ATOM 45 N ASP A 5 -7.932 0.663 -0.467 1.00 0.20 N ATOM 46 CA ASP A 5 -6.762 0.039 -1.056 1.00 0.25 C ATOM 47 C ASP A 5 -7.017 -0.375 -2.497 1.00 0.23 C ATOM 48 O ASP A 5 -8.034 -0.993 -2.814 1.00 0.26 O ATOM 49 CB ASP A 5 -6.345 -1.178 -0.233 1.00 0.32 C ATOM 50 CG ASP A 5 -7.421 -2.245 -0.190 1.00 0.40 C ATOM 51 OD1 ASP A 5 -8.588 -1.925 -0.502 1.00 1.11 O ATOM 52 OD2 ASP A 5 -7.098 -3.400 0.156 1.00 1.24 O ATOM 53 H ASP A 5 -8.768 0.163 -0.434 1.00 0.23 H ATOM 54 HA ASP A 5 -5.964 0.763 -1.039 1.00 0.33 H ATOM 55 HB2 ASP A 5 -5.453 -1.609 -0.663 1.00 0.30 H ATOM 56 HB3 ASP A 5 -6.137 -0.861 0.775 1.00 0.38 H ATOM 57 N TYR A 6 -6.077 -0.029 -3.361 1.00 0.19 N ATOM 58 CA TYR A 6 -6.172 -0.355 -4.780 1.00 0.20 C ATOM 59 C TYR A 6 -5.991 -1.854 -5.026 1.00 0.19 C ATOM 60 O TYR A 6 -6.289 -2.345 -6.114 1.00 0.23 O ATOM 61 CB TYR A 6 -5.121 0.427 -5.572 1.00 0.20 C ATOM 62 CG TYR A 6 -5.703 1.368 -6.603 1.00 0.41 C ATOM 63 CD1 TYR A 6 -6.833 1.021 -7.333 1.00 1.37 C ATOM 64 CD2 TYR A 6 -5.119 2.604 -6.845 1.00 1.24 C ATOM 65 CE1 TYR A 6 -7.364 1.881 -8.276 1.00 1.54 C ATOM 66 CE2 TYR A 6 -5.644 3.469 -7.786 1.00 1.33 C ATOM 67 CZ TYR A 6 -6.766 3.103 -8.499 1.00 0.94 C ATOM 68 OH TYR A 6 -7.292 3.962 -9.437 1.00 1.21 O ATOM 69 H TYR A 6 -5.297 0.463 -3.034 1.00 0.18 H ATOM 70 HA TYR A 6 -7.154 -0.064 -5.120 1.00 0.23 H ATOM 71 HB2 TYR A 6 -4.533 1.016 -4.886 1.00 0.30 H ATOM 72 HB3 TYR A 6 -4.473 -0.268 -6.086 1.00 0.25 H ATOM 73 HD1 TYR A 6 -7.299 0.063 -7.156 1.00 2.21 H ATOM 74 HD2 TYR A 6 -4.239 2.887 -6.286 1.00 2.12 H ATOM 75 HE1 TYR A 6 -8.244 1.593 -8.834 1.00 2.44 H ATOM 76 HE2 TYR A 6 -5.175 4.426 -7.960 1.00 2.18 H ATOM 77 HH TYR A 6 -6.578 4.382 -9.922 1.00 1.49 H ATOM 78 N LEU A 7 -5.495 -2.580 -4.024 1.00 0.18 N ATOM 79 CA LEU A 7 -5.281 -4.019 -4.175 1.00 0.19 C ATOM 80 C LEU A 7 -5.600 -4.780 -2.896 1.00 0.20 C ATOM 81 O LEU A 7 -5.838 -4.186 -1.844 1.00 0.20 O ATOM 82 CB LEU A 7 -3.836 -4.312 -4.578 1.00 0.18 C ATOM 83 CG LEU A 7 -3.511 -4.087 -6.054 1.00 0.21 C ATOM 84 CD1 LEU A 7 -2.113 -3.509 -6.206 1.00 0.24 C ATOM 85 CD2 LEU A 7 -3.641 -5.393 -6.825 1.00 0.21 C ATOM 86 H LEU A 7 -5.267 -2.144 -3.174 1.00 0.19 H ATOM 87 HA LEU A 7 -5.937 -4.368 -4.958 1.00 0.21 H ATOM 88 HB2 LEU A 7 -3.185 -3.699 -3.982 1.00 0.17 H ATOM 89 HB3 LEU A 7 -3.627 -5.340 -4.346 1.00 0.18 H ATOM 90 HG LEU A 7 -4.214 -3.379 -6.469 1.00 0.24 H ATOM 91 HD11 LEU A 7 -1.525 -3.757 -5.335 1.00 1.03 H ATOM 92 HD12 LEU A 7 -2.175 -2.435 -6.305 1.00 1.07 H ATOM 93 HD13 LEU A 7 -1.646 -3.925 -7.086 1.00 1.01 H ATOM 94 HD21 LEU A 7 -2.737 -5.572 -7.388 1.00 1.04 H ATOM 95 HD22 LEU A 7 -4.480 -5.330 -7.501 1.00 1.02 H ATOM 96 HD23 LEU A 7 -3.798 -6.207 -6.130 1.00 1.01 H ATOM 97 N PRO A 8 -5.602 -6.121 -2.980 1.00 0.21 N ATOM 98 CA PRO A 8 -5.883 -7.003 -1.850 1.00 0.23 C ATOM 99 C PRO A 8 -4.891 -6.866 -0.725 1.00 0.21 C ATOM 100 O PRO A 8 -3.831 -6.254 -0.858 1.00 0.18 O ATOM 101 CB PRO A 8 -5.797 -8.408 -2.430 1.00 0.26 C ATOM 102 CG PRO A 8 -6.023 -8.205 -3.868 1.00 0.25 C ATOM 103 CD PRO A 8 -5.332 -6.910 -4.191 1.00 0.22 C ATOM 104 HA PRO A 8 -6.878 -6.838 -1.464 1.00 0.25 H ATOM 105 HB2 PRO A 8 -4.821 -8.827 -2.234 1.00 0.26 H ATOM 106 HB3 PRO A 8 -6.562 -9.032 -1.992 1.00 0.29 H ATOM 107 HG2 PRO A 8 -5.593 -9.022 -4.415 1.00 0.23 H ATOM 108 HG3 PRO A 8 -7.082 -8.125 -4.051 1.00 0.28 H ATOM 109 HD2 PRO A 8 -4.273 -7.068 -4.324 1.00 0.20 H ATOM 110 HD3 PRO A 8 -5.758 -6.444 -5.065 1.00 0.23 H ATOM 111 N LYS A 9 -5.265 -7.460 0.380 1.00 0.23 N ATOM 112 CA LYS A 9 -4.442 -7.451 1.583 1.00 0.23 C ATOM 113 C LYS A 9 -3.078 -8.088 1.321 1.00 0.22 C ATOM 114 O LYS A 9 -2.119 -7.847 2.054 1.00 0.22 O ATOM 115 CB LYS A 9 -5.153 -8.196 2.714 1.00 0.26 C ATOM 116 CG LYS A 9 -6.603 -7.777 2.901 1.00 0.30 C ATOM 117 CD LYS A 9 -6.787 -6.939 4.156 1.00 1.00 C ATOM 118 CE LYS A 9 -8.113 -6.196 4.141 1.00 1.48 C ATOM 119 NZ LYS A 9 -8.760 -6.185 5.482 1.00 2.12 N ATOM 120 H LYS A 9 -6.123 -7.939 0.374 1.00 0.25 H ATOM 121 HA LYS A 9 -4.296 -6.423 1.878 1.00 0.22 H ATOM 122 HB2 LYS A 9 -5.132 -9.255 2.500 1.00 0.28 H ATOM 123 HB3 LYS A 9 -4.625 -8.014 3.637 1.00 0.27 H ATOM 124 HG2 LYS A 9 -6.913 -7.197 2.045 1.00 0.86 H ATOM 125 HG3 LYS A 9 -7.216 -8.664 2.978 1.00 0.79 H ATOM 126 HD2 LYS A 9 -6.760 -7.588 5.018 1.00 1.52 H ATOM 127 HD3 LYS A 9 -5.982 -6.221 4.218 1.00 1.72 H ATOM 128 HE2 LYS A 9 -7.937 -5.178 3.828 1.00 2.03 H ATOM 129 HE3 LYS A 9 -8.774 -6.679 3.436 1.00 1.89 H ATOM 130 HZ1 LYS A 9 -9.356 -5.339 5.585 1.00 2.47 H ATOM 131 HZ2 LYS A 9 -8.035 -6.177 6.228 1.00 2.52 H ATOM 132 HZ3 LYS A 9 -9.353 -7.031 5.600 1.00 2.60 H ATOM 133 N SER A 10 -3.002 -8.910 0.277 1.00 0.22 N ATOM 134 CA SER A 10 -1.760 -9.593 -0.075 1.00 0.23 C ATOM 135 C SER A 10 -0.858 -8.722 -0.950 1.00 0.22 C ATOM 136 O SER A 10 0.362 -8.727 -0.790 1.00 0.24 O ATOM 137 CB SER A 10 -2.067 -10.907 -0.795 1.00 0.27 C ATOM 138 OG SER A 10 -1.173 -11.930 -0.393 1.00 1.24 O ATOM 139 H SER A 10 -3.802 -9.070 -0.264 1.00 0.23 H ATOM 140 HA SER A 10 -1.237 -9.816 0.843 1.00 0.23 H ATOM 141 HB2 SER A 10 -3.075 -11.215 -0.563 1.00 1.04 H ATOM 142 HB3 SER A 10 -1.972 -10.761 -1.861 1.00 0.97 H ATOM 143 HG SER A 10 -1.297 -12.115 0.541 1.00 1.69 H ATOM 144 N GLU A 11 -1.458 -7.981 -1.878 1.00 0.23 N ATOM 145 CA GLU A 11 -0.697 -7.120 -2.773 1.00 0.26 C ATOM 146 C GLU A 11 -0.105 -5.951 -2.015 1.00 0.26 C ATOM 147 O GLU A 11 1.018 -5.519 -2.275 1.00 0.30 O ATOM 148 CB GLU A 11 -1.618 -6.589 -3.865 1.00 0.31 C ATOM 149 CG GLU A 11 -1.329 -7.141 -5.247 1.00 0.38 C ATOM 150 CD GLU A 11 -0.528 -6.180 -6.105 1.00 0.53 C ATOM 151 OE1 GLU A 11 0.162 -5.309 -5.534 1.00 1.31 O ATOM 152 OE2 GLU A 11 -0.592 -6.298 -7.346 1.00 1.16 O ATOM 153 H GLU A 11 -2.432 -8.012 -1.969 1.00 0.22 H ATOM 154 HA GLU A 11 0.098 -7.700 -3.215 1.00 0.28 H ATOM 155 HB2 GLU A 11 -2.632 -6.849 -3.608 1.00 0.26 H ATOM 156 HB3 GLU A 11 -1.534 -5.511 -3.899 1.00 0.38 H ATOM 157 HG2 GLU A 11 -0.772 -8.060 -5.146 1.00 0.38 H ATOM 158 HG3 GLU A 11 -2.271 -7.341 -5.738 1.00 0.38 H ATOM 159 N CYS A 12 -0.879 -5.446 -1.076 1.00 0.26 N ATOM 160 CA CYS A 12 -0.460 -4.324 -0.264 1.00 0.30 C ATOM 161 C CYS A 12 0.047 -4.816 1.078 1.00 0.24 C ATOM 162 O CYS A 12 -0.729 -5.239 1.935 1.00 0.28 O ATOM 163 CB CYS A 12 -1.626 -3.365 -0.081 1.00 0.46 C ATOM 164 SG CYS A 12 -1.751 -2.107 -1.371 1.00 0.80 S ATOM 165 H CYS A 12 -1.764 -5.840 -0.926 1.00 0.24 H ATOM 166 HA CYS A 12 0.341 -3.817 -0.779 1.00 0.35 H ATOM 167 HB2 CYS A 12 -2.544 -3.924 -0.094 1.00 0.48 H ATOM 168 HB3 CYS A 12 -1.526 -2.845 0.868 1.00 0.45 H ATOM 169 N THR A 13 1.358 -4.774 1.246 1.00 0.22 N ATOM 170 CA THR A 13 1.980 -5.232 2.475 1.00 0.20 C ATOM 171 C THR A 13 2.698 -4.086 3.167 1.00 0.22 C ATOM 172 O THR A 13 3.290 -3.232 2.508 1.00 0.23 O ATOM 173 CB THR A 13 2.956 -6.372 2.160 1.00 0.19 C ATOM 174 OG1 THR A 13 3.755 -6.052 1.037 1.00 0.19 O ATOM 175 CG2 THR A 13 2.258 -7.683 1.855 1.00 0.21 C ATOM 176 H THR A 13 1.926 -4.433 0.520 1.00 0.28 H ATOM 177 HA THR A 13 1.202 -5.603 3.126 1.00 0.25 H ATOM 178 HB THR A 13 3.613 -6.527 3.006 1.00 0.24 H ATOM 179 HG1 THR A 13 3.210 -6.048 0.247 1.00 0.78 H ATOM 180 HG21 THR A 13 1.544 -7.901 2.634 1.00 1.03 H ATOM 181 HG22 THR A 13 2.989 -8.477 1.803 1.00 1.04 H ATOM 182 HG23 THR A 13 1.742 -7.606 0.904 1.00 1.04 H ATOM 183 N GLN A 14 2.653 -4.068 4.498 1.00 0.29 N ATOM 184 CA GLN A 14 3.320 -3.018 5.264 1.00 0.33 C ATOM 185 C GLN A 14 4.742 -2.834 4.751 1.00 0.28 C ATOM 186 O GLN A 14 5.297 -1.735 4.786 1.00 0.31 O ATOM 187 CB GLN A 14 3.321 -3.363 6.753 1.00 0.42 C ATOM 188 CG GLN A 14 1.961 -3.194 7.412 1.00 0.72 C ATOM 189 CD GLN A 14 1.010 -4.334 7.093 1.00 0.88 C ATOM 190 OE1 GLN A 14 1.014 -5.365 7.766 1.00 1.81 O ATOM 191 NE2 GLN A 14 0.188 -4.155 6.062 1.00 0.77 N ATOM 192 H GLN A 14 2.171 -4.777 4.971 1.00 0.34 H ATOM 193 HA GLN A 14 2.775 -2.098 5.112 1.00 0.35 H ATOM 194 HB2 GLN A 14 3.633 -4.390 6.874 1.00 0.67 H ATOM 195 HB3 GLN A 14 4.025 -2.720 7.260 1.00 0.49 H ATOM 196 HG2 GLN A 14 2.096 -3.149 8.482 1.00 1.40 H ATOM 197 HG3 GLN A 14 1.520 -2.270 7.067 1.00 1.41 H ATOM 198 HE21 GLN A 14 0.237 -3.309 5.568 1.00 0.91 H ATOM 199 HE22 GLN A 14 -0.436 -4.877 5.837 1.00 1.26 H ATOM 200 N PHE A 15 5.304 -3.922 4.237 1.00 0.25 N ATOM 201 CA PHE A 15 6.637 -3.909 3.665 1.00 0.26 C ATOM 202 C PHE A 15 6.709 -2.942 2.488 1.00 0.22 C ATOM 203 O PHE A 15 7.701 -2.238 2.306 1.00 0.24 O ATOM 204 CB PHE A 15 7.010 -5.322 3.212 1.00 0.29 C ATOM 205 CG PHE A 15 7.932 -6.031 4.159 1.00 0.37 C ATOM 206 CD1 PHE A 15 9.287 -5.746 4.157 1.00 1.25 C ATOM 207 CD2 PHE A 15 7.450 -6.977 5.048 1.00 1.14 C ATOM 208 CE1 PHE A 15 10.146 -6.391 5.023 1.00 1.29 C ATOM 209 CE2 PHE A 15 8.305 -7.627 5.919 1.00 1.17 C ATOM 210 CZ PHE A 15 9.655 -7.333 5.906 1.00 0.52 C ATOM 211 H PHE A 15 4.792 -4.756 4.218 1.00 0.26 H ATOM 212 HA PHE A 15 7.328 -3.588 4.429 1.00 0.31 H ATOM 213 HB2 PHE A 15 6.107 -5.909 3.134 1.00 0.27 H ATOM 214 HB3 PHE A 15 7.481 -5.276 2.246 1.00 0.29 H ATOM 215 HD1 PHE A 15 9.672 -5.010 3.467 1.00 2.10 H ATOM 216 HD2 PHE A 15 6.395 -7.207 5.058 1.00 2.00 H ATOM 217 HE1 PHE A 15 11.201 -6.158 5.009 1.00 2.15 H ATOM 218 HE2 PHE A 15 7.918 -8.363 6.608 1.00 2.01 H ATOM 219 HZ PHE A 15 10.326 -7.840 6.585 1.00 0.58 H ATOM 220 N ARG A 16 5.645 -2.917 1.694 1.00 0.19 N ATOM 221 CA ARG A 16 5.572 -2.042 0.531 1.00 0.20 C ATOM 222 C ARG A 16 5.789 -0.586 0.918 1.00 0.17 C ATOM 223 O ARG A 16 6.569 0.115 0.283 1.00 0.19 O ATOM 224 CB ARG A 16 4.222 -2.214 -0.169 1.00 0.32 C ATOM 225 CG ARG A 16 3.956 -3.636 -0.611 1.00 0.24 C ATOM 226 CD ARG A 16 4.870 -4.049 -1.753 1.00 0.40 C ATOM 227 NE ARG A 16 6.141 -4.585 -1.269 1.00 0.78 N ATOM 228 CZ ARG A 16 6.976 -5.304 -2.015 1.00 0.89 C ATOM 229 NH1 ARG A 16 6.680 -5.576 -3.280 1.00 1.49 N ATOM 230 NH2 ARG A 16 8.110 -5.753 -1.495 1.00 1.39 N ATOM 231 H ARG A 16 4.887 -3.503 1.896 1.00 0.18 H ATOM 232 HA ARG A 16 6.356 -2.331 -0.150 1.00 0.26 H ATOM 233 HB2 ARG A 16 3.435 -1.919 0.504 1.00 0.54 H ATOM 234 HB3 ARG A 16 4.193 -1.584 -1.038 1.00 0.47 H ATOM 235 HG2 ARG A 16 4.124 -4.292 0.225 1.00 0.23 H ATOM 236 HG3 ARG A 16 2.928 -3.712 -0.935 1.00 0.37 H ATOM 237 HD2 ARG A 16 4.373 -4.806 -2.340 1.00 0.87 H ATOM 238 HD3 ARG A 16 5.066 -3.186 -2.371 1.00 0.69 H ATOM 239 HE ARG A 16 6.384 -4.399 -0.338 1.00 1.52 H ATOM 240 HH11 ARG A 16 5.826 -5.241 -3.679 1.00 1.80 H ATOM 241 HH12 ARG A 16 7.312 -6.116 -3.836 1.00 1.98 H ATOM 242 HH21 ARG A 16 8.338 -5.551 -0.543 1.00 1.96 H ATOM 243 HH22 ARG A 16 8.738 -6.293 -2.056 1.00 1.54 H ATOM 244 N CYS A 17 5.106 -0.131 1.960 1.00 0.24 N ATOM 245 CA CYS A 17 5.254 1.250 2.405 1.00 0.33 C ATOM 246 C CYS A 17 6.627 1.485 3.020 1.00 0.34 C ATOM 247 O CYS A 17 7.106 2.615 3.086 1.00 0.45 O ATOM 248 CB CYS A 17 4.168 1.617 3.408 1.00 0.48 C ATOM 249 SG CYS A 17 2.598 2.124 2.642 1.00 0.58 S ATOM 250 H CYS A 17 4.496 -0.732 2.438 1.00 0.27 H ATOM 251 HA CYS A 17 5.157 1.881 1.541 1.00 0.36 H ATOM 252 HB2 CYS A 17 3.967 0.767 4.041 1.00 0.92 H ATOM 253 HB3 CYS A 17 4.521 2.435 4.013 1.00 0.83 H ATOM 254 N ARG A 18 7.254 0.415 3.475 1.00 0.30 N ATOM 255 CA ARG A 18 8.574 0.512 4.085 1.00 0.40 C ATOM 256 C ARG A 18 9.621 0.937 3.086 1.00 0.41 C ATOM 257 O ARG A 18 10.455 1.803 3.348 1.00 0.51 O ATOM 258 CB ARG A 18 9.014 -0.852 4.620 1.00 0.45 C ATOM 259 CG ARG A 18 9.478 -0.821 6.067 1.00 0.60 C ATOM 260 CD ARG A 18 10.550 -1.866 6.331 1.00 1.08 C ATOM 261 NE ARG A 18 11.116 -1.744 7.672 1.00 1.48 N ATOM 262 CZ ARG A 18 11.964 -2.624 8.201 1.00 2.14 C ATOM 263 NH1 ARG A 18 12.346 -3.688 7.506 1.00 2.62 N ATOM 264 NH2 ARG A 18 12.432 -2.438 9.428 1.00 2.87 N ATOM 265 H ARG A 18 6.816 -0.457 3.407 1.00 0.26 H ATOM 266 HA ARG A 18 8.538 1.211 4.885 1.00 0.48 H ATOM 267 HB2 ARG A 18 8.188 -1.543 4.541 1.00 0.57 H ATOM 268 HB3 ARG A 18 9.844 -1.214 4.001 1.00 0.57 H ATOM 269 HG2 ARG A 18 9.882 0.157 6.285 1.00 1.04 H ATOM 270 HG3 ARG A 18 8.632 -1.015 6.710 1.00 1.01 H ATOM 271 HD2 ARG A 18 10.112 -2.847 6.223 1.00 1.66 H ATOM 272 HD3 ARG A 18 11.340 -1.744 5.604 1.00 1.70 H ATOM 273 HE ARG A 18 10.851 -0.967 8.207 1.00 1.87 H ATOM 274 HH11 ARG A 18 11.997 -3.834 6.580 1.00 2.57 H ATOM 275 HH12 ARG A 18 12.983 -4.345 7.909 1.00 3.34 H ATOM 276 HH21 ARG A 18 12.147 -1.638 9.956 1.00 3.09 H ATOM 277 HH22 ARG A 18 13.068 -3.099 9.825 1.00 3.44 H ATOM 278 N THR A 19 9.613 0.239 1.977 1.00 0.36 N ATOM 279 CA THR A 19 10.599 0.428 0.944 1.00 0.41 C ATOM 280 C THR A 19 10.016 0.924 -0.384 1.00 0.38 C ATOM 281 O THR A 19 10.687 1.634 -1.134 1.00 0.59 O ATOM 282 CB THR A 19 11.302 -0.910 0.804 1.00 0.48 C ATOM 283 OG1 THR A 19 12.185 -0.931 -0.303 1.00 0.56 O ATOM 284 CG2 THR A 19 10.331 -2.060 0.671 1.00 0.46 C ATOM 285 H THR A 19 8.953 -0.478 1.876 1.00 0.31 H ATOM 286 HA THR A 19 11.315 1.153 1.299 1.00 0.48 H ATOM 287 HB THR A 19 11.866 -1.084 1.717 1.00 0.55 H ATOM 288 HG1 THR A 19 13.001 -0.481 -0.071 1.00 1.06 H ATOM 289 HG21 THR A 19 9.667 -1.878 -0.160 1.00 1.13 H ATOM 290 HG22 THR A 19 9.753 -2.135 1.587 1.00 1.04 H ATOM 291 HG23 THR A 19 10.875 -2.978 0.511 1.00 1.15 H ATOM 292 N SER A 20 8.778 0.538 -0.681 1.00 0.33 N ATOM 293 CA SER A 20 8.129 0.938 -1.933 1.00 0.32 C ATOM 294 C SER A 20 7.206 2.142 -1.738 1.00 0.28 C ATOM 295 O SER A 20 6.228 2.074 -0.996 1.00 0.42 O ATOM 296 CB SER A 20 7.336 -0.235 -2.512 1.00 0.35 C ATOM 297 OG SER A 20 8.100 -0.942 -3.475 1.00 0.73 O ATOM 298 H SER A 20 8.293 -0.037 -0.054 1.00 0.47 H ATOM 299 HA SER A 20 8.906 1.210 -2.632 1.00 0.40 H ATOM 300 HB2 SER A 20 7.068 -0.913 -1.716 1.00 0.64 H ATOM 301 HB3 SER A 20 6.439 0.137 -2.985 1.00 0.58 H ATOM 302 HG SER A 20 7.600 -1.012 -4.291 1.00 0.97 H ATOM 303 N MET A 21 7.523 3.242 -2.416 1.00 0.27 N ATOM 304 CA MET A 21 6.726 4.464 -2.324 1.00 0.25 C ATOM 305 C MET A 21 5.466 4.381 -3.189 1.00 0.25 C ATOM 306 O MET A 21 4.419 4.922 -2.833 1.00 0.38 O ATOM 307 CB MET A 21 7.565 5.672 -2.754 1.00 0.35 C ATOM 308 CG MET A 21 8.162 6.448 -1.593 1.00 0.42 C ATOM 309 SD MET A 21 9.773 7.156 -1.986 1.00 0.95 S ATOM 310 CE MET A 21 10.729 5.673 -2.294 1.00 1.66 C ATOM 311 H MET A 21 8.313 3.232 -2.996 1.00 0.40 H ATOM 312 HA MET A 21 6.433 4.592 -1.293 1.00 0.26 H ATOM 313 HB2 MET A 21 8.374 5.327 -3.381 1.00 0.43 H ATOM 314 HB3 MET A 21 6.942 6.344 -3.325 1.00 0.42 H ATOM 315 HG2 MET A 21 7.488 7.249 -1.328 1.00 0.66 H ATOM 316 HG3 MET A 21 8.273 5.782 -0.752 1.00 0.42 H ATOM 317 HE1 MET A 21 10.100 4.805 -2.159 1.00 2.14 H ATOM 318 HE2 MET A 21 11.557 5.628 -1.602 1.00 2.17 H ATOM 319 HE3 MET A 21 11.105 5.690 -3.306 1.00 2.19 H ATOM 320 N LYS A 22 5.585 3.720 -4.334 1.00 0.28 N ATOM 321 CA LYS A 22 4.470 3.580 -5.269 1.00 0.35 C ATOM 322 C LYS A 22 3.262 2.887 -4.633 1.00 0.32 C ATOM 323 O LYS A 22 2.129 3.348 -4.768 1.00 0.47 O ATOM 324 CB LYS A 22 4.930 2.795 -6.502 1.00 0.45 C ATOM 325 CG LYS A 22 3.834 2.559 -7.530 1.00 0.58 C ATOM 326 CD LYS A 22 3.950 3.520 -8.702 1.00 1.33 C ATOM 327 CE LYS A 22 3.579 2.846 -10.013 1.00 1.62 C ATOM 328 NZ LYS A 22 2.114 2.904 -10.274 1.00 2.35 N ATOM 329 H LYS A 22 6.451 3.325 -4.566 1.00 0.37 H ATOM 330 HA LYS A 22 4.175 4.570 -5.580 1.00 0.39 H ATOM 331 HB2 LYS A 22 5.730 3.339 -6.981 1.00 0.48 H ATOM 332 HB3 LYS A 22 5.304 1.834 -6.181 1.00 0.47 H ATOM 333 HG2 LYS A 22 3.914 1.547 -7.900 1.00 1.38 H ATOM 334 HG3 LYS A 22 2.874 2.695 -7.058 1.00 1.13 H ATOM 335 HD2 LYS A 22 3.286 4.355 -8.537 1.00 1.94 H ATOM 336 HD3 LYS A 22 4.969 3.874 -8.765 1.00 2.10 H ATOM 337 HE2 LYS A 22 4.098 3.344 -10.819 1.00 1.80 H ATOM 338 HE3 LYS A 22 3.888 1.812 -9.972 1.00 2.10 H ATOM 339 HZ1 LYS A 22 1.791 2.012 -10.698 1.00 2.86 H ATOM 340 HZ2 LYS A 22 1.897 3.684 -10.927 1.00 2.67 H ATOM 341 HZ3 LYS A 22 1.598 3.060 -9.383 1.00 2.77 H ATOM 342 N TYR A 23 3.509 1.769 -3.965 1.00 0.24 N ATOM 343 CA TYR A 23 2.442 0.992 -3.332 1.00 0.23 C ATOM 344 C TYR A 23 1.715 1.774 -2.244 1.00 0.25 C ATOM 345 O TYR A 23 0.578 1.456 -1.893 1.00 0.33 O ATOM 346 CB TYR A 23 3.021 -0.274 -2.713 1.00 0.25 C ATOM 347 CG TYR A 23 3.314 -1.364 -3.709 1.00 0.25 C ATOM 348 CD1 TYR A 23 4.016 -1.096 -4.874 1.00 1.16 C ATOM 349 CD2 TYR A 23 2.891 -2.663 -3.479 1.00 1.26 C ATOM 350 CE1 TYR A 23 4.291 -2.098 -5.785 1.00 1.18 C ATOM 351 CE2 TYR A 23 3.160 -3.671 -4.381 1.00 1.26 C ATOM 352 CZ TYR A 23 3.861 -3.384 -5.534 1.00 0.36 C ATOM 353 OH TYR A 23 4.132 -4.386 -6.437 1.00 0.44 O ATOM 354 H TYR A 23 4.431 1.444 -3.907 1.00 0.30 H ATOM 355 HA TYR A 23 1.736 0.714 -4.097 1.00 0.26 H ATOM 356 HB2 TYR A 23 3.946 -0.028 -2.213 1.00 0.29 H ATOM 357 HB3 TYR A 23 2.320 -0.664 -1.989 1.00 0.27 H ATOM 358 HD1 TYR A 23 4.350 -0.085 -5.063 1.00 2.06 H ATOM 359 HD2 TYR A 23 2.341 -2.882 -2.577 1.00 2.17 H ATOM 360 HE1 TYR A 23 4.840 -1.871 -6.687 1.00 2.10 H ATOM 361 HE2 TYR A 23 2.823 -4.675 -4.178 1.00 2.17 H ATOM 362 HH TYR A 23 4.366 -5.189 -5.966 1.00 0.83 H ATOM 363 N ARG A 24 2.388 2.763 -1.683 1.00 0.25 N ATOM 364 CA ARG A 24 1.814 3.554 -0.593 1.00 0.29 C ATOM 365 C ARG A 24 0.784 4.569 -1.076 1.00 0.31 C ATOM 366 O ARG A 24 -0.372 4.543 -0.656 1.00 0.32 O ATOM 367 CB ARG A 24 2.918 4.296 0.169 1.00 0.35 C ATOM 368 CG ARG A 24 4.288 3.650 0.069 1.00 0.36 C ATOM 369 CD ARG A 24 5.269 4.270 1.049 1.00 0.31 C ATOM 370 NE ARG A 24 6.610 3.706 0.909 1.00 0.36 N ATOM 371 CZ ARG A 24 7.731 4.380 1.168 1.00 0.39 C ATOM 372 NH1 ARG A 24 7.680 5.639 1.588 1.00 0.38 N ATOM 373 NH2 ARG A 24 8.907 3.790 1.014 1.00 0.47 N ATOM 374 H ARG A 24 3.301 2.945 -1.987 1.00 0.28 H ATOM 375 HA ARG A 24 1.328 2.872 0.085 1.00 0.30 H ATOM 376 HB2 ARG A 24 2.994 5.297 -0.222 1.00 0.49 H ATOM 377 HB3 ARG A 24 2.646 4.349 1.212 1.00 0.61 H ATOM 378 HG2 ARG A 24 4.194 2.597 0.280 1.00 0.65 H ATOM 379 HG3 ARG A 24 4.665 3.784 -0.934 1.00 0.54 H ATOM 380 HD2 ARG A 24 5.313 5.333 0.867 1.00 0.33 H ATOM 381 HD3 ARG A 24 4.915 4.092 2.054 1.00 0.42 H ATOM 382 HE ARG A 24 6.680 2.772 0.608 1.00 0.40 H ATOM 383 HH11 ARG A 24 6.798 6.092 1.713 1.00 0.36 H ATOM 384 HH12 ARG A 24 8.526 6.136 1.779 1.00 0.42 H ATOM 385 HH21 ARG A 24 8.953 2.842 0.704 1.00 0.52 H ATOM 386 HH22 ARG A 24 9.749 4.295 1.207 1.00 0.50 H ATOM 387 N LEU A 25 1.219 5.484 -1.922 1.00 0.32 N ATOM 388 CA LEU A 25 0.347 6.538 -2.423 1.00 0.37 C ATOM 389 C LEU A 25 -0.303 6.179 -3.754 1.00 0.36 C ATOM 390 O LEU A 25 -1.468 6.499 -3.992 1.00 0.39 O ATOM 391 CB LEU A 25 1.155 7.824 -2.578 1.00 0.42 C ATOM 392 CG LEU A 25 2.092 8.161 -1.403 1.00 0.43 C ATOM 393 CD1 LEU A 25 1.494 7.720 -0.068 1.00 0.42 C ATOM 394 CD2 LEU A 25 3.463 7.528 -1.608 1.00 0.42 C ATOM 395 H LEU A 25 2.159 5.472 -2.196 1.00 0.32 H ATOM 396 HA LEU A 25 -0.430 6.701 -1.692 1.00 0.39 H ATOM 397 HB2 LEU A 25 1.754 7.733 -3.477 1.00 0.42 H ATOM 398 HB3 LEU A 25 0.466 8.644 -2.707 1.00 0.45 H ATOM 399 HG LEU A 25 2.226 9.232 -1.364 1.00 0.47 H ATOM 400 HD11 LEU A 25 1.689 8.474 0.679 1.00 1.09 H ATOM 401 HD12 LEU A 25 1.944 6.786 0.241 1.00 1.08 H ATOM 402 HD13 LEU A 25 0.429 7.587 -0.176 1.00 1.09 H ATOM 403 HD21 LEU A 25 3.730 6.950 -0.735 1.00 1.04 H ATOM 404 HD22 LEU A 25 4.198 8.304 -1.761 1.00 1.13 H ATOM 405 HD23 LEU A 25 3.438 6.883 -2.473 1.00 1.06 H ATOM 406 N ASN A 26 0.464 5.551 -4.629 1.00 0.34 N ATOM 407 CA ASN A 26 -0.025 5.191 -5.952 1.00 0.36 C ATOM 408 C ASN A 26 -1.038 4.046 -5.907 1.00 0.32 C ATOM 409 O ASN A 26 -2.018 4.056 -6.652 1.00 0.38 O ATOM 410 CB ASN A 26 1.155 4.825 -6.844 1.00 0.37 C ATOM 411 CG ASN A 26 0.941 5.236 -8.287 1.00 0.54 C ATOM 412 OD1 ASN A 26 0.028 4.749 -8.955 1.00 1.22 O ATOM 413 ND2 ASN A 26 1.784 6.138 -8.778 1.00 1.28 N ATOM 414 H ASN A 26 1.393 5.349 -4.390 1.00 0.32 H ATOM 415 HA ASN A 26 -0.511 6.061 -6.366 1.00 0.42 H ATOM 416 HB2 ASN A 26 2.038 5.328 -6.471 1.00 0.36 H ATOM 417 HB3 ASN A 26 1.308 3.758 -6.808 1.00 0.34 H ATOM 418 HD21 ASN A 26 2.487 6.482 -8.188 1.00 1.98 H ATOM 419 HD22 ASN A 26 1.668 6.421 -9.709 1.00 1.37 H ATOM 420 N LEU A 27 -0.815 3.067 -5.035 1.00 0.27 N ATOM 421 CA LEU A 27 -1.738 1.940 -4.921 1.00 0.27 C ATOM 422 C LEU A 27 -2.716 2.163 -3.763 1.00 0.25 C ATOM 423 O LEU A 27 -3.556 3.060 -3.830 1.00 0.28 O ATOM 424 CB LEU A 27 -0.973 0.623 -4.756 1.00 0.29 C ATOM 425 CG LEU A 27 -0.497 -0.017 -6.060 1.00 0.63 C ATOM 426 CD1 LEU A 27 0.568 0.840 -6.721 1.00 0.91 C ATOM 427 CD2 LEU A 27 0.029 -1.420 -5.802 1.00 1.05 C ATOM 428 H LEU A 27 -0.024 3.105 -4.458 1.00 0.27 H ATOM 429 HA LEU A 27 -2.307 1.897 -5.839 1.00 0.32 H ATOM 430 HB2 LEU A 27 -0.113 0.806 -4.131 1.00 0.49 H ATOM 431 HB3 LEU A 27 -1.617 -0.083 -4.255 1.00 0.63 H ATOM 432 HG LEU A 27 -1.332 -0.093 -6.741 1.00 0.93 H ATOM 433 HD11 LEU A 27 1.204 0.215 -7.330 1.00 1.50 H ATOM 434 HD12 LEU A 27 1.161 1.326 -5.961 1.00 1.21 H ATOM 435 HD13 LEU A 27 0.095 1.586 -7.341 1.00 1.49 H ATOM 436 HD21 LEU A 27 1.051 -1.363 -5.458 1.00 1.42 H ATOM 437 HD22 LEU A 27 -0.012 -1.993 -6.716 1.00 1.50 H ATOM 438 HD23 LEU A 27 -0.578 -1.898 -5.049 1.00 1.69 H ATOM 439 N CYS A 28 -2.616 1.360 -2.702 1.00 0.25 N ATOM 440 CA CYS A 28 -3.505 1.510 -1.563 1.00 0.23 C ATOM 441 C CYS A 28 -2.922 2.484 -0.556 1.00 0.22 C ATOM 442 O CYS A 28 -1.707 2.565 -0.385 1.00 0.22 O ATOM 443 CB CYS A 28 -3.678 0.165 -0.894 1.00 0.25 C ATOM 444 SG CYS A 28 -2.113 -0.471 -0.256 1.00 0.50 S ATOM 445 H CYS A 28 -1.933 0.655 -2.679 1.00 0.29 H ATOM 446 HA CYS A 28 -4.463 1.867 -1.901 1.00 0.25 H ATOM 447 HB2 CYS A 28 -4.364 0.261 -0.065 1.00 0.40 H ATOM 448 HB3 CYS A 28 -4.063 -0.548 -1.607 1.00 0.26 H ATOM 449 N LYS A 29 -3.795 3.196 0.125 1.00 0.24 N ATOM 450 CA LYS A 29 -3.380 4.143 1.139 1.00 0.27 C ATOM 451 C LYS A 29 -3.115 3.449 2.470 1.00 0.27 C ATOM 452 O LYS A 29 -2.035 3.552 3.039 1.00 0.30 O ATOM 453 CB LYS A 29 -4.438 5.232 1.305 1.00 0.33 C ATOM 454 CG LYS A 29 -4.692 6.018 0.028 1.00 0.31 C ATOM 455 CD LYS A 29 -4.347 7.490 0.197 1.00 0.81 C ATOM 456 CE LYS A 29 -3.731 8.065 -1.069 1.00 0.97 C ATOM 457 NZ LYS A 29 -3.206 9.442 -0.856 1.00 1.30 N ATOM 458 H LYS A 29 -4.747 3.059 -0.039 1.00 0.26 H ATOM 459 HA LYS A 29 -2.462 4.601 0.802 1.00 0.27 H ATOM 460 HB2 LYS A 29 -5.365 4.773 1.614 1.00 0.39 H ATOM 461 HB3 LYS A 29 -4.113 5.922 2.071 1.00 0.39 H ATOM 462 HG2 LYS A 29 -4.083 5.605 -0.764 1.00 0.44 H ATOM 463 HG3 LYS A 29 -5.736 5.930 -0.235 1.00 0.56 H ATOM 464 HD2 LYS A 29 -5.248 8.037 0.427 1.00 1.21 H ATOM 465 HD3 LYS A 29 -3.642 7.593 1.009 1.00 1.28 H ATOM 466 HE2 LYS A 29 -2.920 7.425 -1.382 1.00 1.60 H ATOM 467 HE3 LYS A 29 -4.486 8.091 -1.841 1.00 1.31 H ATOM 468 HZ1 LYS A 29 -2.192 9.406 -0.628 1.00 1.81 H ATOM 469 HZ2 LYS A 29 -3.710 9.899 -0.070 1.00 1.53 H ATOM 470 HZ3 LYS A 29 -3.338 10.011 -1.716 1.00 1.88 H ATOM 471 N LYS A 30 -4.139 2.778 2.978 1.00 0.27 N ATOM 472 CA LYS A 30 -4.054 2.105 4.268 1.00 0.31 C ATOM 473 C LYS A 30 -3.416 0.718 4.210 1.00 0.29 C ATOM 474 O LYS A 30 -2.483 0.434 4.957 1.00 0.31 O ATOM 475 CB LYS A 30 -5.447 1.989 4.881 1.00 0.36 C ATOM 476 CG LYS A 30 -5.472 1.177 6.163 1.00 0.46 C ATOM 477 CD LYS A 30 -5.004 2.001 7.347 1.00 0.57 C ATOM 478 CE LYS A 30 -5.730 1.608 8.624 1.00 1.03 C ATOM 479 NZ LYS A 30 -5.802 2.737 9.592 1.00 1.66 N ATOM 480 H LYS A 30 -4.988 2.762 2.488 1.00 0.26 H ATOM 481 HA LYS A 30 -3.453 2.724 4.915 1.00 0.35 H ATOM 482 HB2 LYS A 30 -5.818 2.980 5.099 1.00 0.41 H ATOM 483 HB3 LYS A 30 -6.104 1.516 4.166 1.00 0.33 H ATOM 484 HG2 LYS A 30 -6.479 0.836 6.345 1.00 0.47 H ATOM 485 HG3 LYS A 30 -4.815 0.327 6.046 1.00 0.48 H ATOM 486 HD2 LYS A 30 -3.944 1.843 7.483 1.00 0.73 H ATOM 487 HD3 LYS A 30 -5.191 3.044 7.141 1.00 0.87 H ATOM 488 HE2 LYS A 30 -6.733 1.298 8.371 1.00 1.61 H ATOM 489 HE3 LYS A 30 -5.204 0.784 9.083 1.00 1.65 H ATOM 490 HZ1 LYS A 30 -6.139 2.395 10.515 1.00 2.20 H ATOM 491 HZ2 LYS A 30 -6.457 3.465 9.245 1.00 2.11 H ATOM 492 HZ3 LYS A 30 -4.861 3.163 9.715 1.00 2.11 H ATOM 493 N THR A 31 -3.961 -0.164 3.381 1.00 0.28 N ATOM 494 CA THR A 31 -3.464 -1.537 3.312 1.00 0.32 C ATOM 495 C THR A 31 -1.947 -1.608 3.182 1.00 0.30 C ATOM 496 O THR A 31 -1.323 -2.559 3.655 1.00 0.37 O ATOM 497 CB THR A 31 -4.120 -2.296 2.167 1.00 0.33 C ATOM 498 OG1 THR A 31 -5.531 -2.263 2.286 1.00 0.44 O ATOM 499 CG2 THR A 31 -3.697 -3.742 2.122 1.00 0.54 C ATOM 500 H THR A 31 -4.736 0.097 2.835 1.00 0.28 H ATOM 501 HA THR A 31 -3.742 -2.019 4.237 1.00 0.36 H ATOM 502 HB THR A 31 -3.842 -1.837 1.230 1.00 0.27 H ATOM 503 HG1 THR A 31 -5.789 -2.631 3.134 1.00 1.01 H ATOM 504 HG21 THR A 31 -2.623 -3.805 2.229 1.00 1.19 H ATOM 505 HG22 THR A 31 -3.996 -4.175 1.182 1.00 1.16 H ATOM 506 HG23 THR A 31 -4.168 -4.276 2.933 1.00 1.18 H ATOM 507 N CYS A 32 -1.357 -0.611 2.550 1.00 0.24 N ATOM 508 CA CYS A 32 0.100 -0.591 2.379 1.00 0.26 C ATOM 509 C CYS A 32 0.785 -0.227 3.692 1.00 0.24 C ATOM 510 O CYS A 32 1.988 -0.429 3.858 1.00 0.26 O ATOM 511 CB CYS A 32 0.520 0.385 1.271 1.00 0.31 C ATOM 512 SG CYS A 32 2.310 0.726 1.200 1.00 0.89 S ATOM 513 H CYS A 32 -1.910 0.124 2.198 1.00 0.22 H ATOM 514 HA CYS A 32 0.407 -1.588 2.099 1.00 0.31 H ATOM 515 HB2 CYS A 32 0.243 -0.030 0.317 1.00 0.47 H ATOM 516 HB3 CYS A 32 0.010 1.325 1.414 1.00 0.43 H ATOM 517 N GLY A 33 0.003 0.298 4.624 1.00 0.24 N ATOM 518 CA GLY A 33 0.535 0.675 5.921 1.00 0.29 C ATOM 519 C GLY A 33 1.062 2.100 5.965 1.00 0.35 C ATOM 520 O GLY A 33 2.161 2.342 6.464 1.00 0.46 O ATOM 521 H GLY A 33 -0.950 0.420 4.431 1.00 0.24 H ATOM 522 HA2 GLY A 33 -0.247 0.573 6.658 1.00 0.35 H ATOM 523 HA3 GLY A 33 1.340 0.000 6.174 1.00 0.29 H ATOM 524 N THR A 34 0.278 3.049 5.458 1.00 0.34 N ATOM 525 CA THR A 34 0.686 4.454 5.466 1.00 0.44 C ATOM 526 C THR A 34 -0.475 5.372 5.844 1.00 0.52 C ATOM 527 O THR A 34 -0.278 6.388 6.510 1.00 0.68 O ATOM 528 CB THR A 34 1.261 4.871 4.109 1.00 0.51 C ATOM 529 OG1 THR A 34 1.479 6.269 4.068 1.00 1.06 O ATOM 530 CG2 THR A 34 0.381 4.514 2.935 1.00 0.54 C ATOM 531 H THR A 34 -0.592 2.802 5.082 1.00 0.32 H ATOM 532 HA THR A 34 1.458 4.560 6.214 1.00 0.50 H ATOM 533 HB THR A 34 2.209 4.380 3.969 1.00 0.78 H ATOM 534 HG1 THR A 34 2.301 6.452 3.606 1.00 1.39 H ATOM 535 HG21 THR A 34 -0.535 5.083 2.987 1.00 1.16 H ATOM 536 HG22 THR A 34 0.155 3.458 2.961 1.00 1.26 H ATOM 537 HG23 THR A 34 0.896 4.748 2.015 1.00 1.18 H ATOM 538 N CYS A 35 -1.685 5.014 5.421 1.00 0.49 N ATOM 539 CA CYS A 35 -2.863 5.822 5.728 1.00 0.62 C ATOM 540 C CYS A 35 -3.169 5.790 7.222 1.00 0.95 C ATOM 541 O CYS A 35 -3.569 4.717 7.720 1.00 1.71 O ATOM 542 CB CYS A 35 -4.078 5.328 4.939 1.00 1.04 C ATOM 543 SG CYS A 35 -5.539 6.411 5.064 1.00 1.59 S ATOM 544 OXT CYS A 35 -3.005 6.838 7.881 1.00 1.64 O ATOM 545 H CYS A 35 -1.787 4.194 4.893 1.00 0.43 H ATOM 546 HA CYS A 35 -2.649 6.840 5.440 1.00 1.30 H ATOM 547 HB2 CYS A 35 -3.814 5.257 3.897 1.00 1.71 H ATOM 548 HB3 CYS A 35 -4.361 4.352 5.302 1.00 1.53 H