 O ATOM 204 CB PHE A 15 7.189 -5.210 3.018 1.00 0.29 C ATOM 205 CG PHE A 15 8.157 -5.928 3.911 1.00 0.37 C ATOM 206 CD1 PHE A 15 9.513 -5.653 3.839 1.00 1.14 C ATOM 207 CD2 PHE A 15 7.716 -6.875 4.820 1.00 1.25 C ATOM 208 CE1 PHE A 15 10.412 -6.308 4.656 1.00 1.17 C ATOM 209 CE2 PHE A 15 8.611 -7.535 5.642 1.00 1.29 C ATOM 210 CZ PHE A 15 9.961 -7.251 5.559 1.00 0.52 C ATOM 211 H PHE A 15 4.997 -4.742 4.115 1.00 0.26 H ATOM 212 HA PHE A 15 7.505 -3.505 4.276 1.00 0.31 H ATOM 213 HB2 PHE A 15 6.298 -5.818 2.948 1.00 0.27 H ATOM 214 HB3 PHE A 15 7.626 -5.122 2.039 1.00 0.29 H ATOM 215 HD1 PHE A 15 9.866 -4.915 3.133 1.00 2.00 H ATOM 216 HD2 PHE A 15 6.661 -7.098 4.884 1.00 2.10 H ATOM 217 HE1 PHE A 15 11.466 -6.083 4.588 1.00 2.01 H ATOM 218 HE2 PHE A 15 8.256 -8.272 6.346 1.00 2.15 H ATOM 219 HZ PHE A 15 10.662 -7.765 6.200 1.00 0.58 H ATOM 220 N ARG A 16 5.708 -2.813 1.619 1.00 0.19 N ATOM 221 CA ARG A 16 5.563 -1.914 0.480 1.00 0.20 C ATOM 222 C ARG A 16 5.717 -0.459 0.892 1.00 0.17 C ATOM 223 O ARG A 16 6.410 0.305 0.229 1.00 0.19 O ATOM 224 CB ARG A 16 4.206 -2.128 -0.187 1.00 0.32 C ATOM 225 CG ARG A 16 3.951 -3.565 -0.589 1.00 0.24 C ATOM 226 CD ARG A 16 4.896 -4.020 -1.691 1.00 0.40 C ATOM 227 NE ARG A 16 5.849 -5.021 -1.215 1.00 0.78 N ATOM 228 CZ ARG A 16 6.494 -5.870 -2.013 1.00 0.89 C ATOM 229 NH1 ARG A 16 6.301 -5.837 -3.326 1.00 1.49 N ATOM 230 NH2 ARG A 16 7.337 -6.753 -1.497 1.00 1.39 N ATOM 231 H ARG A 16 4.979 -3.431 1.831 1.00 0.18 H ATOM 232 HA ARG A 16 6.341 -2.148 -0.228 1.00 0.26 H ATOM 233 HB2 ARG A 16 3.428 -1.828 0.497 1.00 0.54 H ATOM 234 HB3 ARG A 16 4.148 -1.519 -1.070 1.00 0.47 H ATOM 235 HG2 ARG A 16 4.093 -4.194 0.273 1.00 0.23 H ATOM 236 HG3 ARG A 16 2.933 -3.651 -0.939 1.00 0.37 H ATOM 237 HD2 ARG A 16 4.313 -4.447 -2.492 1.00 0.87 H ATOM 238 HD3 ARG A 16 5.441 -3.163 -2.060 1.00 0.69 H ATOM 239 HE ARG A 16 6.016 -5.064 -0.251 1.00 1.52 H ATOM 240 HH11 ARG A 16 5.669 -5.172 -3.723 1.00 1.80 H ATOM 241 HH12 ARG A 16 6.788 -6.478 -3.919 1.00 1.98 H ATOM 242 HH21 ARG A 16 7.489 -6.782 -0.509 1.00 1.96 H ATOM 243 HH22 ARG A 16 7.821 -7.392 -2.095 1.00 1.54 H ATOM 244 N CYS A 17 5.070 -0.071 1.981 1.00 0.24 N ATOM 245 CA CYS A 17 5.160 1.307 2.440 1.00 0.33 C ATOM 246 C CYS A 17 6.571 1.630 2.916 1.00 0.34 C ATOM 247 O CYS A 17 7.004 2.780 2.872 1.00 0.45 O ATOM 248 CB CYS A 17 4.157 1.585 3.558 1.00 0.48 C ATOM 249 SG CYS A 17 2.471 1.952 2.974 1.00 0.58 S ATOM 250 H CYS A 17 4.523 -0.715 2.477 1.00 0.27 H ATOM 251 HA CYS A 17 4.931 1.938 1.601 1.00 0.36 H ATOM 252 HB2 CYS A 17 4.100 0.724 4.206 1.00 0.92 H ATOM 253 HB3 CYS A 17 4.500 2.436 4.126 1.00 0.83 H ATOM 254 N ARG A 18 7.277 0.609 3.380 1.00 0.30 N ATOM 255 CA ARG A 18 8.639 0.786 3.875 1.00 0.40 C ATOM 256 C ARG A 18 9.599 1.205 2.788 1.00 0.41 C ATOM 257 O ARG A 18 10.412 2.113 2.958 1.00 0.51 O ATOM 258 CB ARG A 18 9.173 -0.534 4.434 1.00 0.45 C ATOM 259 CG ARG A 18 9.718 -0.426 5.848 1.00 0.60 C ATOM 260 CD ARG A 18 9.715 -1.774 6.550 1.00 1.08 C ATOM 261 NE ARG A 18 9.449 -1.647 7.980 1.00 1.48 N ATOM 262 CZ ARG A 18 9.052 -2.655 8.753 1.00 2.14 C ATOM 263 NH1 ARG A 18 8.875 -3.865 8.238 1.00 2.62 N ATOM 264 NH2 ARG A 18 8.832 -2.454 10.045 1.00 2.87 N ATOM 265 H ARG A 18 6.869 -0.282 3.401 1.00 0.26 H ATOM 266 HA ARG A 18 8.636 1.517 4.647 1.00 0.48 H ATOM 267 HB2 ARG A 18 8.377 -1.263 4.430 1.00 0.57 H ATOM 268 HB3 ARG A 18 9.982 -0.884 3.780 1.00 0.57 H ATOM 269 HG2 ARG A 18 10.732 -0.056 5.806 1.00 1.04 H ATOM 270 HG3 ARG A 18 9.104 0.263 6.409 1.00 1.01 H ATOM 271 HD2 ARG A 18 8.951 -2.395 6.106 1.00 1.66 H ATOM 272 HD3 ARG A 18 10.680 -2.239 6.412 1.00 1.70 H ATOM 273 HE ARG A 18 9.573 -0.763 8.387 1.00 1.87 H ATOM 274 HH11 ARG A 18 9.040 -4.024 7.265 1.00 2.57 H ATOM 275 HH12 ARG A 18 8.577 -4.618 8.824 1.00 3.34 H ATOM 276 HH21 ARG A 18 8.965 -1.544 10.439 1.00 3.09 H ATOM 277 HH22 ARG A 18 8.534 -3.211 10.625 1.00 3.44 H ATOM 278 N THR A 19 9.551 0.460 1.713 1.00 0.36 N ATOM 279 CA THR A 19 10.465 0.649 0.614 1.00 0.41 C ATOM 280 C THR A 19 9.781 1.066 -0.691 1.00 0.38 C ATOM 281 O THR A 19 10.370 1.779 -1.504 1.00 0.59 O ATOM 282 CB THR A 19 11.218 -0.663 0.480 1.00 0.48 C ATOM 283 OG1 THR A 19 12.032 -0.690 -0.678 1.00 0.56 O ATOM 284 CG2 THR A 19 10.293 -1.858 0.451 1.00 0.46 C ATOM 285 H THR A 19 8.919 -0.287 1.682 1.00 0.31 H ATOM 286 HA THR A 19 11.168 1.417 0.896 1.00 0.48 H ATOM 287 HB THR A 19 11.842 -0.776 1.363 1.00 0.55 H ATOM 288 HG1 THR A 19 12.633 0.059 -0.664 1.00 1.06 H ATOM 289 HG21 THR A 19 9.774 -1.920 1.402 1.00 1.13 H ATOM 290 HG22 THR A 19 10.867 -2.758 0.292 1.00 1.04 H ATOM 291 HG23 THR A 19 9.574 -1.738 -0.344 1.00 1.15 H ATOM 292 N SER A 20 8.548 0.616 -0.893 1.00 0.33 N ATOM 293 CA SER A 20 7.803 0.943 -2.110 1.00 0.32 C ATOM 294 C SER A 20 6.981 2.219 -1.936 1.00 0.28 C ATOM 295 O SER A 20 6.039 2.261 -1.146 1.00 0.42 O ATOM 296 CB SER A 20 6.886 -0.220 -2.497 1.00 0.35 C ATOM 297 OG SER A 20 7.411 -0.937 -3.600 1.00 0.73 O ATOM 298 H SER A 20 8.130 0.045 -0.215 1.00 0.47 H ATOM 299 HA SER A 20 8.520 1.099 -2.902 1.00 0.40 H ATOM 300 HB2 SER A 20 6.790 -0.893 -1.660 1.00 0.64 H ATOM 301 HB3 SER A 20 5.913 0.164 -2.764 1.00 0.58 H ATOM 302 HG SER A 20 7.496 -0.349 -4.354 1.00 0.97 H ATOM 303 N MET A 21 7.345 3.257 -2.684 1.00 0.27 N ATOM 304 CA MET A 21 6.646 4.537 -2.617 1.00 0.25 C ATOM 305 C MET A 21 5.336 4.502 -3.400 1.00 0.25 C ATOM 306 O MET A 21 4.314 5.014 -2.943 1.00 0.38 O ATOM 307 CB MET A 21 7.544 5.654 -3.156 1.00 0.35 C ATOM 308 CG MET A 21 8.231 6.462 -2.066 1.00 0.42 C ATOM 309 SD MET A 21 10.024 6.517 -2.262 1.00 0.95 S ATOM 310 CE MET A 21 10.507 7.317 -0.735 1.00 1.66 C ATOM 311 H MET A 21 8.104 3.159 -3.297 1.00 0.40 H ATOM 312 HA MET A 21 6.425 4.738 -1.583 1.00 0.26 H ATOM 313 HB2 MET A 21 8.304 5.216 -3.785 1.00 0.43 H ATOM 314 HB3 MET A 21 6.944 6.329 -3.749 1.00 0.42 H ATOM 315 HG2 MET A 21 7.850 7.472 -2.092 1.00 0.66 H ATOM 316 HG3 MET A 21 8.001 6.017 -1.110 1.00 0.42 H ATOM 317 HE1 MET A 21 10.063 8.301 -0.687 1.00 2.14 H ATOM 318 HE2 MET A 21 11.583 7.406 -0.700 1.00 2.17 H ATOM 319 HE3 MET A 21 10.167 6.728 0.104 1.00 2.19 H ATOM 320 N LYS A 22 5.379 3.908 -4.585 1.00 0.28 N ATOM 321 CA LYS A 22 4.204 3.815 -5.445 1.00 0.35 C ATOM 322 C LYS A 22 3.092 2.981 -4.806 1.00 0.32 C ATOM 323 O LYS A 22 1.933 3.072 -5.204 1.00 0.47 O ATOM 324 CB LYS A 22 4.597 3.212 -6.795 1.00 0.45 C ATOM 325 CG LYS A 22 3.471 3.205 -7.816 1.00 0.58 C ATOM 326 CD LYS A 22 3.337 1.849 -8.492 1.00 1.33 C ATOM 327 CE LYS A 22 2.023 1.731 -9.247 1.00 1.62 C ATOM 328 NZ LYS A 22 1.717 0.320 -9.613 1.00 2.35 N ATOM 329 H LYS A 22 6.227 3.528 -4.896 1.00 0.37 H ATOM 330 HA LYS A 22 3.835 4.817 -5.607 1.00 0.39 H ATOM 331 HB2 LYS A 22 5.419 3.781 -7.204 1.00 0.48 H ATOM 332 HB3 LYS A 22 4.921 2.193 -6.639 1.00 0.47 H ATOM 333 HG2 LYS A 22 2.544 3.439 -7.316 1.00 1.38 H ATOM 334 HG3 LYS A 22 3.675 3.953 -8.568 1.00 1.13 H ATOM 335 HD2 LYS A 22 4.153 1.722 -9.187 1.00 1.94 H ATOM 336 HD3 LYS A 22 3.380 1.077 -7.738 1.00 2.10 H ATOM 337 HE2 LYS A 22 1.228 2.112 -8.624 1.00 1.80 H ATOM 338 HE3 LYS A 22 2.087 2.322 -10.149 1.00 2.10 H ATOM 339 HZ1 LYS A 22 2.168 0.080 -10.519 1.00 2.86 H ATOM 340 HZ2 LYS A 22 0.690 0.189 -9.705 1.00 2.67 H ATOM 341 HZ3 LYS A 22 2.073 -0.325 -8.879 1.00 2.77 H ATOM 342 N TYR A 23 3.448 2.154 -3.830 1.00 0.24 N ATOM 343 CA TYR A 23 2.471 1.294 -3.167 1.00 0.23 C ATOM 344 C TYR A 23 1.713 2.015 -2.055 1.00 0.25 C ATOM 345 O TYR A 23 0.543 1.726 -1.805 1.00 0.33 O ATOM 346 CB TYR A 23 3.165 0.069 -2.580 1.00 0.25 C ATOM 347 CG TYR A 23 3.552 -0.960 -3.611 1.00 0.25 C ATOM 348 CD1 TYR A 23 4.369 -0.622 -4.680 1.00 1.16 C ATOM 349 CD2 TYR A 23 3.103 -2.269 -3.514 1.00 1.26 C ATOM 350 CE1 TYR A 23 4.727 -1.562 -5.628 1.00 1.18 C ATOM 351 CE2 TYR A 23 3.456 -3.215 -4.455 1.00 1.26 C ATOM 352 CZ TYR A 23 4.268 -2.857 -5.510 1.00 0.36 C ATOM 353 OH TYR A 23 4.622 -3.797 -6.451 1.00 0.44 O ATOM 354 H TYR A 23 4.389 2.107 -3.559 1.00 0.30 H ATOM 355 HA TYR A 23 1.764 0.966 -3.912 1.00 0.26 H ATOM 356 HB2 TYR A 23 4.063 0.382 -2.071 1.00 0.29 H ATOM 357 HB3 TYR A 23 2.502 -0.405 -1.870 1.00 0.27 H ATOM 358 HD1 TYR A 23 4.725 0.395 -4.765 1.00 2.06 H ATOM 359 HD2 TYR A 23 2.466 -2.545 -2.687 1.00 2.17 H ATOM 360 HE1 TYR A 23 5.364 -1.280 -6.453 1.00 2.10 H ATOM 361 HE2 TYR A 23 3.096 -4.228 -4.361 1.00 2.17 H ATOM 362 HH TYR A 23 3.839 -4.272 -6.739 1.00 0.83 H ATOM 363 N ARG A 24 2.390 2.922 -1.366 1.00 0.25 N ATOM 364 CA ARG A 24 1.778 3.644 -0.251 1.00 0.29 C ATOM 365 C ARG A 24 0.648 4.567 -0.689 1.00 0.31 C ATOM 366 O ARG A 24 -0.485 4.444 -0.229 1.00 0.32 O ATOM 367 CB ARG A 24 2.822 4.489 0.483 1.00 0.35 C ATOM 368 CG ARG A 24 4.124 3.776 0.767 1.00 0.36 C ATOM 369 CD ARG A 24 5.317 4.699 0.606 1.00 0.31 C ATOM 370 NE ARG A 24 6.581 3.965 0.630 1.00 0.36 N ATOM 371 CZ ARG A 24 7.756 4.525 0.916 1.00 0.39 C ATOM 372 NH1 ARG A 24 7.832 5.821 1.194 1.00 0.38 N ATOM 373 NH2 ARG A 24 8.856 3.787 0.928 1.00 0.47 N ATOM 374 H ARG A 24 3.329 3.091 -1.593 1.00 0.28 H ATOM 375 HA ARG A 24 1.380 2.914 0.436 1.00 0.30 H ATOM 376 HB2 ARG A 24 3.042 5.359 -0.114 1.00 0.49 H ATOM 377 HB3 ARG A 24 2.404 4.809 1.425 1.00 0.61 H ATOM 378 HG2 ARG A 24 4.105 3.421 1.783 1.00 0.65 H ATOM 379 HG3 ARG A 24 4.228 2.942 0.090 1.00 0.54 H ATOM 380 HD2 ARG A 24 5.227 5.222 -0.333 1.00 0.33 H ATOM 381 HD3 ARG A 24 5.311 5.414 1.416 1.00 0.42 H ATOM 382 HE ARG A 24 6.554 3.001 0.426 1.00 0.40 H ATOM 383 HH11 ARG A 24 7.006 6.385 1.188 1.00 0.36 H ATOM 384 HH12 ARG A 24 8.717 6.235 1.408 1.00 0.42 H ATOM 385 HH21 ARG A 24 8.804 2.810 0.723 1.00 0.52 H ATOM 386 HH22 ARG A 24 9.738 4.206 1.142 1.00 0.50 H ATOM 387 N LEU A 25 0.984 5.529 -1.531 1.00 0.32 N ATOM 388 CA LEU A 25 0.020 6.526 -1.982 1.00 0.37 C ATOM 389 C LEU A 25 -0.665 6.170 -3.298 1.00 0.36 C ATOM 390 O LEU A 25 -1.862 6.405 -3.463 1.00 0.39 O ATOM 391 CB LEU A 25 0.734 7.867 -2.128 1.00 0.42 C ATOM 392 CG LEU A 25 1.712 8.220 -0.991 1.00 0.43 C ATOM 393 CD1 LEU A 25 1.247 7.641 0.344 1.00 0.42 C ATOM 394 CD2 LEU A 25 3.118 7.733 -1.321 1.00 0.42 C ATOM 395 H LEU A 25 1.917 5.600 -1.825 1.00 0.32 H ATOM 396 HA LEU A 25 -0.736 6.623 -1.217 1.00 0.39 H ATOM 397 HB2 LEU A 25 1.287 7.848 -3.061 1.00 0.42 H ATOM 398 HB3 LEU A 25 -0.012 8.645 -2.187 1.00 0.45 H ATOM 399 HG LEU A 25 1.751 9.294 -0.888 1.00 0.47 H ATOM 400 HD11 LEU A 25 1.747 6.699 0.526 1.00 1.09 H ATOM 401 HD12 LEU A 25 0.180 7.481 0.316 1.00 1.08 H ATOM 402 HD13 LEU A 25 1.485 8.332 1.139 1.00 1.09 H ATOM 403 HD21 LEU A 25 3.753 8.581 -1.526 1.00 1.04 H ATOM 404 HD22 LEU A 25 3.084 7.092 -2.189 1.00 1.13 H ATOM 405 HD23 LEU A 25 3.515 7.181 -0.481 1.00 1.06 H ATOM 406 N ASN A 26 0.100 5.654 -4.245 1.00 0.34 N ATOM 407 CA ASN A 26 -0.438 5.330 -5.561 1.00 0.36 C ATOM 408 C ASN A 26 -1.363 4.112 -5.542 1.00 0.32 C ATOM 409 O ASN A 26 -2.380 4.098 -6.235 1.00 0.38 O ATOM 410 CB ASN A 26 0.710 5.118 -6.540 1.00 0.37 C ATOM 411 CG ASN A 26 0.493 5.845 -7.853 1.00 0.54 C ATOM 412 OD1 ASN A 26 0.827 7.022 -7.986 1.00 1.22 O ATOM 413 ND2 ASN A 26 -0.070 5.145 -8.831 1.00 1.28 N ATOM 414 H ASN A 26 1.056 5.524 -4.072 1.00 0.32 H ATOM 415 HA ASN A 26 -1.011 6.183 -5.891 1.00 0.42 H ATOM 416 HB2 ASN A 26 1.622 5.489 -6.090 1.00 0.36 H ATOM 417 HB3 ASN A 26 0.812 4.064 -6.744 1.00 0.34 H ATOM 418 HD21 ASN A 26 -0.311 4.212 -8.653 1.00 1.98 H ATOM 419 HD22 ASN A 26 -0.222 5.590 -9.690 1.00 1.37 H ATOM 420 N LEU A 27 -1.030 3.098 -4.750 1.00 0.27 N ATOM 421 CA LEU A 27 -1.874 1.906 -4.672 1.00 0.27 C ATOM 422 C LEU A 27 -2.883 2.046 -3.528 1.00 0.25 C ATOM 423 O LEU A 27 -3.795 2.869 -3.609 1.00 0.28 O ATOM 424 CB LEU A 27 -1.021 0.642 -4.516 1.00 0.29 C ATOM 425 CG LEU A 27 -0.614 -0.026 -5.830 1.00 0.63 C ATOM 426 CD1 LEU A 27 0.375 0.843 -6.588 1.00 0.91 C ATOM 427 CD2 LEU A 27 -0.028 -1.403 -5.566 1.00 1.05 C ATOM 428 H LEU A 27 -0.216 3.152 -4.208 1.00 0.27 H ATOM 429 HA LEU A 27 -2.424 1.841 -5.600 1.00 0.32 H ATOM 430 HB2 LEU A 27 -0.126 0.899 -3.972 1.00 0.49 H ATOM 431 HB3 LEU A 27 -1.580 -0.078 -3.939 1.00 0.63 H ATOM 432 HG LEU A 27 -1.492 -0.149 -6.449 1.00 0.93 H ATOM 433 HD11 LEU A 27 0.664 0.345 -7.501 1.00 1.50 H ATOM 434 HD12 LEU A 27 1.248 1.011 -5.977 1.00 1.21 H ATOM 435 HD13 LEU A 27 -0.087 1.790 -6.826 1.00 1.49 H ATOM 436 HD21 LEU A 27 -0.668 -1.941 -4.882 1.00 1.42 H ATOM 437 HD22 LEU A 27 0.955 -1.299 -5.132 1.00 1.50 H ATOM 438 HD23 LEU A 27 0.045 -1.948 -6.495 1.00 1.69 H ATOM 439 N CYS A 28 -2.728 1.261 -2.461 1.00 0.25 N ATOM 440 CA CYS A 28 -3.640 1.344 -1.332 1.00 0.23 C ATOM 441 C CYS A 28 -3.113 2.327 -0.302 1.00 0.22 C ATOM 442 O CYS A 28 -1.904 2.466 -0.121 1.00 0.22 O ATOM 443 CB CYS A 28 -3.762 -0.020 -0.692 1.00 0.25 C ATOM 444 SG CYS A 28 -2.179 -0.608 -0.055 1.00 0.50 S ATOM 445 H CYS A 28 -1.987 0.618 -2.424 1.00 0.29 H ATOM 446 HA CYS A 28 -4.607 1.667 -1.679 1.00 0.25 H ATOM 447 HB2 CYS A 28 -4.456 0.030 0.133 1.00 0.40 H ATOM 448 HB3 CYS A 28 -4.114 -0.733 -1.423 1.00 0.26 H ATOM 449 N LYS A 29 -4.024 2.984 0.385 1.00 0.24 N ATOM 450 CA LYS A 29 -3.659 3.932 1.418 1.00 0.27 C ATOM 451 C LYS A 29 -3.365 3.226 2.734 1.00 0.27 C ATOM 452 O LYS A 29 -2.289 3.362 3.304 1.00 0.30 O ATOM 453 CB LYS A 29 -4.769 4.966 1.602 1.00 0.33 C ATOM 454 CG LYS A 29 -5.030 5.790 0.351 1.00 0.31 C ATOM 455 CD LYS A 29 -4.745 7.267 0.581 1.00 0.81 C ATOM 456 CE LYS A 29 -4.377 7.975 -0.714 1.00 0.97 C ATOM 457 NZ LYS A 29 -5.403 8.980 -1.109 1.00 1.30 N ATOM 458 H LYS A 29 -4.967 2.807 0.212 1.00 0.26 H ATOM 459 HA LYS A 29 -2.763 4.440 1.093 1.00 0.27 H ATOM 460 HB2 LYS A 29 -5.682 4.454 1.870 1.00 0.39 H ATOM 461 HB3 LYS A 29 -4.492 5.637 2.402 1.00 0.39 H ATOM 462 HG2 LYS A 29 -4.391 5.431 -0.445 1.00 0.44 H ATOM 463 HG3 LYS A 29 -6.065 5.673 0.064 1.00 0.56 H ATOM 464 HD2 LYS A 29 -5.626 7.733 0.996 1.00 1.21 H ATOM 465 HD3 LYS A 29 -3.925 7.360 1.278 1.00 1.28 H ATOM 466 HE2 LYS A 29 -3.430 8.476 -0.579 1.00 1.60 H ATOM 467 HE3 LYS A 29 -4.285 7.240 -1.500 1.00 1.31 H ATOM 468 HZ1 LYS A 29 -6.347 8.543 -1.119 1.00 1.81 H ATOM 469 HZ2 LYS A 29 -5.195 9.350 -2.058 1.00 1.53 H ATOM 470 HZ3 LYS A 29 -5.406 9.772 -0.434 1.00 1.88 H ATOM 471 N LYS A 30 -4.359 2.500 3.228 1.00 0.27 N ATOM 472 CA LYS A 30 -4.245 1.801 4.501 1.00 0.31 C ATOM 473 C LYS A 30 -3.557 0.439 4.410 1.00 0.29 C ATOM 474 O LYS A 30 -2.615 0.169 5.152 1.00 0.31 O ATOM 475 CB LYS A 30 -5.630 1.617 5.115 1.00 0.36 C ATOM 476 CG LYS A 30 -5.618 0.770 6.374 1.00 0.46 C ATOM 477 CD LYS A 30 -5.180 1.578 7.581 1.00 0.57 C ATOM 478 CE LYS A 30 -5.990 1.223 8.818 1.00 1.03 C ATOM 479 NZ LYS A 30 -5.890 -0.225 9.155 1.00 1.66 N ATOM 480 H LYS A 30 -5.205 2.457 2.736 1.00 0.26 H ATOM 481 HA LYS A 30 -3.667 2.429 5.160 1.00 0.35 H ATOM 482 HB2 LYS A 30 -6.036 2.586 5.359 1.00 0.41 H ATOM 483 HB3 LYS A 30 -6.270 1.138 4.390 1.00 0.33 H ATOM 484 HG2 LYS A 30 -6.608 0.383 6.549 1.00 0.47 H ATOM 485 HG3 LYS A 30 -4.926 -0.049 6.233 1.00 0.48 H ATOM 486 HD2 LYS A 30 -4.136 1.378 7.774 1.00 0.73 H ATOM 487 HD3 LYS A 30 -5.312 2.627 7.364 1.00 0.87 H ATOM 488 HE2 LYS A 30 -5.622 1.802 9.652 1.00 1.61 H ATOM 489 HE3 LYS A 30 -7.025 1.471 8.638 1.00 1.65 H ATOM 490 HZ1 LYS A 30 -5.208 -0.366 9.928 1.00 2.20 H ATOM 491 HZ2 LYS A 30 -5.573 -0.765 8.325 1.00 2.11 H ATOM 492 HZ3 LYS A 30 -6.818 -0.587 9.456 1.00 2.11 H ATOM 493 N THR A 31 -4.072 -0.444 3.559 1.00 0.28 N ATOM 494 CA THR A 31 -3.533 -1.799 3.459 1.00 0.32 C ATOM 495 C THR A 31 -2.016 -1.826 3.340 1.00 0.30 C ATOM 496 O THR A 31 -1.371 -2.772 3.792 1.00 0.37 O ATOM 497 CB THR A 31 -4.155 -2.549 2.289 1.00 0.33 C ATOM 498 OG1 THR A 31 -5.566 -2.578 2.405 1.00 0.44 O ATOM 499 CG2 THR A 31 -3.672 -3.976 2.199 1.00 0.54 C ATOM 500 H THR A 31 -4.856 -0.198 3.019 1.00 0.28 H ATOM 501 HA THR A 31 -3.804 -2.314 4.369 1.00 0.36 H ATOM 502 HB THR A 31 -3.895 -2.049 1.368 1.00 0.27 H ATOM 503 HG1 THR A 31 -5.810 -2.938 3.260 1.00 1.01 H ATOM 504 HG21 THR A 31 -4.145 -4.561 2.972 1.00 1.19 H ATOM 505 HG22 THR A 31 -2.599 -4.001 2.337 1.00 1.16 H ATOM 506 HG23 THR A 31 -3.925 -4.380 1.233 1.00 1.18 H ATOM 507 N CYS A 32 -1.447 -0.801 2.735 1.00 0.24 N ATOM 508 CA CYS A 32 0.009 -0.748 2.575 1.00 0.26 C ATOM 509 C CYS A 32 0.678 -0.416 3.903 1.00 0.24 C ATOM 510 O CYS A 32 1.883 -0.603 4.070 1.00 0.26 O ATOM 511 CB CYS A 32 0.418 0.271 1.502 1.00 0.31 C ATOM 512 SG CYS A 32 2.202 0.641 1.451 1.00 0.89 S ATOM 513 H CYS A 32 -2.015 -0.071 2.395 1.00 0.22 H ATOM 514 HA CYS A 32 0.336 -1.730 2.264 1.00 0.31 H ATOM 515 HB2 CYS A 32 0.151 -0.115 0.532 1.00 0.47 H ATOM 516 HB3 CYS A 32 -0.108 1.198 1.674 1.00 0.43 H ATOM 517 N GLY A 33 -0.116 0.067 4.846 1.00 0.24 N ATOM 518 CA GLY A 33 0.404 0.414 6.155 1.00 0.29 C ATOM 519 C GLY A 33 0.931 1.837 6.229 1.00 0.35 C ATOM 520 O GLY A 33 2.047 2.065 6.697 1.00 0.46 O ATOM 521 H GLY A 33 -1.070 0.180 4.651 1.00 0.24 H ATOM 522 HA2 GLY A 33 -0.384 0.298 6.884 1.00 0.35 H ATOM 523 HA3 GLY A 33 1.206 -0.267 6.400 1.00 0.29 H ATOM 524 N THR A 34 0.128 2.798 5.777 1.00 0.34 N ATOM 525 CA THR A 34 0.529 4.205 5.810 1.00 0.44 C ATOM 526 C THR A 34 -0.629 5.101 6.241 1.00 0.52 C ATOM 527 O THR A 34 -0.425 6.107 6.921 1.00 0.68 O ATOM 528 CB THR A 34 1.054 4.662 4.445 1.00 0.51 C ATOM 529 OG1 THR A 34 1.206 6.070 4.415 1.00 1.06 O ATOM 530 CG2 THR A 34 0.160 4.277 3.290 1.00 0.54 C ATOM 531 H THR A 34 -0.753 2.556 5.422 1.00 0.32 H ATOM 532 HA THR A 34 1.323 4.299 6.536 1.00 0.50 H ATOM 533 HB THR A 34 2.018 4.217 4.275 1.00 0.78 H ATOM 534 HG1 THR A 34 2.089 6.303 4.712 1.00 1.39 H ATOM 535 HG21 THR A 34 -0.110 3.236 3.376 1.00 1.16 H ATOM 536 HG22 THR A 34 0.685 4.438 2.360 1.00 1.26 H ATOM 537 HG23 THR A 34 -0.733 4.884 3.309 1.00 1.18 H ATOM 538 N CYS A 35 -1.844 4.735 5.843 1.00 0.49 N ATOM 539 CA CYS A 35 -3.029 5.515 6.192 1.00 0.62 C ATOM 540 C CYS A 35 -3.142 5.691 7.704 1.00 0.95 C ATOM 541 O CYS A 35 -3.356 6.838 8.151 1.00 1.71 O ATOM 542 CB CYS A 35 -4.289 4.839 5.652 1.00 1.04 C ATOM 543 SG CYS A 35 -5.714 5.957 5.450 1.00 1.59 S ATOM 544 OXT CYS A 35 -3.015 4.681 8.427 1.00 1.64 O ATOM 545 H CYS A 35 -1.947 3.923 5.302 1.00 0.43 H ATOM 546 HA CYS A 35 -2.931 6.488 5.735 1.00 1.30 H ATOM 547 HB2 CYS A 35 -4.072 4.412 4.687 1.00 1.71 H ATOM 548 HB3 CYS A 35 -4.583 4.052 6.329 1.00 1.53 H