ATOM 45 N ASP A 5 -7.929 0.685 -0.476 1.00 0.20 N ATOM 46 CA ASP A 5 -6.774 0.025 -1.053 1.00 0.25 C ATOM 47 C ASP A 5 -7.022 -0.359 -2.504 1.00 0.23 C ATOM 48 O ASP A 5 -8.079 -0.881 -2.855 1.00 0.26 O ATOM 49 CB ASP A 5 -6.414 -1.217 -0.241 1.00 0.32 C ATOM 50 CG ASP A 5 -7.518 -2.256 -0.250 1.00 0.40 C ATOM 51 OD1 ASP A 5 -7.762 -2.854 -1.319 1.00 1.24 O ATOM 52 OD2 ASP A 5 -8.139 -2.472 0.812 1.00 1.11 O ATOM 53 H ASP A 5 -8.782 0.217 -0.464 1.00 0.23 H ATOM 54 HA ASP A 5 -5.951 0.719 -1.016 1.00 0.33 H ATOM 55 HB2 ASP A 5 -5.521 -1.664 -0.652 1.00 0.30 H ATOM 56 HB3 ASP A 5 -6.228 -0.925 0.780 1.00 0.38 H ATOM 57 N TYR A 6 -6.029 -0.091 -3.337 1.00 0.19 N ATOM 58 CA TYR A 6 -6.109 -0.399 -4.759 1.00 0.20 C ATOM 59 C TYR A 6 -5.891 -1.889 -5.027 1.00 0.19 C ATOM 60 O TYR A 6 -6.111 -2.359 -6.143 1.00 0.23 O ATOM 61 CB TYR A 6 -5.076 0.421 -5.535 1.00 0.20 C ATOM 62 CG TYR A 6 -5.518 0.787 -6.934 1.00 0.41 C ATOM 63 CD1 TYR A 6 -6.338 1.885 -7.159 1.00 1.24 C ATOM 64 CD2 TYR A 6 -5.114 0.033 -8.029 1.00 1.37 C ATOM 65 CE1 TYR A 6 -6.743 2.223 -8.437 1.00 1.33 C ATOM 66 CE2 TYR A 6 -5.515 0.365 -9.310 1.00 1.54 C ATOM 67 CZ TYR A 6 -6.330 1.459 -9.508 1.00 0.94 C ATOM 68 OH TYR A 6 -6.731 1.792 -10.781 1.00 1.21 O ATOM 69 H TYR A 6 -5.220 0.327 -2.982 1.00 0.18 H ATOM 70 HA TYR A 6 -7.097 -0.127 -5.100 1.00 0.23 H ATOM 71 HB2 TYR A 6 -4.879 1.337 -5.000 1.00 0.30 H ATOM 72 HB3 TYR A 6 -4.161 -0.148 -5.613 1.00 0.25 H ATOM 73 HD1 TYR A 6 -6.660 2.481 -6.318 1.00 2.12 H ATOM 74 HD2 TYR A 6 -4.477 -0.824 -7.871 1.00 2.21 H ATOM 75 HE1 TYR A 6 -7.381 3.081 -8.592 1.00 2.18 H ATOM 76 HE2 TYR A 6 -5.191 -0.234 -10.149 1.00 2.44 H ATOM 77 HH TYR A 6 -7.647 2.079 -10.764 1.00 1.49 H ATOM 78 N LEU A 7 -5.458 -2.633 -4.009 1.00 0.18 N ATOM 79 CA LEU A 7 -5.218 -4.065 -4.173 1.00 0.19 C ATOM 80 C LEU A 7 -5.536 -4.843 -2.903 1.00 0.20 C ATOM 81 O LEU A 7 -5.780 -4.262 -1.845 1.00 0.20 O ATOM 82 CB LEU A 7 -3.766 -4.332 -4.565 1.00 0.18 C ATOM 83 CG LEU A 7 -3.420 -4.044 -6.024 1.00 0.21 C ATOM 84 CD1 LEU A 7 -1.988 -3.547 -6.138 1.00 0.24 C ATOM 85 CD2 LEU A 7 -3.623 -5.295 -6.865 1.00 0.21 C ATOM 86 H LEU A 7 -5.295 -2.214 -3.136 1.00 0.19 H ATOM 87 HA LEU A 7 -5.862 -4.418 -4.964 1.00 0.21 H ATOM 88 HB2 LEU A 7 -3.129 -3.739 -3.935 1.00 0.17 H ATOM 89 HB3 LEU A 7 -3.553 -5.367 -4.373 1.00 0.18 H ATOM 90 HG LEU A 7 -4.075 -3.273 -6.400 1.00 0.24 H ATOM 91 HD11 LEU A 7 -1.573 -3.862 -7.083 1.00 1.03 H ATOM 92 HD12 LEU A 7 -1.401 -3.959 -5.330 1.00 1.07 H ATOM 93 HD13 LEU A 7 -1.975 -2.468 -6.079 1.00 1.01 H ATOM 94 HD21 LEU A 7 -4.547 -5.211 -7.418 1.00 1.04 H ATOM 95 HD22 LEU A 7 -3.668 -6.160 -6.218 1.00 1.02 H ATOM 96 HD23 LEU A 7 -2.800 -5.405 -7.555 1.00 1.01 H ATOM 97 N PRO A 8 -5.529 -6.183 -3.000 1.00 0.21 N ATOM 98 CA PRO A 8 -5.806 -7.078 -1.879 1.00 0.23 C ATOM 99 C PRO A 8 -4.818 -6.946 -0.750 1.00 0.21 C ATOM 100 O PRO A 8 -3.761 -6.326 -0.874 1.00 0.18 O ATOM 101 CB PRO A 8 -5.708 -8.476 -2.473 1.00 0.26 C ATOM 102 CG PRO A 8 -5.932 -8.261 -3.909 1.00 0.25 C ATOM 103 CD PRO A 8 -5.250 -6.957 -4.219 1.00 0.22 C ATOM 104 HA PRO A 8 -6.803 -6.924 -1.494 1.00 0.25 H ATOM 105 HB2 PRO A 8 -4.729 -8.890 -2.278 1.00 0.26 H ATOM 106 HB3 PRO A 8 -6.469 -9.111 -2.043 1.00 0.29 H ATOM 107 HG2 PRO A 8 -5.493 -9.069 -4.463 1.00 0.23 H ATOM 108 HG3 PRO A 8 -6.990 -8.188 -4.094 1.00 0.28 H ATOM 109 HD2 PRO A 8 -4.190 -7.105 -4.351 1.00 0.20 H ATOM 110 HD3 PRO A 8 -5.678 -6.486 -5.088 1.00 0.23 H ATOM 111 N LYS A 9 -5.191 -7.552 0.349 1.00 0.23 N ATOM 112 CA LYS A 9 -4.371 -7.550 1.554 1.00 0.23 C ATOM 113 C LYS A 9 -3.000 -8.170 1.286 1.00 0.22 C ATOM 114 O LYS A 9 -2.046 -7.933 2.028 1.00 0.22 O ATOM 115 CB LYS A 9 -5.077 -8.315 2.674 1.00 0.26 C ATOM 116 CG LYS A 9 -6.514 -7.875 2.900 1.00 0.30 C ATOM 117 CD LYS A 9 -6.643 -6.998 4.136 1.00 1.00 C ATOM 118 CE LYS A 9 -7.198 -7.778 5.318 1.00 1.48 C ATOM 119 NZ LYS A 9 -8.125 -6.954 6.141 1.00 2.12 N ATOM 120 H LYS A 9 -6.047 -8.036 0.336 1.00 0.25 H ATOM 121 HA LYS A 9 -4.235 -6.524 1.861 1.00 0.22 H ATOM 122 HB2 LYS A 9 -5.079 -9.367 2.429 1.00 0.28 H ATOM 123 HB3 LYS A 9 -4.528 -8.171 3.593 1.00 0.27 H ATOM 124 HG2 LYS A 9 -6.849 -7.316 2.039 1.00 0.86 H ATOM 125 HG3 LYS A 9 -7.133 -8.752 3.025 1.00 0.79 H ATOM 126 HD2 LYS A 9 -5.669 -6.614 4.397 1.00 1.52 H ATOM 127 HD3 LYS A 9 -7.309 -6.177 3.914 1.00 1.72 H ATOM 128 HE2 LYS A 9 -7.731 -8.640 4.945 1.00 2.03 H ATOM 129 HE3 LYS A 9 -6.374 -8.105 5.935 1.00 1.89 H ATOM 130 HZ1 LYS A 9 -8.280 -7.407 7.065 1.00 2.47 H ATOM 131 HZ2 LYS A 9 -9.040 -6.855 5.658 1.00 2.52 H ATOM 132 HZ3 LYS A 9 -7.722 -6.008 6.294 1.00 2.60 H ATOM 133 N SER A 10 -2.911 -8.973 0.228 1.00 0.22 N ATOM 134 CA SER A 10 -1.659 -9.636 -0.130 1.00 0.23 C ATOM 135 C SER A 10 -0.765 -8.737 -0.984 1.00 0.22 C ATOM 136 O SER A 10 0.451 -8.703 -0.794 1.00 0.24 O ATOM 137 CB SER A 10 -1.949 -10.938 -0.878 1.00 0.27 C ATOM 138 OG SER A 10 -2.037 -12.033 0.018 1.00 1.24 O ATOM 139 H SER A 10 -3.706 -9.131 -0.321 1.00 0.23 H ATOM 140 HA SER A 10 -1.139 -9.871 0.786 1.00 0.23 H ATOM 141 HB2 SER A 10 -2.885 -10.847 -1.408 1.00 1.04 H ATOM 142 HB3 SER A 10 -1.154 -11.130 -1.584 1.00 0.97 H ATOM 143 HG SER A 10 -1.185 -12.173 0.437 1.00 1.69 H ATOM 144 N GLU A 11 -1.366 -8.017 -1.927 1.00 0.23 N ATOM 145 CA GLU A 11 -0.616 -7.131 -2.805 1.00 0.26 C ATOM 146 C GLU A 11 -0.047 -5.962 -2.028 1.00 0.26 C ATOM 147 O GLU A 11 1.068 -5.507 -2.279 1.00 0.30 O ATOM 148 CB GLU A 11 -1.543 -6.598 -3.891 1.00 0.31 C ATOM 149 CG GLU A 11 -1.242 -7.122 -5.282 1.00 0.38 C ATOM 150 CD GLU A 11 -0.454 -6.136 -6.121 1.00 0.53 C ATOM 151 OE1 GLU A 11 0.354 -5.378 -5.543 1.00 1.31 O ATOM 152 OE2 GLU A 11 -0.644 -6.122 -7.355 1.00 1.16 O ATOM 153 H GLU A 11 -2.337 -8.081 -2.038 1.00 0.22 H ATOM 154 HA GLU A 11 0.189 -7.690 -3.253 1.00 0.28 H ATOM 155 HB2 GLU A 11 -2.553 -6.879 -3.640 1.00 0.26 H ATOM 156 HB3 GLU A 11 -1.477 -5.518 -3.908 1.00 0.38 H ATOM 157 HG2 GLU A 11 -0.673 -8.036 -5.194 1.00 0.38 H ATOM 158 HG3 GLU A 11 -2.180 -7.328 -5.778 1.00 0.38 H ATOM 159 N CYS A 12 -0.834 -5.483 -1.085 1.00 0.26 N ATOM 160 CA CYS A 12 -0.439 -4.364 -0.258 1.00 0.30 C ATOM 161 C CYS A 12 0.080 -4.861 1.077 1.00 0.24 C ATOM 162 O CYS A 12 -0.687 -5.311 1.929 1.00 0.28 O ATOM 163 CB CYS A 12 -1.623 -3.431 -0.064 1.00 0.46 C ATOM 164 SG CYS A 12 -1.785 -2.174 -1.350 1.00 0.80 S ATOM 165 H CYS A 12 -1.713 -5.894 -0.945 1.00 0.24 H ATOM 166 HA CYS A 12 0.352 -3.834 -0.767 1.00 0.35 H ATOM 167 HB2 CYS A 12 -2.529 -4.009 -0.070 1.00 0.48 H ATOM 168 HB3 CYS A 12 -1.528 -2.910 0.886 1.00 0.45 H ATOM 169 N THR A 13 1.389 -4.790 1.246 1.00 0.22 N ATOM 170 CA THR A 13 2.022 -5.246 2.468 1.00 0.20 C ATOM 171 C THR A 13 2.724 -4.092 3.164 1.00 0.22 C ATOM 172 O THR A 13 3.301 -3.227 2.508 1.00 0.23 O ATOM 173 CB THR A 13 3.016 -6.368 2.143 1.00 0.19 C ATOM 174 OG1 THR A 13 3.820 -6.019 1.033 1.00 0.19 O ATOM 175 CG2 THR A 13 2.339 -7.683 1.812 1.00 0.21 C ATOM 176 H THR A 13 1.948 -4.426 0.523 1.00 0.28 H ATOM 177 HA THR A 13 1.253 -5.634 3.120 1.00 0.25 H ATOM 178 HB THR A 13 3.669 -6.527 2.992 1.00 0.24 H ATOM 179 HG1 THR A 13 4.739 -6.216 1.228 1.00 0.78 H ATOM 180 HG21 THR A 13 3.082 -8.463 1.738 1.00 1.03 H ATOM 181 HG22 THR A 13 1.816 -7.593 0.865 1.00 1.04 H ATOM 182 HG23 THR A 13 1.632 -7.930 2.589 1.00 1.04 H ATOM 183 N GLN A 14 2.680 -4.080 4.494 1.00 0.29 N ATOM 184 CA GLN A 14 3.331 -3.023 5.262 1.00 0.33 C ATOM 185 C GLN A 14 4.753 -2.820 4.751 1.00 0.28 C ATOM 186 O GLN A 14 5.295 -1.716 4.791 1.00 0.31 O ATOM 187 CB GLN A 14 3.333 -3.369 6.751 1.00 0.42 C ATOM 188 CG GLN A 14 1.968 -3.218 7.406 1.00 0.72 C ATOM 189 CD GLN A 14 1.032 -4.367 7.081 1.00 0.88 C ATOM 190 OE1 GLN A 14 1.051 -5.403 7.745 1.00 1.81 O ATOM 191 NE2 GLN A 14 0.204 -4.192 6.053 1.00 0.77 N ATOM 192 H GLN A 14 2.209 -4.798 4.966 1.00 0.34 H ATOM 193 HA GLN A 14 2.775 -2.110 5.110 1.00 0.35 H ATOM 194 HB2 GLN A 14 3.657 -4.393 6.872 1.00 0.67 H ATOM 195 HB3 GLN A 14 4.028 -2.718 7.261 1.00 0.49 H ATOM 196 HG2 GLN A 14 2.100 -3.174 8.477 1.00 1.40 H ATOM 197 HG3 GLN A 14 1.519 -2.298 7.061 1.00 1.41 H ATOM 198 HE21 GLN A 14 0.240 -3.342 5.566 1.00 0.91 H ATOM 199 HE22 GLN A 14 -0.411 -4.921 5.825 1.00 1.26 H ATOM 200 N PHE A 15 5.326 -3.901 4.234 1.00 0.25 N ATOM 201 CA PHE A 15 6.660 -3.872 3.662 1.00 0.26 C ATOM 202 C PHE A 15 6.722 -2.901 2.489 1.00 0.22 C ATOM 203 O PHE A 15 7.704 -2.182 2.312 1.00 0.24 O ATOM 204 CB PHE A 15 7.046 -5.279 3.205 1.00 0.29 C ATOM 205 CG PHE A 15 7.973 -5.986 4.150 1.00 0.37 C ATOM 206 CD1 PHE A 15 9.327 -5.698 4.145 1.00 1.25 C ATOM 207 CD2 PHE A 15 7.495 -6.934 5.039 1.00 1.14 C ATOM 208 CE1 PHE A 15 10.190 -6.341 5.008 1.00 1.29 C ATOM 209 CE2 PHE A 15 8.354 -7.582 5.907 1.00 1.17 C ATOM 210 CZ PHE A 15 9.704 -7.285 5.892 1.00 0.52 C ATOM 211 H PHE A 15 4.824 -4.740 4.211 1.00 0.26 H ATOM 212 HA PHE A 15 7.348 -3.547 4.428 1.00 0.31 H ATOM 213 HB2 PHE A 15 6.148 -5.875 3.123 1.00 0.27 H ATOM 214 HB3 PHE A 15 7.517 -5.226 2.239 1.00 0.29 H ATOM 215 HD1 PHE A 15 9.709 -4.959 3.455 1.00 2.10 H ATOM 216 HD2 PHE A 15 6.441 -7.167 5.051 1.00 2.00 H ATOM 217 HE1 PHE A 15 11.244 -6.105 4.992 1.00 2.15 H ATOM 218 HE2 PHE A 15 7.970 -8.319 6.597 1.00 2.01 H ATOM 219 HZ PHE A 15 10.377 -7.790 6.569 1.00 0.58 H ATOM 220 N ARG A 16 5.660 -2.889 1.691 1.00 0.19 N ATOM 221 CA ARG A 16 5.577 -2.013 0.528 1.00 0.20 C ATOM 222 C ARG A 16 5.781 -0.556 0.917 1.00 0.17 C ATOM 223 O ARG A 16 6.557 0.153 0.285 1.00 0.19 O ATOM 224 CB ARG A 16 4.230 -2.197 -0.172 1.00 0.32 C ATOM 225 CG ARG A 16 3.972 -3.622 -0.609 1.00 0.24 C ATOM 226 CD ARG A 16 4.897 -4.037 -1.742 1.00 0.40 C ATOM 227 NE ARG A 16 6.159 -4.580 -1.247 1.00 0.78 N ATOM 228 CZ ARG A 16 7.067 -5.170 -2.021 1.00 0.89 C ATOM 229 NH1 ARG A 16 6.856 -5.295 -3.326 1.00 1.49 N ATOM 230 NH2 ARG A 16 8.188 -5.637 -1.490 1.00 1.39 N ATOM 231 H ARG A 16 4.910 -3.488 1.889 1.00 0.18 H ATOM 232 HA ARG A 16 6.365 -2.293 -0.153 1.00 0.26 H ATOM 233 HB2 ARG A 16 3.440 -1.904 0.500 1.00 0.54 H ATOM 234 HB3 ARG A 16 4.196 -1.569 -1.043 1.00 0.47 H ATOM 235 HG2 ARG A 16 4.137 -4.274 0.231 1.00 0.23 H ATOM 236 HG3 ARG A 16 2.947 -3.705 -0.940 1.00 0.37 H ATOM 237 HD2 ARG A 16 4.401 -4.789 -2.338 1.00 0.87 H ATOM 238 HD3 ARG A 16 5.103 -3.172 -2.356 1.00 0.69 H ATOM 239 HE ARG A 16 6.340 -4.501 -0.287 1.00 1.52 H ATOM 240 HH11 ARG A 16 6.013 -4.945 -3.733 1.00 1.80 H ATOM 241 HH12 ARG A 16 7.542 -5.740 -3.902 1.00 1.98 H ATOM 242 HH21 ARG A 16 8.352 -5.545 -0.508 1.00 1.96 H ATOM 243 HH22 ARG A 16 8.870 -6.081 -2.071 1.00 1.54 H ATOM 244 N CYS A 17 5.090 -0.107 1.956 1.00 0.24 N ATOM 245 CA CYS A 17 5.224 1.275 2.402 1.00 0.33 C ATOM 246 C CYS A 17 6.594 1.522 3.019 1.00 0.34 C ATOM 247 O CYS A 17 7.064 2.656 3.084 1.00 0.45 O ATOM 248 CB CYS A 17 4.132 1.631 3.402 1.00 0.48 C ATOM 249 SG CYS A 17 2.553 2.109 2.634 1.00 0.58 S ATOM 250 H CYS A 17 4.483 -0.713 2.431 1.00 0.27 H ATOM 251 HA CYS A 17 5.123 1.905 1.537 1.00 0.36 H ATOM 252 HB2 CYS A 17 3.944 0.783 4.040 1.00 0.92 H ATOM 253 HB3 CYS A 17 4.473 2.459 4.000 1.00 0.83 H ATOM 254 N ARG A 18 7.228 0.458 3.479 1.00 0.30 N ATOM 255 CA ARG A 18 8.545 0.567 4.093 1.00 0.40 C ATOM 256 C ARG A 18 9.591 1.005 3.098 1.00 0.41 C ATOM 257 O ARG A 18 10.415 1.880 3.365 1.00 0.51 O ATOM 258 CB ARG A 18 8.997 -0.793 4.629 1.00 0.45 C ATOM 259 CG ARG A 18 9.462 -0.758 6.076 1.00 0.60 C ATOM 260 CD ARG A 18 10.879 -1.289 6.223 1.00 1.08 C ATOM 261 NE ARG A 18 11.349 -1.223 7.605 1.00 1.48 N ATOM 262 CZ ARG A 18 12.575 -1.572 7.988 1.00 2.14 C ATOM 263 NH1 ARG A 18 13.456 -2.012 7.098 1.00 2.62 N ATOM 264 NH2 ARG A 18 12.922 -1.481 9.265 1.00 2.87 N ATOM 265 H ARG A 18 6.797 -0.417 3.412 1.00 0.26 H ATOM 266 HA ARG A 18 8.500 1.265 4.895 1.00 0.48 H ATOM 267 HB2 ARG A 18 8.176 -1.490 4.550 1.00 0.57 H ATOM 268 HB3 ARG A 18 9.829 -1.149 4.008 1.00 0.57 H ATOM 269 HG2 ARG A 18 9.433 0.262 6.429 1.00 1.04 H ATOM 270 HG3 ARG A 18 8.796 -1.366 6.672 1.00 1.01 H ATOM 271 HD2 ARG A 18 10.900 -2.318 5.895 1.00 1.66 H ATOM 272 HD3 ARG A 18 11.536 -0.701 5.600 1.00 1.70 H ATOM 273 HE ARG A 18 10.719 -0.901 8.282 1.00 1.87 H ATOM 274 HH11 ARG A 18 13.202 -2.083 6.134 1.00 2.57 H ATOM 275 HH12 ARG A 18 14.376 -2.273 7.392 1.00 3.34 H ATOM 276 HH21 ARG A 18 12.262 -1.150 9.939 1.00 3.09 H ATOM 277 HH22 ARG A 18 13.843 -1.744 9.553 1.00 3.44 H ATOM 278 N THR A 19 9.593 0.309 1.989 1.00 0.36 N ATOM 279 CA THR A 19 10.580 0.512 0.959 1.00 0.41 C ATOM 280 C THR A 19 9.994 1.003 -0.371 1.00 0.38 C ATOM 281 O THR A 19 10.658 1.722 -1.117 1.00 0.59 O ATOM 282 CB THR A 19 11.300 -0.817 0.819 1.00 0.48 C ATOM 283 OG1 THR A 19 12.190 -0.825 -0.283 1.00 0.56 O ATOM 284 CG2 THR A 19 10.345 -1.979 0.680 1.00 0.46 C ATOM 285 H THR A 19 8.941 -0.413 1.884 1.00 0.31 H ATOM 286 HA THR A 19 11.285 1.245 1.316 1.00 0.48 H ATOM 287 HB THR A 19 11.861 -0.985 1.735 1.00 0.55 H ATOM 288 HG1 THR A 19 11.687 -0.839 -1.100 1.00 1.06 H ATOM 289 HG21 THR A 19 10.901 -2.892 0.534 1.00 1.13 H ATOM 290 HG22 THR A 19 9.692 -1.811 -0.163 1.00 1.04 H ATOM 291 HG23 THR A 19 9.754 -2.056 1.587 1.00 1.15 H ATOM 292 N SER A 20 8.761 0.603 -0.671 1.00 0.33 N ATOM 293 CA SER A 20 8.110 0.997 -1.924 1.00 0.32 C ATOM 294 C SER A 20 7.173 2.190 -1.730 1.00 0.28 C ATOM 295 O SER A 20 6.193 2.110 -0.992 1.00 0.42 O ATOM 296 CB SER A 20 7.329 -0.183 -2.505 1.00 0.35 C ATOM 297 OG SER A 20 7.345 -0.158 -3.922 1.00 0.73 O ATOM 298 H SER A 20 8.281 0.020 -0.046 1.00 0.47 H ATOM 299 HA SER A 20 8.884 1.277 -2.622 1.00 0.40 H ATOM 300 HB2 SER A 20 7.775 -1.108 -2.170 1.00 0.64 H ATOM 301 HB3 SER A 20 6.304 -0.135 -2.168 1.00 0.58 H ATOM 302 HG SER A 20 6.989 -0.983 -4.261 1.00 0.97 H ATOM 303 N MET A 21 7.480 3.294 -2.405 1.00 0.27 N ATOM 304 CA MET A 21 6.670 4.508 -2.313 1.00 0.25 C ATOM 305 C MET A 21 5.414 4.416 -3.183 1.00 0.25 C ATOM 306 O MET A 21 4.359 4.939 -2.825 1.00 0.38 O ATOM 307 CB MET A 21 7.498 5.725 -2.737 1.00 0.35 C ATOM 308 CG MET A 21 8.045 6.531 -1.571 1.00 0.42 C ATOM 309 SD MET A 21 9.643 7.283 -1.936 1.00 0.95 S ATOM 310 CE MET A 21 10.602 5.838 -2.382 1.00 1.66 C ATOM 311 H MET A 21 8.273 3.294 -2.981 1.00 0.40 H ATOM 312 HA MET A 21 6.372 4.631 -1.283 1.00 0.26 H ATOM 313 HB2 MET A 21 8.333 5.386 -3.333 1.00 0.43 H ATOM 314 HB3 MET A 21 6.881 6.376 -3.338 1.00 0.42 H ATOM 315 HG2 MET A 21 7.342 7.314 -1.331 1.00 0.66 H ATOM 316 HG3 MET A 21 8.157 5.877 -0.720 1.00 0.42 H ATOM 317 HE1 MET A 21 11.644 6.014 -2.156 1.00 2.14 H ATOM 318 HE2 MET A 21 10.492 5.645 -3.439 1.00 2.17 H ATOM 319 HE3 MET A 21 10.251 4.985 -1.821 1.00 2.19 H ATOM 320 N LYS A 22 5.543 3.767 -4.334 1.00 0.28 N ATOM 321 CA LYS A 22 4.432 3.623 -5.273 1.00 0.35 C ATOM 322 C LYS A 22 3.230 2.910 -4.648 1.00 0.32 C ATOM 323 O LYS A 22 2.093 3.360 -4.780 1.00 0.47 O ATOM 324 CB LYS A 22 4.901 2.857 -6.513 1.00 0.45 C ATOM 325 CG LYS A 22 3.829 2.692 -7.576 1.00 0.58 C ATOM 326 CD LYS A 22 3.906 3.792 -8.622 1.00 1.33 C ATOM 327 CE LYS A 22 4.740 3.366 -9.820 1.00 1.62 C ATOM 328 NZ LYS A 22 5.557 4.489 -10.356 1.00 2.35 N ATOM 329 H LYS A 22 6.415 3.386 -4.568 1.00 0.37 H ATOM 330 HA LYS A 22 4.126 4.613 -5.574 1.00 0.39 H ATOM 331 HB2 LYS A 22 5.734 3.386 -6.952 1.00 0.48 H ATOM 332 HB3 LYS A 22 5.231 1.875 -6.209 1.00 0.47 H ATOM 333 HG2 LYS A 22 3.964 1.737 -8.063 1.00 1.38 H ATOM 334 HG3 LYS A 22 2.859 2.722 -7.104 1.00 1.13 H ATOM 335 HD2 LYS A 22 2.907 4.027 -8.958 1.00 1.94 H ATOM 336 HD3 LYS A 22 4.354 4.669 -8.176 1.00 2.10 H ATOM 337 HE2 LYS A 22 5.399 2.566 -9.517 1.00 1.80 H ATOM 338 HE3 LYS A 22 4.077 3.011 -10.595 1.00 2.10 H ATOM 339 HZ1 LYS A 22 6.269 4.780 -9.656 1.00 2.86 H ATOM 340 HZ2 LYS A 22 4.948 5.304 -10.573 1.00 2.67 H ATOM 341 HZ3 LYS A 22 6.043 4.194 -11.227 1.00 2.77 H ATOM 342 N TYR A 23 3.486 1.787 -3.990 1.00 0.24 N ATOM 343 CA TYR A 23 2.426 0.993 -3.367 1.00 0.23 C ATOM 344 C TYR A 23 1.678 1.764 -2.285 1.00 0.25 C ATOM 345 O TYR A 23 0.530 1.454 -1.968 1.00 0.33 O ATOM 346 CB TYR A 23 3.019 -0.264 -2.741 1.00 0.25 C ATOM 347 CG TYR A 23 3.334 -1.353 -3.732 1.00 0.25 C ATOM 348 CD1 TYR A 23 4.034 -1.077 -4.896 1.00 1.16 C ATOM 349 CD2 TYR A 23 2.936 -2.659 -3.496 1.00 1.26 C ATOM 350 CE1 TYR A 23 4.330 -2.078 -5.803 1.00 1.18 C ATOM 351 CE2 TYR A 23 3.225 -3.665 -4.393 1.00 1.26 C ATOM 352 CZ TYR A 23 3.923 -3.371 -5.546 1.00 0.36 C ATOM 353 OH TYR A 23 4.214 -4.372 -6.444 1.00 0.44 O ATOM 354 H TYR A 23 4.412 1.471 -3.932 1.00 0.30 H ATOM 355 HA TYR A 23 1.731 0.703 -4.137 1.00 0.26 H ATOM 356 HB2 TYR A 23 3.937 -0.005 -2.235 1.00 0.29 H ATOM 357 HB3 TYR A 23 2.319 -0.663 -2.021 1.00 0.27 H ATOM 358 HD1 TYR A 23 4.350 -0.062 -5.089 1.00 2.06 H ATOM 359 HD2 TYR A 23 2.388 -2.884 -2.594 1.00 2.17 H ATOM 360 HE1 TYR A 23 4.876 -1.846 -6.704 1.00 2.10 H ATOM 361 HE2 TYR A 23 2.906 -4.675 -4.186 1.00 2.17 H ATOM 362 HH TYR A 23 3.398 -4.733 -6.799 1.00 0.83 H ATOM 363 N ARG A 24 2.349 2.736 -1.693 1.00 0.25 N ATOM 364 CA ARG A 24 1.762 3.520 -0.604 1.00 0.29 C ATOM 365 C ARG A 24 0.709 4.511 -1.088 1.00 0.31 C ATOM 366 O ARG A 24 -0.443 4.466 -0.662 1.00 0.32 O ATOM 367 CB ARG A 24 2.852 4.286 0.153 1.00 0.35 C ATOM 368 CG ARG A 24 4.230 3.655 0.066 1.00 0.36 C ATOM 369 CD ARG A 24 5.198 4.293 1.047 1.00 0.31 C ATOM 370 NE ARG A 24 6.547 3.748 0.914 1.00 0.36 N ATOM 371 CZ ARG A 24 7.656 4.437 1.179 1.00 0.39 C ATOM 372 NH1 ARG A 24 7.585 5.694 1.603 1.00 0.38 N ATOM 373 NH2 ARG A 24 8.842 3.865 1.028 1.00 0.47 N ATOM 374 H ARG A 24 3.271 2.911 -1.973 1.00 0.28 H ATOM 375 HA ARG A 24 1.291 2.831 0.077 1.00 0.30 H ATOM 376 HB2 ARG A 24 2.916 5.283 -0.250 1.00 0.49 H ATOM 377 HB3 ARG A 24 2.574 4.347 1.195 1.00 0.61 H ATOM 378 HG2 ARG A 24 4.146 2.603 0.284 1.00 0.65 H ATOM 379 HG3 ARG A 24 4.611 3.787 -0.935 1.00 0.54 H ATOM 380 HD2 ARG A 24 5.228 5.356 0.861 1.00 0.33 H ATOM 381 HD3 ARG A 24 4.844 4.114 2.052 1.00 0.42 H ATOM 382 HE ARG A 24 6.632 2.816 0.611 1.00 0.40 H ATOM 383 HH11 ARG A 24 6.696 6.132 1.727 1.00 0.36 H ATOM 384 HH12 ARG A 24 8.423 6.203 1.797 1.00 0.42 H ATOM 385 HH21 ARG A 24 8.902 2.918 0.716 1.00 0.52 H ATOM 386 HH22 ARG A 24 9.675 4.381 1.226 1.00 0.50 H ATOM 387 N LEU A 25 1.121 5.431 -1.942 1.00 0.32 N ATOM 388 CA LEU A 25 0.223 6.462 -2.444 1.00 0.37 C ATOM 389 C LEU A 25 -0.430 6.080 -3.767 1.00 0.36 C ATOM 390 O LEU A 25 -1.606 6.367 -3.995 1.00 0.39 O ATOM 391 CB LEU A 25 1.002 7.765 -2.614 1.00 0.42 C ATOM 392 CG LEU A 25 1.945 8.127 -1.451 1.00 0.43 C ATOM 393 CD1 LEU A 25 1.370 7.680 -0.108 1.00 0.42 C ATOM 394 CD2 LEU A 25 3.326 7.520 -1.669 1.00 0.42 C ATOM 395 H LEU A 25 2.059 5.436 -2.222 1.00 0.32 H ATOM 396 HA LEU A 25 -0.552 6.615 -1.708 1.00 0.39 H ATOM 397 HB2 LEU A 25 1.592 7.683 -3.520 1.00 0.42 H ATOM 398 HB3 LEU A 25 0.294 8.569 -2.739 1.00 0.45 H ATOM 399 HG LEU A 25 2.057 9.200 -1.419 1.00 0.47 H ATOM 400 HD11 LEU A 25 1.842 6.756 0.200 1.00 1.09 H ATOM 401 HD12 LEU A 25 0.307 7.525 -0.202 1.00 1.08 H ATOM 402 HD13 LEU A 25 1.558 8.441 0.634 1.00 1.09 H ATOM 403 HD21 LEU A 25 4.043 8.311 -1.830 1.00 1.04 H ATOM 404 HD22 LEU A 25 3.305 6.873 -2.532 1.00 1.13 H ATOM 405 HD23 LEU A 25 3.612 6.949 -0.797 1.00 1.06 H ATOM 406 N ASN A 26 0.344 5.468 -4.647 1.00 0.34 N ATOM 407 CA ASN A 26 -0.151 5.087 -5.963 1.00 0.36 C ATOM 408 C ASN A 26 -1.131 3.916 -5.902 1.00 0.32 C ATOM 409 O ASN A 26 -2.119 3.894 -6.635 1.00 0.38 O ATOM 410 CB ASN A 26 1.028 4.751 -6.868 1.00 0.37 C ATOM 411 CG ASN A 26 0.777 5.133 -8.313 1.00 0.54 C ATOM 412 OD1 ASN A 26 0.769 6.314 -8.663 1.00 1.22 O ATOM 413 ND2 ASN A 26 0.570 4.134 -9.163 1.00 1.28 N ATOM 414 H ASN A 26 1.281 5.291 -4.418 1.00 0.32 H ATOM 415 HA ASN A 26 -0.666 5.942 -6.376 1.00 0.42 H ATOM 416 HB2 ASN A 26 1.899 5.288 -6.516 1.00 0.36 H ATOM 417 HB3 ASN A 26 1.219 3.690 -6.820 1.00 0.34 H ATOM 418 HD21 ASN A 26 0.591 3.218 -8.814 1.00 1.98 H ATOM 419 HD22 ASN A 26 0.406 4.353 -10.104 1.00 1.37 H ATOM 420 N LEU A 27 -0.869 2.947 -5.029 1.00 0.27 N ATOM 421 CA LEU A 27 -1.758 1.795 -4.899 1.00 0.27 C ATOM 422 C LEU A 27 -2.765 2.020 -3.767 1.00 0.25 C ATOM 423 O LEU A 27 -3.660 2.856 -3.893 1.00 0.28 O ATOM 424 CB LEU A 27 -0.954 0.510 -4.671 1.00 0.29 C ATOM 425 CG LEU A 27 -0.365 -0.120 -5.933 1.00 0.63 C ATOM 426 CD1 LEU A 27 0.665 0.803 -6.562 1.00 0.91 C ATOM 427 CD2 LEU A 27 0.251 -1.473 -5.611 1.00 1.05 C ATOM 428 H LEU A 27 -0.073 3.010 -4.462 1.00 0.27 H ATOM 429 HA LEU A 27 -2.305 1.702 -5.826 1.00 0.32 H ATOM 430 HB2 LEU A 27 -0.146 0.732 -3.990 1.00 0.49 H ATOM 431 HB3 LEU A 27 -1.603 -0.217 -4.207 1.00 0.63 H ATOM 432 HG LEU A 27 -1.156 -0.275 -6.652 1.00 0.93 H ATOM 433 HD11 LEU A 27 0.206 1.360 -7.364 1.00 1.50 H ATOM 434 HD12 LEU A 27 1.483 0.215 -6.953 1.00 1.21 H ATOM 435 HD13 LEU A 27 1.038 1.487 -5.815 1.00 1.49 H ATOM 436 HD21 LEU A 27 1.231 -1.329 -5.181 1.00 1.42 H ATOM 437 HD22 LEU A 27 0.337 -2.054 -6.517 1.00 1.50 H ATOM 438 HD23 LEU A 27 -0.378 -1.996 -4.906 1.00 1.69 H ATOM 439 N CYS A 28 -2.623 1.288 -2.661 1.00 0.25 N ATOM 440 CA CYS A 28 -3.528 1.440 -1.534 1.00 0.23 C ATOM 441 C CYS A 28 -2.955 2.415 -0.520 1.00 0.22 C ATOM 442 O CYS A 28 -1.742 2.493 -0.336 1.00 0.22 O ATOM 443 CB CYS A 28 -3.709 0.097 -0.866 1.00 0.25 C ATOM 444 SG CYS A 28 -2.149 -0.546 -0.225 1.00 0.50 S ATOM 445 H CYS A 28 -1.894 0.634 -2.596 1.00 0.29 H ATOM 446 HA CYS A 28 -4.481 1.799 -1.886 1.00 0.25 H ATOM 447 HB2 CYS A 28 -4.397 0.195 -0.039 1.00 0.40 H ATOM 448 HB3 CYS A 28 -4.096 -0.615 -1.580 1.00 0.26 H ATOM 449 N LYS A 29 -3.834 3.128 0.153 1.00 0.24 N ATOM 450 CA LYS A 29 -3.425 4.075 1.171 1.00 0.27 C ATOM 451 C LYS A 29 -3.168 3.380 2.502 1.00 0.27 C ATOM 452 O LYS A 29 -2.091 3.482 3.078 1.00 0.30 O ATOM 453 CB LYS A 29 -4.485 5.163 1.336 1.00 0.33 C ATOM 454 CG LYS A 29 -4.885 5.814 0.020 1.00 0.31 C ATOM 455 CD LYS A 29 -4.887 7.331 0.123 1.00 0.81 C ATOM 456 CE LYS A 29 -3.656 7.936 -0.532 1.00 0.97 C ATOM 457 NZ LYS A 29 -3.888 9.344 -0.957 1.00 1.30 N ATOM 458 H LYS A 29 -4.784 2.995 -0.020 1.00 0.26 H ATOM 459 HA LYS A 29 -2.506 4.535 0.841 1.00 0.27 H ATOM 460 HB2 LYS A 29 -5.366 4.727 1.782 1.00 0.39 H ATOM 461 HB3 LYS A 29 -4.100 5.930 1.991 1.00 0.39 H ATOM 462 HG2 LYS A 29 -4.182 5.515 -0.746 1.00 0.44 H ATOM 463 HG3 LYS A 29 -5.876 5.478 -0.249 1.00 0.56 H ATOM 464 HD2 LYS A 29 -5.768 7.714 -0.368 1.00 1.21 H ATOM 465 HD3 LYS A 29 -4.903 7.612 1.166 1.00 1.28 H ATOM 466 HE2 LYS A 29 -2.839 7.913 0.174 1.00 1.60 H ATOM 467 HE3 LYS A 29 -3.398 7.345 -1.399 1.00 1.31 H ATOM 468 HZ1 LYS A 29 -4.584 9.797 -0.330 1.00 1.81 H ATOM 469 HZ2 LYS A 29 -4.250 9.369 -1.932 1.00 1.53 H ATOM 470 HZ3 LYS A 29 -2.999 9.881 -0.916 1.00 1.88 H ATOM 471 N LYS A 30 -4.193 2.707 3.005 1.00 0.27 N ATOM 472 CA LYS A 30 -4.112 2.032 4.293 1.00 0.31 C ATOM 473 C LYS A 30 -3.469 0.647 4.235 1.00 0.29 C ATOM 474 O LYS A 30 -2.542 0.363 4.990 1.00 0.31 O ATOM 475 CB LYS A 30 -5.507 1.910 4.899 1.00 0.36 C ATOM 476 CG LYS A 30 -5.533 1.093 6.177 1.00 0.46 C ATOM 477 CD LYS A 30 -5.042 1.905 7.360 1.00 0.57 C ATOM 478 CE LYS A 30 -5.582 1.363 8.673 1.00 1.03 C ATOM 479 NZ LYS A 30 -4.861 0.134 9.105 1.00 1.66 N ATOM 480 H LYS A 30 -5.039 2.691 2.511 1.00 0.26 H ATOM 481 HA LYS A 30 -3.517 2.652 4.944 1.00 0.35 H ATOM 482 HB2 LYS A 30 -5.882 2.899 5.118 1.00 0.41 H ATOM 483 HB3 LYS A 30 -6.159 1.436 4.180 1.00 0.33 H ATOM 484 HG2 LYS A 30 -6.543 0.767 6.367 1.00 0.47 H ATOM 485 HG3 LYS A 30 -4.889 0.234 6.050 1.00 0.48 H ATOM 486 HD2 LYS A 30 -3.963 1.869 7.382 1.00 0.73 H ATOM 487 HD3 LYS A 30 -5.368 2.927 7.239 1.00 0.87 H ATOM 488 HE2 LYS A 30 -5.470 2.121 9.434 1.00 1.61 H ATOM 489 HE3 LYS A 30 -6.629 1.130 8.548 1.00 1.65 H ATOM 490 HZ1 LYS A 30 -4.029 0.389 9.676 1.00 2.20 H ATOM 491 HZ2 LYS A 30 -4.544 -0.406 8.274 1.00 2.11 H ATOM 492 HZ3 LYS A 30 -5.489 -0.468 9.676 1.00 2.11 H ATOM 493 N THR A 31 -4.001 -0.234 3.395 1.00 0.28 N ATOM 494 CA THR A 31 -3.496 -1.603 3.326 1.00 0.32 C ATOM 495 C THR A 31 -1.978 -1.663 3.201 1.00 0.30 C ATOM 496 O THR A 31 -1.348 -2.610 3.673 1.00 0.37 O ATOM 497 CB THR A 31 -4.142 -2.364 2.177 1.00 0.33 C ATOM 498 OG1 THR A 31 -5.554 -2.340 2.288 1.00 0.44 O ATOM 499 CG2 THR A 31 -3.710 -3.808 2.133 1.00 0.54 C ATOM 500 H THR A 31 -4.770 0.026 2.842 1.00 0.28 H ATOM 501 HA THR A 31 -3.773 -2.089 4.249 1.00 0.36 H ATOM 502 HB THR A 31 -3.862 -1.903 1.242 1.00 0.27 H ATOM 503 HG1 THR A 31 -5.810 -2.612 3.172 1.00 1.01 H ATOM 504 HG21 THR A 31 -4.181 -4.345 2.941 1.00 1.19 H ATOM 505 HG22 THR A 31 -2.635 -3.863 2.245 1.00 1.16 H ATOM 506 HG23 THR A 31 -4.001 -4.242 1.191 1.00 1.18 H ATOM 507 N CYS A 32 -1.393 -0.659 2.574 1.00 0.24 N ATOM 508 CA CYS A 32 0.065 -0.626 2.409 1.00 0.26 C ATOM 509 C CYS A 32 0.741 -0.243 3.721 1.00 0.24 C ATOM 510 O CYS A 32 1.945 -0.430 3.894 1.00 0.26 O ATOM 511 CB CYS A 32 0.480 0.343 1.293 1.00 0.31 C ATOM 512 SG CYS A 32 2.269 0.686 1.217 1.00 0.89 S ATOM 513 H CYS A 32 -1.950 0.073 2.224 1.00 0.22 H ATOM 514 HA CYS A 32 0.383 -1.623 2.140 1.00 0.31 H ATOM 515 HB2 CYS A 32 0.201 -0.079 0.342 1.00 0.47 H ATOM 516 HB3 CYS A 32 -0.032 1.284 1.431 1.00 0.43 H ATOM 517 N GLY A 33 -0.051 0.281 4.646 1.00 0.24 N ATOM 518 CA GLY A 33 0.469 0.673 5.943 1.00 0.29 C ATOM 519 C GLY A 33 0.976 2.106 5.985 1.00 0.35 C ATOM 520 O GLY A 33 2.048 2.370 6.528 1.00 0.46 O ATOM 521 H GLY A 33 -1.005 0.388 4.447 1.00 0.24 H ATOM 522 HA2 GLY A 33 -0.315 0.564 6.677 1.00 0.35 H ATOM 523 HA3 GLY A 33 1.282 0.011 6.204 1.00 0.29 H ATOM 524 N THR A 34 0.205 3.037 5.425 1.00 0.34 N ATOM 525 CA THR A 34 0.598 4.446 5.426 1.00 0.44 C ATOM 526 C THR A 34 -0.573 5.355 5.795 1.00 0.52 C ATOM 527 O THR A 34 -0.383 6.391 6.433 1.00 0.68 O ATOM 528 CB THR A 34 1.174 4.861 4.069 1.00 0.51 C ATOM 529 OG1 THR A 34 1.394 6.259 4.025 1.00 1.06 O ATOM 530 CG2 THR A 34 0.294 4.503 2.894 1.00 0.54 C ATOM 531 H THR A 34 -0.643 2.773 5.013 1.00 0.32 H ATOM 532 HA THR A 34 1.367 4.564 6.175 1.00 0.50 H ATOM 533 HB THR A 34 2.120 4.368 3.931 1.00 0.78 H ATOM 534 HG1 THR A 34 0.550 6.716 4.027 1.00 1.39 H ATOM 535 HG21 THR A 34 -0.629 5.060 2.954 1.00 1.16 H ATOM 536 HG22 THR A 34 0.081 3.444 2.913 1.00 1.26 H ATOM 537 HG23 THR A 34 0.804 4.750 1.975 1.00 1.18 H ATOM 538 N CYS A 35 -1.781 4.968 5.397 1.00 0.49 N ATOM 539 CA CYS A 35 -2.968 5.765 5.700 1.00 0.62 C ATOM 540 C CYS A 35 -3.317 5.678 7.182 1.00 0.95 C ATOM 541 O CYS A 35 -2.590 4.979 7.920 1.00 1.71 O ATOM 542 CB CYS A 35 -4.159 5.303 4.858 1.00 1.04 C ATOM 543 SG CYS A 35 -5.620 6.387 4.975 1.00 1.59 S ATOM 544 OXT CYS A 35 -4.314 6.308 7.593 1.00 1.64 O ATOM 545 H CYS A 35 -1.877 4.132 4.893 1.00 0.43 H ATOM 546 HA CYS A 35 -2.746 6.793 5.456 1.00 1.30 H ATOM 547 HB2 CYS A 35 -3.864 5.266 3.822 1.00 1.71 H ATOM 548 HB3 CYS A 35 -4.457 4.317 5.179 1.00 1.53 H