USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -0.0165 (180deg=-0.221) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 167:sc= 0.326 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 56 SER OG : rot 29:sc= 0.0636 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.698 USER MOD Single : A 80 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-0.11) USER MOD Single : B 110 CYS SG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 155:sc= -0.0395 (180deg=-0.3) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot 166:sc= 0.259 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : B 156 SER OG : rot 24:sc= 0.0779 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= -0.627 USER MOD Single : B 180 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 11.703 30.371 -0.793 1.00 2.54 N ATOM 146 CA CYS A 10 10.753 29.259 -0.891 1.00 1.93 C ATOM 147 C CYS A 10 9.376 29.603 -0.294 1.00 1.72 C ATOM 148 O CYS A 10 9.266 29.782 0.920 1.00 1.97 O ATOM 149 CB CYS A 10 11.347 27.988 -0.275 1.00 2.28 C ATOM 150 SG CYS A 10 12.606 27.152 -1.312 1.00 2.68 S ATOM 0 HA CYS A 10 10.578 29.070 -1.950 1.00 1.93 H new ATOM 0 HB2 CYS A 10 11.797 28.242 0.685 1.00 2.28 H new ATOM 0 HB3 CYS A 10 10.538 27.286 -0.073 1.00 2.28 H new ATOM 0 HG CYS A 10 13.042 26.093 -0.696 1.00 2.68 H new ATOM 155 N LEU A 11 8.335 29.671 -1.127 1.00 1.49 N ATOM 156 CA LEU A 11 6.959 29.987 -0.662 1.00 1.39 C ATOM 157 C LEU A 11 6.697 29.593 0.807 1.00 1.20 C ATOM 158 O LEU A 11 7.097 28.518 1.255 1.00 1.16 O ATOM 159 CB LEU A 11 5.943 29.283 -1.563 1.00 1.55 C ATOM 160 CG LEU A 11 4.587 29.980 -1.679 1.00 1.91 C ATOM 161 CD1 LEU A 11 4.683 31.166 -2.624 1.00 2.48 C ATOM 162 CD2 LEU A 11 3.527 29.000 -2.157 1.00 2.29 C ATOM 0 H LEU A 11 8.407 29.513 -2.132 1.00 1.49 H new ATOM 0 HA LEU A 11 6.852 31.070 -0.720 1.00 1.39 H new ATOM 0 HB2 LEU A 11 6.371 29.186 -2.561 1.00 1.55 H new ATOM 0 HB3 LEU A 11 5.784 28.273 -1.185 1.00 1.55 H new ATOM 0 HG LEU A 11 4.297 30.346 -0.694 1.00 1.91 H new ATOM 0 HD11 LEU A 11 3.710 31.653 -2.697 1.00 2.48 H new ATOM 0 HD12 LEU A 11 5.417 31.876 -2.243 1.00 2.48 H new ATOM 0 HD13 LEU A 11 4.991 30.821 -3.611 1.00 2.48 H new ATOM 0 HD21 LEU A 11 2.567 29.511 -2.235 1.00 2.29 H new ATOM 0 HD22 LEU A 11 3.809 28.607 -3.134 1.00 2.29 H new ATOM 0 HD23 LEU A 11 3.444 28.178 -1.446 1.00 2.29 H new ATOM 174 N PRO A 12 6.055 30.499 1.590 1.00 1.19 N ATOM 175 CA PRO A 12 5.768 30.277 3.023 1.00 1.11 C ATOM 176 C PRO A 12 4.616 29.298 3.374 1.00 1.01 C ATOM 177 O PRO A 12 3.661 29.111 2.627 1.00 1.05 O ATOM 178 CB PRO A 12 5.408 31.674 3.533 1.00 1.29 C ATOM 179 CG PRO A 12 4.914 32.415 2.341 1.00 1.49 C ATOM 180 CD PRO A 12 5.628 31.840 1.148 1.00 1.39 C ATOM 0 HA PRO A 12 6.636 29.798 3.477 1.00 1.11 H new ATOM 0 HB2 PRO A 12 4.644 31.624 4.309 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.275 32.168 3.971 1.00 1.29 H new ATOM 0 HG2 PRO A 12 3.835 32.304 2.236 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.117 33.482 2.437 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.970 31.782 0.281 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.481 32.455 0.861 1.00 1.39 H new ATOM 188 N CYS A 13 4.859 28.595 4.485 1.00 0.93 N ATOM 189 CA CYS A 13 3.960 27.515 4.960 1.00 0.89 C ATOM 190 C CYS A 13 4.021 27.224 6.459 1.00 0.90 C ATOM 191 O CYS A 13 4.756 27.860 7.211 1.00 1.00 O ATOM 192 CB CYS A 13 4.137 26.233 4.137 1.00 0.82 C ATOM 193 SG CYS A 13 4.868 24.819 5.027 1.00 0.86 S ATOM 0 H CYS A 13 5.672 28.749 5.081 1.00 0.93 H new ATOM 0 HA CYS A 13 2.957 27.908 4.797 1.00 0.89 H new ATOM 0 HB2 CYS A 13 3.163 25.932 3.752 1.00 0.82 H new ATOM 0 HB3 CYS A 13 4.764 26.460 3.275 1.00 0.82 H new ATOM 198 N GLY A 14 3.107 26.342 6.890 1.00 0.91 N ATOM 199 CA GLY A 14 2.912 26.057 8.309 1.00 0.98 C ATOM 200 C GLY A 14 2.073 27.156 8.971 1.00 1.10 C ATOM 201 O GLY A 14 1.395 27.904 8.267 1.00 1.15 O ATOM 0 H GLY A 14 2.492 25.815 6.270 1.00 0.91 H new ATOM 0 HA2 GLY A 14 2.417 25.093 8.427 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.879 25.981 8.806 1.00 0.98 H new ATOM 205 N PRO A 15 2.111 27.312 10.306 1.00 1.19 N ATOM 206 CA PRO A 15 1.362 28.372 11.034 1.00 1.33 C ATOM 207 C PRO A 15 1.840 29.748 10.595 1.00 1.40 C ATOM 208 O PRO A 15 2.900 30.219 10.991 1.00 1.57 O ATOM 209 CB PRO A 15 1.741 28.101 12.478 1.00 1.46 C ATOM 210 CG PRO A 15 3.106 27.655 12.255 1.00 1.39 C ATOM 211 CD PRO A 15 2.937 26.566 11.246 1.00 1.21 C ATOM 0 HA PRO A 15 0.286 28.358 10.859 1.00 1.33 H new ATOM 0 HB2 PRO A 15 1.682 28.990 13.106 1.00 1.46 H new ATOM 0 HB3 PRO A 15 1.117 27.339 12.945 1.00 1.46 H new ATOM 0 HG2 PRO A 15 3.738 28.460 11.880 1.00 1.39 H new ATOM 0 HG3 PRO A 15 3.567 27.289 13.172 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.881 26.231 10.815 1.00 1.21 H new ATOM 0 HD3 PRO A 15 2.439 25.684 11.647 1.00 1.21 H new ATOM 219 N GLY A 16 0.991 30.411 9.880 1.00 1.34 N ATOM 220 CA GLY A 16 1.239 31.754 9.433 1.00 1.47 C ATOM 221 C GLY A 16 2.222 31.799 8.309 1.00 1.43 C ATOM 222 O GLY A 16 2.645 32.877 7.884 1.00 1.68 O ATOM 0 H GLY A 16 0.091 30.035 9.583 1.00 1.34 H new ATOM 0 HA2 GLY A 16 0.301 32.208 9.113 1.00 1.47 H new ATOM 0 HA3 GLY A 16 1.613 32.350 10.266 1.00 1.47 H new ATOM 226 N GLY A 17 2.608 30.624 7.836 1.00 1.28 N ATOM 227 CA GLY A 17 3.561 30.589 6.817 1.00 1.25 C ATOM 228 C GLY A 17 4.886 31.161 7.305 1.00 1.24 C ATOM 229 O GLY A 17 5.490 32.006 6.645 1.00 1.36 O ATOM 0 H GLY A 17 2.266 29.717 8.154 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.704 29.562 6.480 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.206 31.160 5.959 1.00 1.25 H new ATOM 233 N LYS A 18 5.451 30.498 8.306 1.00 1.18 N ATOM 234 CA LYS A 18 6.809 30.741 8.750 1.00 1.23 C ATOM 235 C LYS A 18 7.653 29.635 8.133 1.00 1.13 C ATOM 236 O LYS A 18 8.721 29.288 8.641 1.00 1.22 O ATOM 237 CB LYS A 18 6.896 30.701 10.274 1.00 1.28 C ATOM 238 CG LYS A 18 5.548 30.546 10.955 1.00 1.34 C ATOM 239 CD LYS A 18 5.398 31.492 12.127 1.00 1.73 C ATOM 240 CE LYS A 18 4.845 30.782 13.352 1.00 1.91 C ATOM 241 NZ LYS A 18 5.801 29.772 13.888 1.00 2.50 N ATOM 0 H LYS A 18 4.971 29.770 8.835 1.00 1.18 H new ATOM 0 HA LYS A 18 7.158 31.727 8.443 1.00 1.23 H new ATOM 0 HB2 LYS A 18 7.541 29.874 10.571 1.00 1.28 H new ATOM 0 HB3 LYS A 18 7.369 31.617 10.627 1.00 1.28 H new ATOM 0 HG2 LYS A 18 4.753 30.732 10.233 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.431 29.519 11.300 1.00 1.34 H new ATOM 0 HD2 LYS A 18 6.366 31.932 12.367 1.00 1.73 H new ATOM 0 HD3 LYS A 18 4.735 32.312 11.851 1.00 1.73 H new ATOM 0 HE2 LYS A 18 4.620 31.516 14.126 1.00 1.91 H new ATOM 0 HE3 LYS A 18 3.906 30.292 13.095 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 5.604 29.608 14.896 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 5.693 28.880 13.365 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 6.774 30.122 13.778 1.00 2.50 H new ATOM 255 N GLY A 19 7.080 29.008 7.110 1.00 1.02 N ATOM 256 CA GLY A 19 7.627 27.853 6.477 1.00 0.95 C ATOM 257 C GLY A 19 8.181 28.027 5.079 1.00 0.91 C ATOM 258 O GLY A 19 8.126 29.080 4.468 1.00 1.00 O ATOM 0 H GLY A 19 6.197 29.313 6.700 1.00 1.02 H new ATOM 0 HA2 GLY A 19 8.425 27.467 7.111 1.00 0.95 H new ATOM 0 HA3 GLY A 19 6.851 27.089 6.440 1.00 0.95 H new ATOM 262 N ARG A 20 8.623 26.888 4.606 1.00 0.86 N ATOM 263 CA ARG A 20 9.132 26.749 3.248 1.00 0.86 C ATOM 264 C ARG A 20 8.760 25.416 2.619 1.00 0.80 C ATOM 265 O ARG A 20 8.841 24.377 3.268 1.00 0.78 O ATOM 266 CB ARG A 20 10.632 27.008 3.229 1.00 0.94 C ATOM 267 CG ARG A 20 10.974 28.458 2.911 1.00 1.13 C ATOM 268 CD ARG A 20 12.023 29.022 3.850 1.00 1.55 C ATOM 269 NE ARG A 20 13.212 28.179 3.910 1.00 1.82 N ATOM 270 CZ ARG A 20 13.629 27.556 5.008 1.00 2.25 C ATOM 271 NH1 ARG A 20 12.946 27.655 6.143 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.729 26.819 4.967 1.00 2.92 N ATOM 0 H ARG A 20 8.643 26.024 5.147 1.00 0.86 H new ATOM 0 HA ARG A 20 8.650 27.502 2.625 1.00 0.86 H new ATOM 0 HB2 ARG A 20 11.055 26.743 4.198 1.00 0.94 H new ATOM 0 HB3 ARG A 20 11.100 26.358 2.489 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.334 28.527 1.884 1.00 1.13 H new ATOM 0 HG3 ARG A 20 10.070 29.064 2.974 1.00 1.13 H new ATOM 0 HD2 ARG A 20 12.304 30.022 3.521 1.00 1.55 H new ATOM 0 HD3 ARG A 20 11.599 29.123 4.849 1.00 1.55 H new ATOM 0 HE ARG A 20 13.757 28.060 3.056 1.00 1.82 H new ATOM 0 HH11 ARG A 20 12.093 28.213 6.178 1.00 2.59 H new ATOM 0 HH12 ARG A 20 13.275 27.173 6.980 1.00 2.59 H new ATOM 0 HH21 ARG A 20 15.252 26.731 4.096 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.053 26.339 5.807 1.00 2.92 H new ATOM 286 N CYS A 21 8.320 25.459 1.351 1.00 0.82 N ATOM 287 CA CYS A 21 7.885 24.247 0.653 1.00 0.81 C ATOM 288 C CYS A 21 8.872 23.798 -0.415 1.00 0.84 C ATOM 289 O CYS A 21 9.701 24.573 -0.893 1.00 1.04 O ATOM 290 CB CYS A 21 6.509 24.450 -0.014 1.00 0.91 C ATOM 291 SG CYS A 21 5.399 25.626 0.826 1.00 1.10 S ATOM 0 H CYS A 21 8.258 26.313 0.796 1.00 0.82 H new ATOM 0 HA CYS A 21 7.823 23.474 1.419 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.667 24.793 -1.037 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.008 23.484 -0.075 1.00 0.91 H new ATOM 296 N PHE A 22 8.764 22.520 -0.773 1.00 0.76 N ATOM 297 CA PHE A 22 9.627 21.907 -1.780 1.00 0.83 C ATOM 298 C PHE A 22 8.801 21.112 -2.800 1.00 0.94 C ATOM 299 O PHE A 22 9.356 20.395 -3.632 1.00 1.43 O ATOM 300 CB PHE A 22 10.641 20.978 -1.099 1.00 0.85 C ATOM 301 CG PHE A 22 11.638 21.708 -0.240 1.00 0.84 C ATOM 302 CD1 PHE A 22 11.269 22.223 0.994 1.00 1.40 C ATOM 303 CD2 PHE A 22 12.938 21.904 -0.679 1.00 1.42 C ATOM 304 CE1 PHE A 22 12.179 22.914 1.774 1.00 1.51 C ATOM 305 CE2 PHE A 22 13.851 22.599 0.094 1.00 1.50 C ATOM 306 CZ PHE A 22 13.470 23.104 1.322 1.00 1.14 C ATOM 0 H PHE A 22 8.077 21.881 -0.374 1.00 0.76 H new ATOM 0 HA PHE A 22 10.155 22.701 -2.308 1.00 0.83 H new ATOM 0 HB2 PHE A 22 10.104 20.255 -0.485 1.00 0.85 H new ATOM 0 HB3 PHE A 22 11.175 20.413 -1.863 1.00 0.85 H new ATOM 0 HD1 PHE A 22 10.259 22.083 1.350 1.00 1.40 H new ATOM 0 HD2 PHE A 22 13.242 21.509 -1.637 1.00 1.42 H new ATOM 0 HE1 PHE A 22 11.880 23.304 2.736 1.00 1.51 H new ATOM 0 HE2 PHE A 22 14.860 22.746 -0.262 1.00 1.50 H new ATOM 0 HZ PHE A 22 14.181 23.647 1.928 1.00 1.14 H new ATOM 316 N GLY A 23 7.471 21.239 -2.732 1.00 0.83 N ATOM 317 CA GLY A 23 6.600 20.521 -3.652 1.00 0.88 C ATOM 318 C GLY A 23 5.127 20.814 -3.407 1.00 0.88 C ATOM 319 O GLY A 23 4.794 21.787 -2.730 1.00 0.90 O ATOM 0 H GLY A 23 6.984 21.827 -2.055 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.856 20.792 -4.676 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.776 19.450 -3.553 1.00 0.88 H new ATOM 323 N PRO A 24 4.212 19.985 -3.949 1.00 1.01 N ATOM 324 CA PRO A 24 2.767 20.177 -3.778 1.00 1.07 C ATOM 325 C PRO A 24 2.311 19.907 -2.342 1.00 0.96 C ATOM 326 O PRO A 24 1.963 20.835 -1.611 1.00 1.03 O ATOM 327 CB PRO A 24 2.138 19.162 -4.747 1.00 1.32 C ATOM 328 CG PRO A 24 3.260 18.668 -5.600 1.00 1.50 C ATOM 329 CD PRO A 24 4.506 18.807 -4.773 1.00 1.24 C ATOM 0 HA PRO A 24 2.472 21.206 -3.982 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.668 18.342 -4.204 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.362 19.629 -5.353 1.00 1.32 H new ATOM 0 HG2 PRO A 24 3.100 17.630 -5.892 1.00 1.50 H new ATOM 0 HG3 PRO A 24 3.336 19.249 -6.519 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.690 17.922 -4.164 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.390 18.956 -5.393 1.00 1.24 H new ATOM 337 N SER A 25 2.323 18.637 -1.938 1.00 0.97 N ATOM 338 CA SER A 25 1.918 18.264 -0.583 1.00 0.92 C ATOM 339 C SER A 25 3.143 18.037 0.284 1.00 0.78 C ATOM 340 O SER A 25 3.151 17.166 1.150 1.00 0.81 O ATOM 341 CB SER A 25 1.046 16.994 -0.600 1.00 1.12 C ATOM 342 OG SER A 25 -0.296 17.283 -0.240 1.00 1.26 O ATOM 0 H SER A 25 2.607 17.853 -2.526 1.00 0.97 H new ATOM 0 HA SER A 25 1.329 19.081 -0.167 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.070 16.548 -1.594 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.459 16.258 0.090 1.00 1.12 H new ATOM 0 HG SER A 25 -0.825 16.458 -0.261 1.00 1.26 H new ATOM 348 N ILE A 26 4.189 18.801 0.026 1.00 0.70 N ATOM 349 CA ILE A 26 5.419 18.650 0.764 1.00 0.61 C ATOM 350 C ILE A 26 6.043 20.005 1.104 1.00 0.58 C ATOM 351 O ILE A 26 6.357 20.800 0.218 1.00 0.73 O ATOM 352 CB ILE A 26 6.408 17.794 -0.031 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.685 16.632 -0.713 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.530 17.325 0.859 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.507 15.970 -1.795 1.00 0.83 C ATOM 0 H ILE A 26 4.207 19.529 -0.688 1.00 0.70 H new ATOM 0 HA ILE A 26 5.185 18.149 1.704 1.00 0.61 H new ATOM 0 HB ILE A 26 6.852 18.402 -0.819 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.418 15.888 0.038 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.753 16.996 -1.146 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.225 16.718 0.279 1.00 0.74 H new ATOM 0 HG22 ILE A 26 8.056 18.188 1.267 1.00 0.74 H new ATOM 0 HG23 ILE A 26 7.122 16.729 1.676 1.00 0.74 H new ATOM 0 HD11 ILE A 26 5.936 15.154 -2.238 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.752 16.702 -2.565 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.427 15.576 -1.363 1.00 0.83 H new ATOM 367 N CYS A 27 6.210 20.256 2.400 1.00 0.56 N ATOM 368 CA CYS A 27 6.789 21.508 2.888 1.00 0.56 C ATOM 369 C CYS A 27 7.680 21.240 4.093 1.00 0.55 C ATOM 370 O CYS A 27 7.223 20.659 5.075 1.00 0.59 O ATOM 371 CB CYS A 27 5.669 22.477 3.273 1.00 0.60 C ATOM 372 SG CYS A 27 6.253 24.133 3.724 1.00 0.92 S ATOM 0 H CYS A 27 5.950 19.603 3.139 1.00 0.56 H new ATOM 0 HA CYS A 27 7.393 21.952 2.097 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.973 22.563 2.438 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.112 22.058 4.111 1.00 0.60 H new ATOM 377 N CYS A 28 8.957 21.626 4.022 1.00 0.56 N ATOM 378 CA CYS A 28 9.876 21.355 5.134 1.00 0.58 C ATOM 379 C CYS A 28 10.646 22.598 5.650 1.00 0.61 C ATOM 380 O CYS A 28 10.893 23.539 4.902 1.00 0.76 O ATOM 381 CB CYS A 28 10.928 20.305 4.722 1.00 0.65 C ATOM 382 SG CYS A 28 10.559 19.325 3.224 1.00 1.28 S ATOM 0 H CYS A 28 9.372 22.115 3.229 1.00 0.56 H new ATOM 0 HA CYS A 28 9.233 20.999 5.939 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.879 20.816 4.570 1.00 0.65 H new ATOM 0 HB3 CYS A 28 11.067 19.616 5.555 1.00 0.65 H new ATOM 387 N GLY A 29 11.032 22.576 6.948 1.00 0.62 N ATOM 388 CA GLY A 29 11.787 23.645 7.547 1.00 0.65 C ATOM 389 C GLY A 29 12.684 23.118 8.672 1.00 0.67 C ATOM 390 O GLY A 29 12.744 21.917 8.930 1.00 0.66 O ATOM 0 H GLY A 29 10.818 21.810 7.587 1.00 0.62 H new ATOM 0 HA2 GLY A 29 12.398 24.134 6.788 1.00 0.65 H new ATOM 0 HA3 GLY A 29 11.106 24.399 7.942 1.00 0.65 H new ATOM 394 N ASP A 30 13.361 24.033 9.336 1.00 0.72 N ATOM 395 CA ASP A 30 14.274 23.758 10.459 1.00 0.76 C ATOM 396 C ASP A 30 13.522 23.202 11.708 1.00 0.77 C ATOM 397 O ASP A 30 13.754 22.095 12.173 1.00 0.80 O ATOM 398 CB ASP A 30 15.007 25.066 10.806 1.00 0.84 C ATOM 399 CG ASP A 30 14.086 26.280 10.841 1.00 1.41 C ATOM 400 OD1 ASP A 30 13.599 26.691 9.765 1.00 2.27 O ATOM 401 OD2 ASP A 30 13.856 26.822 11.941 1.00 1.92 O ATOM 0 H ASP A 30 13.298 25.026 9.111 1.00 0.72 H new ATOM 0 HA ASP A 30 14.983 22.986 10.160 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.491 24.957 11.777 1.00 0.84 H new ATOM 0 HB3 ASP A 30 15.796 25.238 10.074 1.00 0.84 H new ATOM 406 N GLU A 31 12.537 23.993 12.069 1.00 0.78 N ATOM 407 CA GLU A 31 11.592 23.613 13.112 1.00 0.83 C ATOM 408 C GLU A 31 10.337 23.016 12.497 1.00 0.87 C ATOM 409 O GLU A 31 9.450 22.583 13.214 1.00 1.00 O ATOM 410 CB GLU A 31 11.343 24.691 14.132 1.00 0.90 C ATOM 411 CG GLU A 31 12.166 25.929 13.895 1.00 0.99 C ATOM 412 CD GLU A 31 12.011 26.924 15.012 1.00 1.14 C ATOM 413 OE1 GLU A 31 12.667 26.746 16.059 1.00 1.64 O ATOM 414 OE2 GLU A 31 11.226 27.877 14.843 1.00 1.66 O ATOM 0 H GLU A 31 12.363 24.910 11.657 1.00 0.78 H new ATOM 0 HA GLU A 31 12.054 22.826 13.708 1.00 0.83 H new ATOM 0 HB2 GLU A 31 10.286 24.957 14.120 1.00 0.90 H new ATOM 0 HB3 GLU A 31 11.563 24.301 15.126 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.216 25.654 13.796 1.00 0.99 H new ATOM 0 HG3 GLU A 31 11.867 26.390 12.953 1.00 0.99 H new ATOM 421 N LEU A 32 10.142 23.278 11.260 1.00 0.82 N ATOM 422 CA LEU A 32 8.957 22.932 10.599 1.00 0.88 C ATOM 423 C LEU A 32 9.145 21.654 9.785 1.00 0.82 C ATOM 424 O LEU A 32 8.250 21.257 9.036 1.00 0.90 O ATOM 425 CB LEU A 32 8.623 24.098 9.740 1.00 0.93 C ATOM 426 CG LEU A 32 7.517 24.981 10.278 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.446 26.253 9.470 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.190 24.245 10.286 1.00 1.37 C ATOM 0 H LEU A 32 10.825 23.752 10.669 1.00 0.82 H new ATOM 0 HA LEU A 32 8.146 22.720 11.295 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.520 24.703 9.606 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.333 23.735 8.754 1.00 0.93 H new ATOM 0 HG LEU A 32 7.740 25.244 11.312 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.649 26.887 9.859 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.397 26.781 9.539 1.00 1.24 H new ATOM 0 HD13 LEU A 32 7.241 26.011 8.427 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.412 24.901 10.677 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.934 23.945 9.270 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.269 23.360 10.917 1.00 1.37 H new ATOM 440 N GLY A 33 10.313 21.013 9.962 1.00 0.73 N ATOM 441 CA GLY A 33 10.610 19.783 9.266 1.00 0.71 C ATOM 442 C GLY A 33 9.830 19.659 7.984 1.00 0.67 C ATOM 443 O GLY A 33 9.763 20.619 7.251 1.00 0.65 O ATOM 0 H GLY A 33 11.055 21.338 10.583 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.677 19.739 9.047 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.382 18.936 9.913 1.00 0.71 H new ATOM 447 N CYS A 34 9.278 18.499 7.679 1.00 0.70 N ATOM 448 CA CYS A 34 8.538 18.343 6.441 1.00 0.69 C ATOM 449 C CYS A 34 7.190 17.726 6.655 1.00 0.65 C ATOM 450 O CYS A 34 7.071 16.598 7.129 1.00 0.62 O ATOM 451 CB CYS A 34 9.324 17.573 5.407 1.00 0.73 C ATOM 452 SG CYS A 34 8.990 18.126 3.709 1.00 1.08 S ATOM 0 H CYS A 34 9.326 17.663 8.261 1.00 0.70 H new ATOM 0 HA CYS A 34 8.376 19.350 6.056 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.389 17.678 5.615 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.086 16.513 5.492 1.00 0.73 H new ATOM 457 N PHE A 35 6.180 18.449 6.191 1.00 0.68 N ATOM 458 CA PHE A 35 4.849 17.949 6.222 1.00 0.67 C ATOM 459 C PHE A 35 4.642 17.420 4.847 1.00 0.64 C ATOM 460 O PHE A 35 4.461 18.194 3.901 1.00 0.63 O ATOM 461 CB PHE A 35 3.841 19.067 6.494 1.00 0.69 C ATOM 462 CG PHE A 35 4.174 19.882 7.699 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.111 20.897 7.614 1.00 0.98 C ATOM 464 CD2 PHE A 35 3.581 19.616 8.921 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.452 21.631 8.726 1.00 1.21 C ATOM 466 CE2 PHE A 35 3.915 20.353 10.040 1.00 1.38 C ATOM 467 CZ PHE A 35 4.853 21.359 9.943 1.00 1.26 C ATOM 0 H PHE A 35 6.276 19.383 5.792 1.00 0.68 H new ATOM 0 HA PHE A 35 4.708 17.206 7.007 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.791 19.721 5.624 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.850 18.630 6.622 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.579 21.115 6.665 1.00 0.98 H new ATOM 0 HD2 PHE A 35 2.850 18.825 9.000 1.00 1.16 H new ATOM 0 HE1 PHE A 35 6.187 22.419 8.649 1.00 1.21 H new ATOM 0 HE2 PHE A 35 3.443 20.142 10.988 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.120 21.935 10.817 1.00 1.26 H new ATOM 477 N VAL A 36 4.660 16.127 4.706 1.00 0.67 N ATOM 478 CA VAL A 36 4.463 15.573 3.412 1.00 0.68 C ATOM 479 C VAL A 36 3.027 15.103 3.343 1.00 0.71 C ATOM 480 O VAL A 36 2.677 13.953 3.634 1.00 0.74 O ATOM 481 CB VAL A 36 5.513 14.481 3.065 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.679 14.375 1.553 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.864 14.818 3.714 1.00 0.76 C ATOM 0 H VAL A 36 4.806 15.453 5.458 1.00 0.67 H new ATOM 0 HA VAL A 36 4.626 16.324 2.639 1.00 0.68 H new ATOM 0 HB VAL A 36 5.162 13.525 3.453 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.417 13.607 1.321 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.724 14.109 1.100 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.015 15.333 1.156 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.591 14.045 3.463 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.216 15.781 3.343 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.745 14.867 4.796 1.00 0.76 H new ATOM 493 N GLY A 37 2.185 16.065 2.991 1.00 0.71 N ATOM 494 CA GLY A 37 0.757 15.802 2.885 1.00 0.76 C ATOM 495 C GLY A 37 -0.133 16.734 3.698 1.00 0.72 C ATOM 496 O GLY A 37 -0.782 17.625 3.144 1.00 0.81 O ATOM 0 H GLY A 37 2.461 17.023 2.776 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.467 15.871 1.836 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.568 14.776 3.201 1.00 0.76 H new ATOM 500 N THR A 38 -0.199 16.481 5.009 1.00 0.68 N ATOM 501 CA THR A 38 -1.042 17.251 5.937 1.00 0.68 C ATOM 502 C THR A 38 -1.198 18.709 5.540 1.00 0.72 C ATOM 503 O THR A 38 -0.219 19.430 5.338 1.00 0.77 O ATOM 504 CB THR A 38 -0.497 17.163 7.359 1.00 0.72 C ATOM 505 OG1 THR A 38 -1.321 17.890 8.257 1.00 0.77 O ATOM 506 CG2 THR A 38 0.907 17.703 7.483 1.00 0.76 C ATOM 0 H THR A 38 0.331 15.735 5.460 1.00 0.68 H new ATOM 0 HA THR A 38 -2.032 16.798 5.889 1.00 0.68 H new ATOM 0 HB THR A 38 -0.488 16.102 7.608 1.00 0.72 H new ATOM 0 HG1 THR A 38 -1.090 17.651 9.179 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.241 17.614 8.517 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.574 17.134 6.836 1.00 0.76 H new ATOM 0 HG23 THR A 38 0.921 18.752 7.186 1.00 0.76 H new ATOM 514 N ALA A 39 -2.466 19.108 5.416 1.00 0.77 N ATOM 515 CA ALA A 39 -2.854 20.462 5.025 1.00 0.86 C ATOM 516 C ALA A 39 -1.817 21.518 5.389 1.00 0.82 C ATOM 517 O ALA A 39 -1.595 22.451 4.621 1.00 0.86 O ATOM 518 CB ALA A 39 -4.195 20.824 5.652 1.00 1.02 C ATOM 0 H ALA A 39 -3.260 18.491 5.587 1.00 0.77 H new ATOM 0 HA ALA A 39 -2.932 20.457 3.938 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.475 21.835 5.354 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.957 20.122 5.313 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -4.114 20.775 6.738 1.00 1.02 H new ATOM 524 N GLU A 40 -1.139 21.335 6.523 1.00 0.78 N ATOM 525 CA GLU A 40 -0.097 22.263 6.952 1.00 0.79 C ATOM 526 C GLU A 40 0.870 22.568 5.810 1.00 0.74 C ATOM 527 O GLU A 40 1.662 23.509 5.892 1.00 0.79 O ATOM 528 CB GLU A 40 0.641 21.728 8.181 1.00 0.82 C ATOM 529 CG GLU A 40 0.352 22.527 9.445 1.00 1.25 C ATOM 530 CD GLU A 40 0.858 21.846 10.702 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.295 20.796 11.075 1.00 2.32 O ATOM 532 OE2 GLU A 40 1.819 22.362 11.311 1.00 1.91 O ATOM 0 H GLU A 40 -1.294 20.553 7.159 1.00 0.78 H new ATOM 0 HA GLU A 40 -0.576 23.200 7.236 1.00 0.79 H new ATOM 0 HB2 GLU A 40 0.358 20.688 8.343 1.00 0.82 H new ATOM 0 HB3 GLU A 40 1.714 21.740 7.988 1.00 0.82 H new ATOM 0 HG2 GLU A 40 0.813 23.511 9.360 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -0.723 22.685 9.531 1.00 1.25 H new ATOM 539 N ALA A 41 0.811 21.772 4.743 1.00 0.70 N ATOM 540 CA ALA A 41 1.651 21.967 3.591 1.00 0.71 C ATOM 541 C ALA A 41 0.786 22.331 2.387 1.00 0.78 C ATOM 542 O ALA A 41 1.185 23.146 1.572 1.00 0.87 O ATOM 543 CB ALA A 41 2.442 20.699 3.315 1.00 0.77 C ATOM 0 H ALA A 41 0.176 20.978 4.665 1.00 0.70 H new ATOM 0 HA ALA A 41 2.352 22.780 3.780 1.00 0.71 H new ATOM 0 HB1 ALA A 41 3.077 20.849 2.442 1.00 0.77 H new ATOM 0 HB2 ALA A 41 3.063 20.462 4.179 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.754 19.875 3.126 1.00 0.77 H new ATOM 549 N LEU A 42 -0.333 21.604 2.214 1.00 0.81 N ATOM 550 CA LEU A 42 -1.189 21.733 1.032 1.00 0.94 C ATOM 551 C LEU A 42 -1.356 23.147 0.496 1.00 1.05 C ATOM 552 O LEU A 42 -1.635 23.317 -0.691 1.00 1.23 O ATOM 553 CB LEU A 42 -2.508 21.001 1.266 1.00 0.98 C ATOM 554 CG LEU A 42 -3.668 21.664 2.052 1.00 1.02 C ATOM 555 CD1 LEU A 42 -3.384 23.070 2.549 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.947 21.642 1.227 1.00 1.16 C ATOM 0 H LEU A 42 -0.664 20.915 2.889 1.00 0.81 H new ATOM 0 HA LEU A 42 -0.663 21.245 0.212 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -2.901 20.733 0.285 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -2.268 20.070 1.779 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.787 21.060 2.952 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -4.254 23.449 3.086 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -2.524 23.053 3.218 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -3.171 23.720 1.700 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.753 22.111 1.792 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -4.790 22.189 0.297 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -5.216 20.610 1.000 1.00 1.16 H new ATOM 568 N ARG A 43 -1.081 24.159 1.302 1.00 1.04 N ATOM 569 CA ARG A 43 -1.120 25.509 0.784 1.00 1.23 C ATOM 570 C ARG A 43 0.043 25.632 -0.201 1.00 1.24 C ATOM 571 O ARG A 43 0.115 26.548 -1.021 1.00 1.46 O ATOM 572 CB ARG A 43 -1.043 26.532 1.932 1.00 1.32 C ATOM 573 CG ARG A 43 0.292 27.239 2.067 1.00 1.34 C ATOM 574 CD ARG A 43 0.387 28.443 1.144 1.00 1.50 C ATOM 575 NE ARG A 43 1.195 29.509 1.728 1.00 1.88 N ATOM 576 CZ ARG A 43 0.704 30.660 2.189 1.00 2.20 C ATOM 577 NH1 ARG A 43 -0.597 30.911 2.142 1.00 2.39 N ATOM 578 NH2 ARG A 43 1.524 31.561 2.710 1.00 2.92 N ATOM 0 H ARG A 43 -0.836 24.074 2.288 1.00 1.04 H new ATOM 0 HA ARG A 43 -2.058 25.720 0.270 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -1.821 27.281 1.785 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -1.264 26.022 2.870 1.00 1.32 H new ATOM 0 HG2 ARG A 43 0.431 27.560 3.099 1.00 1.34 H new ATOM 0 HG3 ARG A 43 1.098 26.541 1.839 1.00 1.34 H new ATOM 0 HD2 ARG A 43 0.821 28.138 0.192 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -0.614 28.819 0.933 1.00 1.50 H new ATOM 0 HE ARG A 43 2.203 29.364 1.788 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -1.236 30.219 1.750 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -0.959 31.796 2.498 1.00 2.39 H new ATOM 0 HH21 ARG A 43 2.525 31.373 2.757 1.00 2.92 H new ATOM 0 HH22 ARG A 43 1.154 32.443 3.064 1.00 2.92 H new ATOM 592 N CYS A 44 0.931 24.639 -0.124 1.00 1.08 N ATOM 593 CA CYS A 44 2.082 24.550 -1.010 1.00 1.15 C ATOM 594 C CYS A 44 1.687 23.850 -2.309 1.00 1.41 C ATOM 595 O CYS A 44 2.538 23.363 -3.052 1.00 1.57 O ATOM 596 CB CYS A 44 3.219 23.789 -0.319 1.00 1.04 C ATOM 597 SG CYS A 44 3.746 24.526 1.268 1.00 1.28 S ATOM 0 H CYS A 44 0.869 23.879 0.553 1.00 1.08 H new ATOM 0 HA CYS A 44 2.429 25.556 -1.246 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.901 22.761 -0.143 1.00 1.04 H new ATOM 0 HB3 CYS A 44 4.076 23.747 -0.991 1.00 1.04 H new ATOM 602 N GLN A 45 0.405 23.917 -2.648 1.00 1.55 N ATOM 603 CA GLN A 45 -0.067 23.363 -3.901 1.00 1.86 C ATOM 604 C GLN A 45 -0.035 24.462 -4.934 1.00 2.09 C ATOM 605 O GLN A 45 0.000 24.218 -6.145 1.00 2.35 O ATOM 606 CB GLN A 45 -1.478 22.787 -3.761 1.00 1.97 C ATOM 607 CG GLN A 45 -1.768 21.674 -4.756 1.00 2.40 C ATOM 608 CD GLN A 45 -2.786 20.674 -4.245 1.00 2.73 C ATOM 609 OE1 GLN A 45 -3.777 21.045 -3.616 1.00 3.31 O ATOM 610 NE2 GLN A 45 -2.545 19.395 -4.515 1.00 3.02 N ATOM 0 H GLN A 45 -0.319 24.348 -2.073 1.00 1.55 H new ATOM 0 HA GLN A 45 0.578 22.539 -4.206 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -1.609 22.405 -2.749 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.206 23.587 -3.897 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -2.131 22.111 -5.686 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -0.840 21.152 -4.990 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -1.710 19.133 -5.040 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -3.195 18.676 -4.197 1.00 3.02 H new ATOM 619 N GLU A 46 0.014 25.693 -4.446 1.00 2.07 N ATOM 620 CA GLU A 46 0.094 26.816 -5.336 1.00 2.35 C ATOM 621 C GLU A 46 1.552 27.087 -5.670 1.00 2.34 C ATOM 622 O GLU A 46 1.865 28.034 -6.389 1.00 2.50 O ATOM 623 CB GLU A 46 -0.555 28.049 -4.708 1.00 2.41 C ATOM 624 CG GLU A 46 -1.915 27.768 -4.087 1.00 2.80 C ATOM 625 CD GLU A 46 -3.018 27.613 -5.119 1.00 3.19 C ATOM 626 OE1 GLU A 46 -3.377 28.623 -5.760 1.00 3.53 O ATOM 627 OE2 GLU A 46 -3.525 26.483 -5.281 1.00 3.69 O ATOM 0 H GLU A 46 -0.001 25.926 -3.453 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.448 26.587 -6.254 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.110 28.450 -3.942 1.00 2.41 H new ATOM 0 HB3 GLU A 46 -0.665 28.820 -5.470 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.854 26.859 -3.489 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -2.173 28.580 -3.407 1.00 2.80 H new ATOM 634 N GLU A 47 2.447 26.203 -5.195 1.00 2.22 N ATOM 635 CA GLU A 47 3.851 26.354 -5.513 1.00 2.31 C ATOM 636 C GLU A 47 4.127 25.737 -6.879 1.00 2.34 C ATOM 637 O GLU A 47 5.267 25.707 -7.341 1.00 2.42 O ATOM 638 CB GLU A 47 4.727 25.702 -4.441 1.00 2.37 C ATOM 639 CG GLU A 47 5.943 26.537 -4.066 1.00 2.96 C ATOM 640 CD GLU A 47 7.241 25.760 -4.171 1.00 3.45 C ATOM 641 OE1 GLU A 47 7.537 24.971 -3.250 1.00 3.68 O ATOM 642 OE2 GLU A 47 7.963 25.942 -5.174 1.00 3.99 O ATOM 0 H GLU A 47 2.218 25.402 -4.606 1.00 2.22 H new ATOM 0 HA GLU A 47 4.097 27.416 -5.540 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.126 25.527 -3.548 1.00 2.37 H new ATOM 0 HB3 GLU A 47 5.060 24.727 -4.798 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.993 27.410 -4.716 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.826 26.905 -3.047 1.00 2.96 H new ATOM 769 N SER A 56 18.334 25.823 -0.955 1.00 2.28 N ATOM 770 CA SER A 56 18.276 25.392 0.446 1.00 2.07 C ATOM 771 C SER A 56 17.982 23.921 0.721 1.00 1.82 C ATOM 772 O SER A 56 16.850 23.462 0.571 1.00 2.22 O ATOM 773 CB SER A 56 17.254 26.220 1.238 1.00 2.60 C ATOM 774 OG SER A 56 17.558 27.600 1.193 1.00 3.12 O ATOM 0 HA SER A 56 19.303 25.557 0.771 1.00 2.07 H new ATOM 0 HB2 SER A 56 16.256 26.053 0.832 1.00 2.60 H new ATOM 0 HB3 SER A 56 17.237 25.884 2.275 1.00 2.60 H new ATOM 0 HG SER A 56 18.026 27.805 0.357 1.00 3.12 H new ATOM 780 N GLY A 57 19.027 23.148 1.017 1.00 1.58 N ATOM 781 CA GLY A 57 18.851 21.754 1.265 1.00 1.86 C ATOM 782 C GLY A 57 19.889 20.974 0.540 1.00 1.68 C ATOM 783 O GLY A 57 19.572 20.269 -0.409 1.00 2.10 O ATOM 0 H GLY A 57 19.989 23.479 1.086 1.00 1.58 H new ATOM 0 HA2 GLY A 57 18.916 21.555 2.335 1.00 1.86 H new ATOM 0 HA3 GLY A 57 17.858 21.441 0.943 1.00 1.86 H new ATOM 787 N GLN A 58 21.134 21.072 0.978 1.00 1.37 N ATOM 788 CA GLN A 58 22.189 20.333 0.333 1.00 1.46 C ATOM 789 C GLN A 58 22.774 19.382 1.340 1.00 1.08 C ATOM 790 O GLN A 58 23.912 19.504 1.782 1.00 1.00 O ATOM 791 CB GLN A 58 23.253 21.303 -0.181 1.00 1.97 C ATOM 792 CG GLN A 58 24.168 20.726 -1.244 1.00 2.80 C ATOM 793 CD GLN A 58 25.322 21.659 -1.552 1.00 3.61 C ATOM 794 OE1 GLN A 58 26.395 21.551 -0.960 1.00 3.96 O ATOM 795 NE2 GLN A 58 25.102 22.592 -2.472 1.00 4.36 N ATOM 0 H GLN A 58 21.429 21.649 1.766 1.00 1.37 H new ATOM 0 HA GLN A 58 21.805 19.772 -0.519 1.00 1.46 H new ATOM 0 HB2 GLN A 58 22.757 22.185 -0.586 1.00 1.97 H new ATOM 0 HB3 GLN A 58 23.860 21.637 0.661 1.00 1.97 H new ATOM 0 HG2 GLN A 58 24.556 19.765 -0.908 1.00 2.80 H new ATOM 0 HG3 GLN A 58 23.597 20.539 -2.154 1.00 2.80 H new ATOM 0 HE21 GLN A 58 24.196 22.645 -2.938 1.00 4.36 H new ATOM 0 HE22 GLN A 58 25.839 23.255 -2.712 1.00 4.36 H new ATOM 804 N LYS A 59 21.992 18.376 1.608 1.00 1.17 N ATOM 805 CA LYS A 59 22.350 17.317 2.538 1.00 1.13 C ATOM 806 C LYS A 59 21.768 16.027 1.994 1.00 0.95 C ATOM 807 O LYS A 59 20.932 15.377 2.614 1.00 0.88 O ATOM 808 CB LYS A 59 21.735 17.596 3.928 1.00 1.54 C ATOM 809 CG LYS A 59 22.432 18.683 4.733 1.00 1.90 C ATOM 810 CD LYS A 59 22.088 18.584 6.217 1.00 2.17 C ATOM 811 CE LYS A 59 21.013 19.588 6.625 1.00 2.82 C ATOM 812 NZ LYS A 59 21.584 20.765 7.341 1.00 3.55 N ATOM 0 H LYS A 59 21.071 18.257 1.186 1.00 1.17 H new ATOM 0 HA LYS A 59 23.433 17.256 2.642 1.00 1.13 H new ATOM 0 HB2 LYS A 59 20.690 17.876 3.797 1.00 1.54 H new ATOM 0 HB3 LYS A 59 21.747 16.672 4.506 1.00 1.54 H new ATOM 0 HG2 LYS A 59 23.511 18.600 4.602 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.139 19.662 4.355 1.00 1.90 H new ATOM 0 HD2 LYS A 59 21.745 17.574 6.443 1.00 2.17 H new ATOM 0 HD3 LYS A 59 22.987 18.755 6.809 1.00 2.17 H new ATOM 0 HE2 LYS A 59 20.480 19.928 5.737 1.00 2.82 H new ATOM 0 HE3 LYS A 59 20.282 19.095 7.266 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 20.818 21.420 7.599 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 22.070 20.445 8.203 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 22.262 21.253 6.722 1.00 3.55 H new ATOM 826 N PRO A 60 22.180 15.686 0.759 1.00 1.06 N ATOM 827 CA PRO A 60 21.677 14.510 0.060 1.00 1.15 C ATOM 828 C PRO A 60 22.038 13.149 0.661 1.00 1.10 C ATOM 829 O PRO A 60 22.985 12.484 0.240 1.00 1.23 O ATOM 830 CB PRO A 60 22.253 14.643 -1.347 1.00 1.48 C ATOM 831 CG PRO A 60 23.449 15.512 -1.188 1.00 1.54 C ATOM 832 CD PRO A 60 23.112 16.464 -0.078 1.00 1.30 C ATOM 0 HA PRO A 60 20.588 14.504 0.117 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.523 13.670 -1.757 1.00 1.48 H new ATOM 0 HB3 PRO A 60 21.529 15.087 -2.030 1.00 1.48 H new ATOM 0 HG2 PRO A 60 24.332 14.922 -0.944 1.00 1.54 H new ATOM 0 HG3 PRO A 60 23.669 16.048 -2.111 1.00 1.54 H new ATOM 0 HD2 PRO A 60 24.000 16.764 0.479 1.00 1.30 H new ATOM 0 HD3 PRO A 60 22.649 17.376 -0.456 1.00 1.30 H new ATOM 840 N CYS A 61 21.203 12.723 1.600 1.00 1.08 N ATOM 841 CA CYS A 61 21.301 11.416 2.237 1.00 1.13 C ATOM 842 C CYS A 61 20.271 10.504 1.566 1.00 1.36 C ATOM 843 O CYS A 61 19.578 10.961 0.657 1.00 1.54 O ATOM 844 CB CYS A 61 21.147 11.490 3.755 1.00 1.30 C ATOM 845 SG CYS A 61 19.459 11.257 4.370 1.00 1.59 S ATOM 0 H CYS A 61 20.426 13.285 1.946 1.00 1.08 H new ATOM 0 HA CYS A 61 22.299 11.001 2.097 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.789 10.734 4.207 1.00 1.30 H new ATOM 0 HB3 CYS A 61 21.510 12.460 4.094 1.00 1.30 H new ATOM 850 N GLY A 62 20.059 9.284 2.048 1.00 1.60 N ATOM 851 CA GLY A 62 19.013 8.474 1.439 1.00 1.92 C ATOM 852 C GLY A 62 19.299 8.166 -0.021 1.00 2.10 C ATOM 853 O GLY A 62 20.419 8.355 -0.493 1.00 2.43 O ATOM 0 H GLY A 62 20.568 8.852 2.819 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.911 7.540 1.992 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.060 8.996 1.518 1.00 1.92 H new ATOM 857 N SER A 63 18.295 7.679 -0.740 1.00 2.43 N ATOM 858 CA SER A 63 18.461 7.345 -2.146 1.00 2.98 C ATOM 859 C SER A 63 18.440 8.592 -3.031 1.00 2.74 C ATOM 860 O SER A 63 17.875 8.578 -4.123 1.00 3.32 O ATOM 861 CB SER A 63 17.364 6.379 -2.605 1.00 3.86 C ATOM 862 OG SER A 63 17.414 5.160 -1.886 1.00 4.11 O ATOM 0 H SER A 63 17.359 7.507 -0.372 1.00 2.43 H new ATOM 0 HA SER A 63 19.435 6.867 -2.248 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.388 6.844 -2.468 1.00 3.86 H new ATOM 0 HB3 SER A 63 17.476 6.179 -3.671 1.00 3.86 H new ATOM 0 HG SER A 63 16.701 4.565 -2.200 1.00 4.11 H new ATOM 868 N GLY A 64 19.124 9.643 -2.588 1.00 2.15 N ATOM 869 CA GLY A 64 19.217 10.839 -3.395 1.00 2.11 C ATOM 870 C GLY A 64 18.474 12.066 -2.892 1.00 1.92 C ATOM 871 O GLY A 64 18.337 13.017 -3.664 1.00 2.21 O ATOM 0 H GLY A 64 19.610 9.685 -1.692 1.00 2.15 H new ATOM 0 HA2 GLY A 64 20.271 11.098 -3.497 1.00 2.11 H new ATOM 0 HA3 GLY A 64 18.848 10.604 -4.393 1.00 2.11 H new ATOM 875 N GLY A 65 17.964 12.100 -1.663 1.00 1.62 N ATOM 876 CA GLY A 65 17.267 13.294 -1.233 1.00 1.62 C ATOM 877 C GLY A 65 18.082 14.140 -0.274 1.00 1.43 C ATOM 878 O GLY A 65 18.967 13.629 0.406 1.00 1.62 O ATOM 0 H GLY A 65 18.019 11.346 -0.978 1.00 1.62 H new ATOM 0 HA2 GLY A 65 17.008 13.892 -2.107 1.00 1.62 H new ATOM 0 HA3 GLY A 65 16.331 13.009 -0.753 1.00 1.62 H new ATOM 882 N ARG A 66 17.797 15.445 -0.234 1.00 1.17 N ATOM 883 CA ARG A 66 18.523 16.356 0.650 1.00 1.03 C ATOM 884 C ARG A 66 17.732 16.695 1.918 1.00 0.94 C ATOM 885 O ARG A 66 16.501 16.715 1.917 1.00 1.04 O ATOM 886 CB ARG A 66 18.931 17.638 -0.074 1.00 1.10 C ATOM 887 CG ARG A 66 17.872 18.182 -1.023 1.00 1.26 C ATOM 888 CD ARG A 66 18.427 18.390 -2.422 1.00 1.41 C ATOM 889 NE ARG A 66 19.097 17.195 -2.937 1.00 1.78 N ATOM 890 CZ ARG A 66 18.636 16.452 -3.944 1.00 2.30 C ATOM 891 NH1 ARG A 66 17.479 16.742 -4.526 1.00 2.55 N ATOM 892 NH2 ARG A 66 19.335 15.407 -4.367 1.00 3.02 N ATOM 0 H ARG A 66 17.074 15.890 -0.800 1.00 1.17 H new ATOM 0 HA ARG A 66 19.426 15.826 0.954 1.00 1.03 H new ATOM 0 HB2 ARG A 66 19.166 18.402 0.667 1.00 1.10 H new ATOM 0 HB3 ARG A 66 19.845 17.449 -0.637 1.00 1.10 H new ATOM 0 HG2 ARG A 66 17.030 17.491 -1.064 1.00 1.26 H new ATOM 0 HG3 ARG A 66 17.490 19.128 -0.639 1.00 1.26 H new ATOM 0 HD2 ARG A 66 17.616 18.667 -3.095 1.00 1.41 H new ATOM 0 HD3 ARG A 66 19.131 19.222 -2.411 1.00 1.41 H new ATOM 0 HE ARG A 66 19.973 16.912 -2.497 1.00 1.78 H new ATOM 0 HH11 ARG A 66 16.932 17.541 -4.204 1.00 2.55 H new ATOM 0 HH12 ARG A 66 17.137 16.166 -5.295 1.00 2.55 H new ATOM 0 HH21 ARG A 66 20.223 15.173 -3.922 1.00 3.02 H new ATOM 0 HH22 ARG A 66 18.985 14.837 -5.137 1.00 3.02 H new ATOM 906 N CYS A 67 18.474 16.961 2.998 1.00 0.87 N ATOM 907 CA CYS A 67 17.908 17.302 4.292 1.00 0.87 C ATOM 908 C CYS A 67 17.300 18.698 4.345 1.00 0.88 C ATOM 909 O CYS A 67 18.013 19.699 4.347 1.00 0.93 O ATOM 910 CB CYS A 67 18.960 17.162 5.389 1.00 0.93 C ATOM 911 SG CYS A 67 18.554 15.929 6.656 1.00 1.52 S ATOM 0 H CYS A 67 19.494 16.943 2.990 1.00 0.87 H new ATOM 0 HA CYS A 67 17.094 16.596 4.456 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.913 16.896 4.931 1.00 0.93 H new ATOM 0 HB3 CYS A 67 19.097 18.130 5.871 1.00 0.93 H new ATOM 916 N ALA A 68 15.999 18.744 4.488 1.00 0.91 N ATOM 917 CA ALA A 68 15.268 20.002 4.654 1.00 0.98 C ATOM 918 C ALA A 68 14.971 20.186 6.149 1.00 0.98 C ATOM 919 O ALA A 68 14.751 21.287 6.648 1.00 1.07 O ATOM 920 CB ALA A 68 13.965 19.951 3.875 1.00 0.98 C ATOM 0 H ALA A 68 15.404 17.915 4.494 1.00 0.91 H new ATOM 0 HA ALA A 68 15.863 20.835 4.279 1.00 0.98 H new ATOM 0 HB1 ALA A 68 13.427 20.890 4.004 1.00 0.98 H new ATOM 0 HB2 ALA A 68 14.179 19.797 2.817 1.00 0.98 H new ATOM 0 HB3 ALA A 68 13.352 19.129 4.244 1.00 0.98 H new ATOM 926 N ALA A 69 15.118 19.062 6.838 1.00 0.92 N ATOM 927 CA ALA A 69 14.954 19.053 8.293 1.00 0.96 C ATOM 928 C ALA A 69 15.520 17.851 9.033 1.00 0.92 C ATOM 929 O ALA A 69 15.770 16.789 8.457 1.00 0.87 O ATOM 930 CB ALA A 69 13.494 19.213 8.624 1.00 1.00 C ATOM 0 H ALA A 69 15.346 18.157 6.426 1.00 0.92 H new ATOM 0 HA ALA A 69 15.554 19.891 8.648 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.364 19.207 9.706 1.00 1.00 H new ATOM 0 HB2 ALA A 69 13.131 20.158 8.220 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.929 18.390 8.186 1.00 1.00 H new ATOM 936 N ALA A 70 15.707 18.064 10.348 1.00 0.98 N ATOM 937 CA ALA A 70 16.243 17.051 11.255 1.00 1.00 C ATOM 938 C ALA A 70 15.509 15.731 11.119 1.00 1.04 C ATOM 939 O ALA A 70 14.291 15.657 11.280 1.00 1.24 O ATOM 940 CB ALA A 70 16.197 17.522 12.701 1.00 1.15 C ATOM 0 H ALA A 70 15.488 18.949 10.806 1.00 0.98 H new ATOM 0 HA ALA A 70 17.284 16.895 10.971 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.603 16.746 13.350 1.00 1.15 H new ATOM 0 HB2 ALA A 70 16.790 18.430 12.807 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.165 17.728 12.984 1.00 1.15 H new ATOM 946 N GLY A 71 16.276 14.700 10.794 1.00 1.15 N ATOM 947 CA GLY A 71 15.731 13.380 10.589 1.00 1.27 C ATOM 948 C GLY A 71 14.723 13.407 9.475 1.00 1.21 C ATOM 949 O GLY A 71 13.781 12.618 9.472 1.00 1.28 O ATOM 0 H GLY A 71 17.286 14.761 10.667 1.00 1.15 H new ATOM 0 HA2 GLY A 71 16.532 12.680 10.349 1.00 1.27 H new ATOM 0 HA3 GLY A 71 15.262 13.025 11.506 1.00 1.27 H new ATOM 953 N ILE A 72 14.972 14.213 8.442 1.00 1.12 N ATOM 954 CA ILE A 72 14.101 14.265 7.293 1.00 1.08 C ATOM 955 C ILE A 72 14.928 14.498 6.019 1.00 1.03 C ATOM 956 O ILE A 72 15.451 15.599 5.779 1.00 1.36 O ATOM 957 CB ILE A 72 13.015 15.357 7.471 1.00 1.52 C ATOM 958 CG1 ILE A 72 13.365 16.648 6.734 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.797 15.661 8.944 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.393 16.958 5.655 1.00 0.92 C ATOM 0 H ILE A 72 15.777 14.837 8.389 1.00 1.12 H new ATOM 0 HA ILE A 72 13.586 13.309 7.197 1.00 1.08 H new ATOM 0 HB ILE A 72 12.098 14.959 7.037 1.00 1.52 H new ATOM 0 HG12 ILE A 72 13.392 17.474 7.445 1.00 1.09 H new ATOM 0 HG13 ILE A 72 14.364 16.561 6.307 1.00 1.09 H new ATOM 0 HG21 ILE A 72 12.031 16.430 9.047 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.474 14.756 9.458 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.729 16.016 9.384 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.683 17.884 5.159 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.384 16.145 4.929 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.397 17.072 6.084 1.00 0.92 H new ATOM 972 N CYS A 73 15.046 13.480 5.200 1.00 0.82 N ATOM 973 CA CYS A 73 15.786 13.602 3.959 1.00 1.07 C ATOM 974 C CYS A 73 14.803 13.653 2.804 1.00 1.08 C ATOM 975 O CYS A 73 14.229 12.633 2.420 1.00 1.21 O ATOM 976 CB CYS A 73 16.761 12.442 3.782 1.00 1.19 C ATOM 977 SG CYS A 73 18.508 12.943 3.780 1.00 1.98 S ATOM 0 H CYS A 73 14.641 12.559 5.367 1.00 0.82 H new ATOM 0 HA CYS A 73 16.373 14.520 3.983 1.00 1.07 H new ATOM 0 HB2 CYS A 73 16.601 11.720 4.583 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.538 11.933 2.845 1.00 1.19 H new ATOM 982 N CYS A 74 14.574 14.850 2.281 1.00 0.98 N ATOM 983 CA CYS A 74 13.626 15.017 1.196 1.00 0.99 C ATOM 984 C CYS A 74 14.293 14.938 -0.171 1.00 1.15 C ATOM 985 O CYS A 74 15.207 15.697 -0.489 1.00 1.33 O ATOM 986 CB CYS A 74 12.846 16.322 1.359 1.00 1.13 C ATOM 987 SG CYS A 74 11.201 16.307 0.570 1.00 1.32 S ATOM 0 H CYS A 74 15.028 15.710 2.589 1.00 0.98 H new ATOM 0 HA CYS A 74 12.922 14.186 1.248 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.726 16.531 2.422 1.00 1.13 H new ATOM 0 HB3 CYS A 74 13.432 17.139 0.938 1.00 1.13 H new ATOM 992 N SER A 75 13.801 13.994 -0.968 1.00 1.14 N ATOM 993 CA SER A 75 14.285 13.752 -2.320 1.00 1.36 C ATOM 994 C SER A 75 13.484 14.589 -3.311 1.00 1.28 C ATOM 995 O SER A 75 12.602 15.345 -2.908 1.00 1.10 O ATOM 996 CB SER A 75 14.178 12.260 -2.652 1.00 1.46 C ATOM 997 OG SER A 75 15.454 11.709 -2.935 1.00 1.99 O ATOM 0 H SER A 75 13.045 13.369 -0.688 1.00 1.14 H new ATOM 0 HA SER A 75 15.333 14.044 -2.390 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.726 11.729 -1.814 1.00 1.46 H new ATOM 0 HB3 SER A 75 13.520 12.121 -3.510 1.00 1.46 H new ATOM 0 HG SER A 75 15.360 10.756 -3.142 1.00 1.99 H new ATOM 1003 N PRO A 76 13.775 14.490 -4.621 1.00 1.46 N ATOM 1004 CA PRO A 76 13.060 15.273 -5.633 1.00 1.42 C ATOM 1005 C PRO A 76 11.675 14.708 -5.958 1.00 1.18 C ATOM 1006 O PRO A 76 11.134 14.941 -7.037 1.00 1.22 O ATOM 1007 CB PRO A 76 13.979 15.178 -6.847 1.00 1.74 C ATOM 1008 CG PRO A 76 14.653 13.858 -6.702 1.00 1.86 C ATOM 1009 CD PRO A 76 14.821 13.633 -5.221 1.00 1.77 C ATOM 0 HA PRO A 76 12.864 16.292 -5.298 1.00 1.42 H new ATOM 0 HB2 PRO A 76 13.414 15.235 -7.778 1.00 1.74 H new ATOM 0 HB3 PRO A 76 14.702 15.993 -6.862 1.00 1.74 H new ATOM 0 HG2 PRO A 76 14.056 13.064 -7.151 1.00 1.86 H new ATOM 0 HG3 PRO A 76 15.618 13.856 -7.208 1.00 1.86 H new ATOM 0 HD2 PRO A 76 14.682 12.585 -4.956 1.00 1.77 H new ATOM 0 HD3 PRO A 76 15.817 13.918 -4.882 1.00 1.77 H new ATOM 1017 N ASP A 77 11.105 13.985 -4.999 1.00 0.99 N ATOM 1018 CA ASP A 77 9.777 13.402 -5.135 1.00 0.91 C ATOM 1019 C ASP A 77 9.087 13.417 -3.771 1.00 0.82 C ATOM 1020 O ASP A 77 7.925 13.812 -3.647 1.00 0.90 O ATOM 1021 CB ASP A 77 9.865 11.975 -5.686 1.00 1.16 C ATOM 1022 CG ASP A 77 9.953 11.945 -7.202 1.00 1.92 C ATOM 1023 OD1 ASP A 77 8.981 12.369 -7.861 1.00 2.65 O ATOM 1024 OD2 ASP A 77 10.993 11.496 -7.727 1.00 2.50 O ATOM 0 H ASP A 77 11.553 13.787 -4.104 1.00 0.99 H new ATOM 0 HA ASP A 77 9.192 13.991 -5.842 1.00 0.91 H new ATOM 0 HB2 ASP A 77 10.739 11.479 -5.264 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.991 11.409 -5.364 1.00 1.16 H new ATOM 1029 N GLY A 78 9.833 13.001 -2.749 1.00 0.88 N ATOM 1030 CA GLY A 78 9.315 12.993 -1.399 1.00 0.87 C ATOM 1031 C GLY A 78 10.408 13.220 -0.381 1.00 0.86 C ATOM 1032 O GLY A 78 11.410 13.862 -0.672 1.00 0.99 O ATOM 0 H GLY A 78 10.793 12.668 -2.838 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.555 13.767 -1.296 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.826 12.039 -1.202 1.00 0.87 H new ATOM 1036 N CYS A 79 10.215 12.683 0.811 1.00 0.79 N ATOM 1037 CA CYS A 79 11.192 12.822 1.883 1.00 0.80 C ATOM 1038 C CYS A 79 11.188 11.569 2.753 1.00 0.78 C ATOM 1039 O CYS A 79 10.269 10.761 2.674 1.00 0.89 O ATOM 1040 CB CYS A 79 10.943 14.087 2.723 1.00 0.94 C ATOM 1041 SG CYS A 79 9.954 15.397 1.906 1.00 1.34 S ATOM 0 H CYS A 79 9.387 12.144 1.064 1.00 0.79 H new ATOM 0 HA CYS A 79 12.179 12.934 1.433 1.00 0.80 H new ATOM 0 HB2 CYS A 79 10.438 13.796 3.644 1.00 0.94 H new ATOM 0 HB3 CYS A 79 11.907 14.508 3.007 1.00 0.94 H new ATOM 1046 N HIS A 80 12.236 11.371 3.551 1.00 0.71 N ATOM 1047 CA HIS A 80 12.316 10.181 4.401 1.00 0.76 C ATOM 1048 C HIS A 80 13.110 10.466 5.663 1.00 0.70 C ATOM 1049 O HIS A 80 13.870 11.426 5.728 1.00 0.67 O ATOM 1050 CB HIS A 80 12.949 8.997 3.656 1.00 0.87 C ATOM 1051 CG HIS A 80 13.739 9.383 2.448 1.00 0.99 C ATOM 1052 ND1 HIS A 80 15.102 9.585 2.478 1.00 1.64 N ATOM 1053 CD2 HIS A 80 13.353 9.608 1.170 1.00 1.76 C ATOM 1054 CE1 HIS A 80 15.522 9.917 1.270 1.00 2.09 C ATOM 1055 NE2 HIS A 80 14.481 9.938 0.460 1.00 2.17 N ATOM 0 H HIS A 80 13.030 12.007 3.628 1.00 0.71 H new ATOM 0 HA HIS A 80 11.294 9.915 4.673 1.00 0.76 H new ATOM 0 HB2 HIS A 80 13.599 8.456 4.343 1.00 0.87 H new ATOM 0 HB3 HIS A 80 12.160 8.308 3.355 1.00 0.87 H new ATOM 0 HD2 HIS A 80 12.347 9.541 0.782 1.00 1.76 H new ATOM 0 HE1 HIS A 80 16.543 10.134 0.993 1.00 2.09 H new ATOM 0 HE2 HIS A 80 14.509 10.163 -0.534 1.00 2.17 H new ATOM 1064 N GLU A 81 12.924 9.623 6.667 1.00 0.75 N ATOM 1065 CA GLU A 81 13.638 9.778 7.926 1.00 0.77 C ATOM 1066 C GLU A 81 15.132 9.602 7.685 1.00 0.72 C ATOM 1067 O GLU A 81 15.531 8.823 6.823 1.00 0.92 O ATOM 1068 CB GLU A 81 13.141 8.754 8.951 1.00 0.94 C ATOM 1069 CG GLU A 81 13.032 7.336 8.404 1.00 1.70 C ATOM 1070 CD GLU A 81 14.260 6.496 8.700 1.00 2.35 C ATOM 1071 OE1 GLU A 81 14.571 6.300 9.893 1.00 2.71 O ATOM 1072 OE2 GLU A 81 14.907 6.032 7.740 1.00 3.05 O ATOM 0 H GLU A 81 12.287 8.827 6.636 1.00 0.75 H new ATOM 0 HA GLU A 81 13.452 10.776 8.323 1.00 0.77 H new ATOM 0 HB2 GLU A 81 13.818 8.752 9.806 1.00 0.94 H new ATOM 0 HB3 GLU A 81 12.164 9.067 9.319 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.154 6.852 8.833 1.00 1.70 H new ATOM 0 HG3 GLU A 81 12.877 7.378 7.326 1.00 1.70 H new ATOM 1079 N ASP A 82 15.958 10.328 8.428 1.00 0.76 N ATOM 1080 CA ASP A 82 17.403 10.222 8.246 1.00 0.77 C ATOM 1081 C ASP A 82 18.164 10.391 9.571 1.00 0.96 C ATOM 1082 O ASP A 82 17.789 11.202 10.413 1.00 1.21 O ATOM 1083 CB ASP A 82 17.872 11.242 7.204 1.00 0.86 C ATOM 1084 CG ASP A 82 18.171 12.602 7.802 1.00 1.34 C ATOM 1085 OD1 ASP A 82 17.250 13.212 8.373 1.00 2.02 O ATOM 1086 OD2 ASP A 82 19.330 13.054 7.698 1.00 1.82 O ATOM 0 H ASP A 82 15.662 10.985 9.150 1.00 0.76 H new ATOM 0 HA ASP A 82 17.626 9.218 7.884 1.00 0.77 H new ATOM 0 HB2 ASP A 82 18.767 10.864 6.710 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.105 11.349 6.437 1.00 0.86 H new ATOM 1091 N PRO A 83 19.237 9.602 9.784 1.00 1.15 N ATOM 1092 CA PRO A 83 20.032 9.651 11.016 1.00 1.42 C ATOM 1093 C PRO A 83 21.046 10.795 11.047 1.00 1.28 C ATOM 1094 O PRO A 83 21.510 11.189 12.117 1.00 1.40 O ATOM 1095 CB PRO A 83 20.769 8.300 11.027 1.00 1.81 C ATOM 1096 CG PRO A 83 20.305 7.556 9.812 1.00 1.93 C ATOM 1097 CD PRO A 83 19.752 8.583 8.867 1.00 1.42 C ATOM 0 HA PRO A 83 19.393 9.825 11.881 1.00 1.42 H new ATOM 0 HB2 PRO A 83 21.849 8.446 11.004 1.00 1.81 H new ATOM 0 HB3 PRO A 83 20.542 7.741 11.935 1.00 1.81 H new ATOM 0 HG2 PRO A 83 21.130 7.011 9.353 1.00 1.93 H new ATOM 0 HG3 PRO A 83 19.544 6.821 10.075 1.00 1.93 H new ATOM 0 HD2 PRO A 83 20.520 8.982 8.205 1.00 1.42 H new ATOM 0 HD3 PRO A 83 18.967 8.172 8.233 1.00 1.42 H new ATOM 1105 N ALA A 84 21.402 11.316 9.881 1.00 1.13 N ATOM 1106 CA ALA A 84 22.363 12.407 9.809 1.00 1.17 C ATOM 1107 C ALA A 84 21.786 13.672 10.423 1.00 1.20 C ATOM 1108 O ALA A 84 22.471 14.402 11.140 1.00 1.53 O ATOM 1109 CB ALA A 84 22.779 12.661 8.371 1.00 1.21 C ATOM 0 H ALA A 84 21.043 11.004 8.979 1.00 1.13 H new ATOM 0 HA ALA A 84 23.246 12.118 10.378 1.00 1.17 H new ATOM 0 HB1 ALA A 84 23.497 13.480 8.339 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.236 11.761 7.960 1.00 1.21 H new ATOM 0 HB3 ALA A 84 21.902 12.925 7.780 1.00 1.21 H new ATOM 1115 N CYS A 85 20.520 13.918 10.144 1.00 1.02 N ATOM 1116 CA CYS A 85 19.837 15.085 10.672 1.00 1.19 C ATOM 1117 C CYS A 85 19.041 14.710 11.921 1.00 1.46 C ATOM 1118 O CYS A 85 18.043 15.337 12.264 1.00 1.88 O ATOM 1119 CB CYS A 85 18.922 15.666 9.603 1.00 1.15 C ATOM 1120 SG CYS A 85 19.778 16.417 8.195 1.00 1.42 S ATOM 0 H CYS A 85 19.941 13.323 9.552 1.00 1.02 H new ATOM 0 HA CYS A 85 20.573 15.839 10.952 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.270 14.874 9.233 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.281 16.418 10.063 1.00 1.15 H new ATOM 1125 N ASP A 86 19.509 13.681 12.596 1.00 1.53 N ATOM 1126 CA ASP A 86 18.889 13.184 13.814 1.00 1.90 C ATOM 1127 C ASP A 86 19.233 14.072 14.984 1.00 1.82 C ATOM 1128 O ASP A 86 18.360 14.446 15.768 1.00 2.29 O ATOM 1129 CB ASP A 86 19.344 11.752 14.104 1.00 2.43 C ATOM 1130 CG ASP A 86 18.226 10.863 14.617 1.00 3.07 C ATOM 1131 OD1 ASP A 86 17.724 11.124 15.730 1.00 3.47 O ATOM 1132 OD2 ASP A 86 17.860 9.901 13.910 1.00 3.60 O ATOM 0 H ASP A 86 20.339 13.159 12.315 1.00 1.53 H new ATOM 0 HA ASP A 86 17.809 13.190 13.669 1.00 1.90 H new ATOM 0 HB2 ASP A 86 19.757 11.317 13.194 1.00 2.43 H new ATOM 0 HB3 ASP A 86 20.148 11.775 14.839 1.00 2.43 H new ATOM 1363 N CYS B 110 -1.693 1.404 14.860 1.00 2.52 N ATOM 1364 CA CYS B 110 -0.504 2.231 14.632 1.00 1.89 C ATOM 1365 C CYS B 110 -0.351 3.355 15.675 1.00 1.69 C ATOM 1366 O CYS B 110 -1.147 4.294 15.676 1.00 1.94 O ATOM 1367 CB CYS B 110 -0.485 2.774 13.202 1.00 2.23 C ATOM 1368 SG CYS B 110 0.002 1.559 11.922 1.00 2.61 S ATOM 0 HA CYS B 110 0.364 1.585 14.759 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -1.477 3.156 12.961 1.00 2.23 H new ATOM 0 HB3 CYS B 110 0.201 3.620 13.159 1.00 2.23 H new ATOM 0 HG CYS B 110 -0.019 2.128 10.753 1.00 2.61 H new ATOM 1373 N LEU B 111 0.659 3.270 16.544 1.00 1.46 N ATOM 1374 CA LEU B 111 0.907 4.296 17.588 1.00 1.37 C ATOM 1375 C LEU B 111 0.330 5.687 17.235 1.00 1.20 C ATOM 1376 O LEU B 111 0.462 6.156 16.104 1.00 1.18 O ATOM 1377 CB LEU B 111 2.414 4.425 17.833 1.00 1.54 C ATOM 1378 CG LEU B 111 2.803 4.872 19.244 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.678 3.713 20.221 1.00 2.47 C ATOM 1380 CD2 LEU B 111 4.215 5.435 19.255 1.00 2.26 C ATOM 0 H LEU B 111 1.328 2.500 16.554 1.00 1.46 H new ATOM 0 HA LEU B 111 0.391 3.956 18.486 1.00 1.37 H new ATOM 0 HB2 LEU B 111 2.884 3.462 17.630 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.824 5.137 17.116 1.00 1.54 H new ATOM 0 HG LEU B 111 2.119 5.661 19.558 1.00 1.90 H new ATOM 0 HD11 LEU B 111 2.958 4.047 21.220 1.00 2.47 H new ATOM 0 HD12 LEU B 111 1.648 3.357 20.233 1.00 2.47 H new ATOM 0 HD13 LEU B 111 3.338 2.903 19.911 1.00 2.47 H new ATOM 0 HD21 LEU B 111 4.474 5.748 20.267 1.00 2.26 H new ATOM 0 HD22 LEU B 111 4.915 4.669 18.921 1.00 2.26 H new ATOM 0 HD23 LEU B 111 4.270 6.293 18.585 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.357 6.339 18.206 1.00 1.19 N ATOM 1393 CA PRO B 112 -0.985 7.655 18.005 1.00 1.12 C ATOM 1394 C PRO B 112 0.008 8.825 17.813 1.00 1.03 C ATOM 1395 O PRO B 112 1.092 8.866 18.399 1.00 1.06 O ATOM 1396 CB PRO B 112 -1.858 7.849 19.247 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.299 6.934 20.280 1.00 1.47 C ATOM 1398 CD PRO B 112 -0.617 5.806 19.555 1.00 1.37 C ATOM 0 HA PRO B 112 -1.549 7.667 17.072 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -1.832 8.885 19.586 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -2.900 7.609 19.034 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -0.592 7.463 20.920 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.091 6.553 20.925 1.00 1.47 H new ATOM 0 HD2 PRO B 112 0.309 5.516 20.053 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.249 4.919 19.516 1.00 1.37 H new ATOM 1406 N CYS B 113 -0.478 9.816 17.054 1.00 0.94 N ATOM 1407 CA CYS B 113 0.300 11.054 16.811 1.00 0.90 C ATOM 1408 C CYS B 113 -0.520 12.272 16.380 1.00 0.91 C ATOM 1409 O CYS B 113 -1.743 12.219 16.269 1.00 1.00 O ATOM 1410 CB CYS B 113 1.471 10.785 15.850 1.00 0.83 C ATOM 1411 SG CYS B 113 1.319 11.500 14.178 1.00 0.87 S ATOM 0 H CYS B 113 -1.391 9.794 16.601 1.00 0.94 H new ATOM 0 HA CYS B 113 0.694 11.336 17.787 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.384 11.169 16.306 1.00 0.83 H new ATOM 0 HB3 CYS B 113 1.593 9.706 15.752 1.00 0.83 H new ATOM 1416 N GLY B 114 0.189 13.394 16.205 1.00 0.92 N ATOM 1417 CA GLY B 114 -0.452 14.661 15.890 1.00 0.99 C ATOM 1418 C GLY B 114 -1.061 15.272 17.150 1.00 1.11 C ATOM 1419 O GLY B 114 -0.678 14.888 18.253 1.00 1.16 O ATOM 0 H GLY B 114 1.205 13.443 16.278 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.276 15.348 15.459 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -1.228 14.508 15.140 1.00 0.99 H new ATOM 1423 N PRO B 115 -2.016 16.204 17.035 1.00 1.19 N ATOM 1424 CA PRO B 115 -2.690 16.846 18.188 1.00 1.33 C ATOM 1425 C PRO B 115 -3.499 15.883 19.051 1.00 1.40 C ATOM 1426 O PRO B 115 -4.611 15.485 18.711 1.00 1.57 O ATOM 1427 CB PRO B 115 -3.632 17.821 17.516 1.00 1.46 C ATOM 1428 CG PRO B 115 -3.956 17.018 16.349 1.00 1.39 C ATOM 1429 CD PRO B 115 -2.608 16.694 15.798 1.00 1.21 C ATOM 0 HA PRO B 115 -1.963 17.284 18.872 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -4.505 18.058 18.125 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -3.154 18.767 17.262 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -4.512 16.119 16.616 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -4.566 17.569 15.633 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -2.637 15.942 15.010 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -2.091 17.563 15.391 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.906 15.502 20.131 1.00 1.35 N ATOM 1438 CA GLY B 116 -3.530 14.592 21.074 1.00 1.48 C ATOM 1439 C GLY B 116 -3.372 13.166 20.659 1.00 1.44 C ATOM 1440 O GLY B 116 -3.905 12.253 21.285 1.00 1.70 O ATOM 0 H GLY B 116 -1.970 15.806 20.400 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -3.090 14.734 22.061 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.590 14.830 21.161 1.00 1.48 H new ATOM 1444 N GLY B 117 -2.625 12.988 19.606 1.00 1.29 N ATOM 1445 CA GLY B 117 -2.412 11.693 19.143 1.00 1.26 C ATOM 1446 C GLY B 117 -3.630 11.038 18.512 1.00 1.26 C ATOM 1447 O GLY B 117 -3.956 9.888 18.795 1.00 1.38 O ATOM 0 H GLY B 117 -2.169 13.729 19.074 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -1.605 11.711 18.410 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -2.073 11.075 19.975 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.279 11.779 17.631 1.00 1.19 N ATOM 1452 CA LYS B 118 -5.405 11.267 16.868 1.00 1.25 C ATOM 1453 C LYS B 118 -4.836 10.704 15.561 1.00 1.15 C ATOM 1454 O LYS B 118 -5.545 10.553 14.564 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.417 12.379 16.559 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.070 13.723 17.172 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.274 14.375 17.805 1.00 1.78 C ATOM 1458 CE LYS B 118 -7.363 15.847 17.443 1.00 1.95 C ATOM 1459 NZ LYS B 118 -7.613 16.051 15.988 1.00 2.54 N ATOM 0 H LYS B 118 -4.042 12.749 17.424 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.930 10.501 17.439 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -6.494 12.494 15.478 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.399 12.071 16.918 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -5.291 13.590 17.923 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.663 14.379 16.403 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -8.180 13.863 17.479 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -7.220 14.268 18.888 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -8.164 16.314 18.017 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.436 16.346 17.725 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -8.076 16.971 15.841 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -6.709 16.032 15.474 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -8.229 15.293 15.632 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.516 10.499 15.557 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.842 10.058 14.359 1.00 0.97 C ATOM 1475 C GLY B 119 -2.248 8.678 14.413 1.00 0.93 C ATOM 1476 O GLY B 119 -2.461 7.911 15.357 1.00 1.02 O ATOM 0 H GLY B 119 -2.909 10.633 16.366 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.550 10.096 13.531 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.046 10.767 14.131 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.483 8.369 13.379 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.846 7.088 13.257 1.00 0.87 C ATOM 1482 C ARG B 120 0.500 7.255 12.546 1.00 0.80 C ATOM 1483 O ARG B 120 0.618 8.042 11.601 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.777 6.178 12.473 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.582 5.233 13.346 1.00 1.16 C ATOM 1486 CD ARG B 120 -4.046 5.180 12.940 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.214 4.836 11.532 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.778 5.638 10.630 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -5.205 6.848 10.973 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -4.907 5.229 9.377 1.00 2.89 N ATOM 0 H ARG B 120 -1.292 9.006 12.606 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.652 6.648 14.235 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -2.462 6.791 11.888 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -1.189 5.593 11.766 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -2.154 4.232 13.286 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.507 5.550 14.386 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.566 4.447 13.556 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -4.511 6.147 13.134 1.00 1.60 H new ATOM 0 HE ARG B 120 -3.879 3.925 11.219 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.103 7.171 11.935 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.635 7.454 10.274 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -4.575 4.303 9.106 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -5.338 5.840 8.683 1.00 2.89 H new ATOM 1504 N CYS B 121 1.520 6.543 13.028 1.00 0.82 N ATOM 1505 CA CYS B 121 2.868 6.667 12.470 1.00 0.81 C ATOM 1506 C CYS B 121 3.286 5.451 11.657 1.00 0.85 C ATOM 1507 O CYS B 121 2.717 4.367 11.779 1.00 1.05 O ATOM 1508 CB CYS B 121 3.898 6.879 13.595 1.00 0.91 C ATOM 1509 SG CYS B 121 3.269 7.747 15.072 1.00 1.07 S ATOM 0 H CYS B 121 1.440 5.879 13.798 1.00 0.82 H new ATOM 0 HA CYS B 121 2.841 7.529 11.803 1.00 0.81 H new ATOM 0 HB2 CYS B 121 4.283 5.906 13.901 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.740 7.443 13.193 1.00 0.91 H new ATOM 1514 N PHE B 122 4.299 5.664 10.817 1.00 0.76 N ATOM 1515 CA PHE B 122 4.838 4.617 9.952 1.00 0.84 C ATOM 1516 C PHE B 122 6.370 4.575 10.034 1.00 0.95 C ATOM 1517 O PHE B 122 7.016 3.868 9.261 1.00 1.44 O ATOM 1518 CB PHE B 122 4.404 4.868 8.502 1.00 0.86 C ATOM 1519 CG PHE B 122 2.925 4.714 8.287 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.040 5.688 8.727 1.00 1.41 C ATOM 1521 CD2 PHE B 122 2.417 3.585 7.664 1.00 1.42 C ATOM 1522 CE1 PHE B 122 0.676 5.538 8.548 1.00 1.53 C ATOM 1523 CE2 PHE B 122 1.055 3.428 7.486 1.00 1.50 C ATOM 1524 CZ PHE B 122 0.183 4.405 7.928 1.00 1.15 C ATOM 0 H PHE B 122 4.767 6.565 10.718 1.00 0.76 H new ATOM 0 HA PHE B 122 4.448 3.657 10.289 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.703 5.875 8.210 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.933 4.176 7.847 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.420 6.573 9.215 1.00 1.41 H new ATOM 0 HD2 PHE B 122 3.093 2.819 7.314 1.00 1.42 H new ATOM 0 HE1 PHE B 122 -0.002 6.305 8.892 1.00 1.53 H new ATOM 0 HE2 PHE B 122 0.672 2.542 7.002 1.00 1.50 H new ATOM 0 HZ PHE B 122 -0.881 4.284 7.789 1.00 1.15 H new ATOM 1534 N GLY B 123 6.946 5.335 10.973 1.00 0.84 N ATOM 1535 CA GLY B 123 8.393 5.366 11.125 1.00 0.89 C ATOM 1536 C GLY B 123 8.838 6.286 12.254 1.00 0.89 C ATOM 1537 O GLY B 123 8.027 6.665 13.100 1.00 0.90 O ATOM 0 H GLY B 123 6.435 5.927 11.628 1.00 0.84 H new ATOM 0 HA2 GLY B 123 8.757 4.357 11.317 1.00 0.89 H new ATOM 0 HA3 GLY B 123 8.847 5.696 10.191 1.00 0.89 H new ATOM 1541 N PRO B 124 10.131 6.664 12.297 1.00 1.02 N ATOM 1542 CA PRO B 124 10.666 7.546 13.341 1.00 1.08 C ATOM 1543 C PRO B 124 10.144 8.978 13.215 1.00 0.96 C ATOM 1544 O PRO B 124 9.331 9.423 14.025 1.00 1.02 O ATOM 1545 CB PRO B 124 12.189 7.501 13.124 1.00 1.33 C ATOM 1546 CG PRO B 124 12.426 6.386 12.161 1.00 1.51 C ATOM 1547 CD PRO B 124 11.172 6.264 11.343 1.00 1.26 C ATOM 0 HA PRO B 124 10.364 7.220 14.336 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.556 8.447 12.726 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.713 7.325 14.063 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.286 6.597 11.526 1.00 1.51 H new ATOM 0 HG3 PRO B 124 12.639 5.456 12.688 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.193 6.914 10.469 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.021 5.247 10.980 1.00 1.26 H new ATOM 1555 N SER B 125 10.605 9.699 12.190 1.00 0.97 N ATOM 1556 CA SER B 125 10.163 11.077 11.967 1.00 0.92 C ATOM 1557 C SER B 125 9.103 11.114 10.881 1.00 0.76 C ATOM 1558 O SER B 125 9.044 12.048 10.088 1.00 0.78 O ATOM 1559 CB SER B 125 11.350 11.979 11.568 1.00 1.12 C ATOM 1560 OG SER B 125 11.657 12.903 12.599 1.00 1.25 O ATOM 0 H SER B 125 11.279 9.355 11.506 1.00 0.97 H new ATOM 0 HA SER B 125 9.740 11.454 12.898 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.224 11.363 11.355 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.109 12.518 10.652 1.00 1.12 H new ATOM 0 HG SER B 125 12.413 13.462 12.323 1.00 1.25 H new ATOM 1566 N ILE B 126 8.287 10.074 10.829 1.00 0.70 N ATOM 1567 CA ILE B 126 7.261 9.981 9.820 1.00 0.60 C ATOM 1568 C ILE B 126 5.950 9.450 10.388 1.00 0.57 C ATOM 1569 O ILE B 126 5.897 8.340 10.920 1.00 0.74 O ATOM 1570 CB ILE B 126 7.734 9.082 8.675 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.204 9.371 8.354 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.853 9.284 7.465 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.847 8.316 7.486 1.00 0.85 C ATOM 0 H ILE B 126 8.320 9.286 11.476 1.00 0.70 H new ATOM 0 HA ILE B 126 7.076 10.988 9.445 1.00 0.60 H new ATOM 0 HB ILE B 126 7.657 8.037 8.977 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.276 10.336 7.853 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.762 9.454 9.286 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.196 8.641 6.654 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.823 9.031 7.718 1.00 0.72 H new ATOM 0 HG23 ILE B 126 6.903 10.326 7.148 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.887 8.584 7.298 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.807 7.353 7.994 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.312 8.249 6.538 1.00 0.85 H new ATOM 1585 N CYS B 127 4.895 10.250 10.273 1.00 0.54 N ATOM 1586 CA CYS B 127 3.577 9.874 10.776 1.00 0.53 C ATOM 1587 C CYS B 127 2.498 10.355 9.824 1.00 0.53 C ATOM 1588 O CYS B 127 2.426 11.557 9.540 1.00 0.56 O ATOM 1589 CB CYS B 127 3.358 10.487 12.161 1.00 0.56 C ATOM 1590 SG CYS B 127 1.823 9.954 12.971 1.00 0.89 S ATOM 0 H CYS B 127 4.927 11.169 9.833 1.00 0.54 H new ATOM 0 HA CYS B 127 3.523 8.788 10.851 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.202 10.227 12.799 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.350 11.573 12.069 1.00 0.56 H new ATOM 1595 N CYS B 128 1.660 9.439 9.298 1.00 0.53 N ATOM 1596 CA CYS B 128 0.625 9.883 8.350 1.00 0.56 C ATOM 1597 C CYS B 128 -0.816 9.487 8.752 1.00 0.60 C ATOM 1598 O CYS B 128 -1.012 8.492 9.455 1.00 0.76 O ATOM 1599 CB CYS B 128 0.923 9.352 6.939 1.00 0.63 C ATOM 1600 SG CYS B 128 2.625 8.729 6.658 1.00 1.23 S ATOM 0 H CYS B 128 1.676 8.439 9.500 1.00 0.53 H new ATOM 0 HA CYS B 128 0.666 10.972 8.367 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.222 8.547 6.720 1.00 0.63 H new ATOM 0 HB3 CYS B 128 0.726 10.150 6.223 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.828 10.219 8.235 1.00 0.60 N ATOM 1606 CA GLY B 129 -3.205 9.910 8.489 1.00 0.65 C ATOM 1607 C GLY B 129 -4.098 10.412 7.358 1.00 0.66 C ATOM 1608 O GLY B 129 -3.625 10.976 6.376 1.00 0.64 O ATOM 0 H GLY B 129 -1.688 11.032 7.636 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -3.325 8.832 8.600 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.515 10.364 9.430 1.00 0.65 H new ATOM 1612 N ASP B 130 -5.390 10.222 7.538 1.00 0.72 N ATOM 1613 CA ASP B 130 -6.420 10.631 6.593 1.00 0.76 C ATOM 1614 C ASP B 130 -6.471 12.142 6.463 1.00 0.77 C ATOM 1615 O ASP B 130 -6.307 12.704 5.374 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.765 10.065 7.037 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.007 10.214 8.528 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.304 9.542 9.308 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -8.895 10.999 8.910 1.00 1.96 O ATOM 0 H ASP B 130 -5.767 9.766 8.369 1.00 0.72 H new ATOM 0 HA ASP B 130 -6.180 10.234 5.607 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -8.563 10.570 6.493 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.815 9.009 6.770 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.597 12.799 7.588 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.545 14.238 7.585 1.00 0.85 C ATOM 1626 C GLU B 131 -5.417 14.615 8.471 1.00 0.89 C ATOM 1627 O GLU B 131 -5.354 15.739 8.945 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.836 14.795 8.236 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.699 13.749 8.952 1.00 1.02 C ATOM 1630 CD GLU B 131 -9.906 14.343 9.668 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.836 14.823 8.979 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -9.929 14.329 10.920 1.00 1.69 O ATOM 0 H GLU B 131 -6.734 12.369 8.503 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.437 14.622 6.571 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.560 15.569 8.952 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.438 15.275 7.464 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -9.044 13.014 8.224 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.083 13.216 9.676 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.407 13.830 8.518 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.245 14.118 9.231 1.00 0.89 C ATOM 1641 C LEU B 132 -2.081 13.757 8.320 1.00 0.83 C ATOM 1642 O LEU B 132 -0.923 13.779 8.741 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.268 13.231 10.447 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.474 13.941 11.792 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.632 12.930 12.909 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.344 14.905 12.094 1.00 1.38 C ATOM 0 H LEU B 132 -4.378 12.932 8.035 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.160 15.161 9.536 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -4.063 12.496 10.321 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.328 12.681 10.489 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.391 14.525 11.721 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.777 13.452 13.855 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.496 12.297 12.708 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.736 12.312 12.970 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.525 15.389 13.054 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.401 14.359 12.135 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.292 15.661 11.311 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.415 13.468 7.045 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.458 13.147 6.061 1.00 0.70 C ATOM 1660 C GLY B 133 -0.178 12.564 6.603 1.00 0.66 C ATOM 1661 O GLY B 133 -0.230 11.691 7.436 1.00 0.65 O ATOM 0 H GLY B 133 -3.376 13.461 6.704 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.899 12.437 5.361 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.221 14.048 5.494 1.00 0.70 H new ATOM 1665 N CYS B 134 0.948 13.111 6.208 1.00 0.69 N ATOM 1666 CA CYS B 134 2.217 12.643 6.731 1.00 0.68 C ATOM 1667 C CYS B 134 3.109 13.780 7.110 1.00 0.64 C ATOM 1668 O CYS B 134 3.495 14.592 6.275 1.00 0.62 O ATOM 1669 CB CYS B 134 2.902 11.664 5.801 1.00 0.72 C ATOM 1670 SG CYS B 134 3.827 10.372 6.687 1.00 1.08 S ATOM 0 H CYS B 134 1.015 13.873 5.533 1.00 0.69 H new ATOM 0 HA CYS B 134 1.996 12.090 7.644 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.154 11.194 5.162 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.584 12.208 5.147 1.00 0.72 H new ATOM 1675 N PHE B 135 3.542 13.733 8.360 1.00 0.67 N ATOM 1676 CA PHE B 135 4.494 14.674 8.840 1.00 0.66 C ATOM 1677 C PHE B 135 5.776 13.924 8.780 1.00 0.64 C ATOM 1678 O PHE B 135 6.029 13.053 9.614 1.00 0.64 O ATOM 1679 CB PHE B 135 4.202 15.078 10.290 1.00 0.70 C ATOM 1680 CG PHE B 135 2.795 15.534 10.509 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.778 14.610 10.679 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.483 16.883 10.511 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.474 15.023 10.845 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.179 17.302 10.684 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.173 16.373 10.848 1.00 1.23 C ATOM 0 H PHE B 135 3.238 13.045 9.048 1.00 0.67 H new ATOM 0 HA PHE B 135 4.491 15.597 8.260 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.407 14.230 10.944 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.884 15.877 10.581 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.009 13.555 10.682 1.00 0.96 H new ATOM 0 HD2 PHE B 135 3.267 17.614 10.376 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.312 14.294 10.973 1.00 1.19 H new ATOM 0 HE2 PHE B 135 0.947 18.357 10.691 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.848 16.699 10.979 1.00 1.23 H new ATOM 1695 N VAL B 136 6.591 14.237 7.815 1.00 0.66 N ATOM 1696 CA VAL B 136 7.832 13.548 7.712 1.00 0.68 C ATOM 1697 C VAL B 136 8.893 14.455 8.291 1.00 0.71 C ATOM 1698 O VAL B 136 9.555 15.232 7.597 1.00 0.74 O ATOM 1699 CB VAL B 136 8.121 13.087 6.258 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.110 11.933 6.248 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.817 12.667 5.566 1.00 0.74 C ATOM 0 H VAL B 136 6.420 14.949 7.105 1.00 0.66 H new ATOM 0 HA VAL B 136 7.813 12.618 8.280 1.00 0.68 H new ATOM 0 HB VAL B 136 8.559 13.924 5.713 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.299 11.625 5.220 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.045 12.251 6.709 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.696 11.094 6.808 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.033 12.346 4.547 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.361 11.844 6.117 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.129 13.512 5.542 1.00 0.74 H new ATOM 1711 N GLY B 137 9.006 14.353 9.610 1.00 0.72 N ATOM 1712 CA GLY B 137 9.970 15.163 10.343 1.00 0.76 C ATOM 1713 C GLY B 137 9.382 15.973 11.495 1.00 0.73 C ATOM 1714 O GLY B 137 9.565 15.626 12.665 1.00 0.83 O ATOM 0 H GLY B 137 8.448 13.724 10.188 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.748 14.509 10.737 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.453 15.848 9.646 1.00 0.76 H new ATOM 1718 N THR B 138 8.724 17.083 11.152 1.00 0.69 N ATOM 1719 CA THR B 138 8.133 18.007 12.133 1.00 0.70 C ATOM 1720 C THR B 138 7.610 17.332 13.397 1.00 0.73 C ATOM 1721 O THR B 138 6.810 16.401 13.345 1.00 0.77 O ATOM 1722 CB THR B 138 7.002 18.813 11.499 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.441 19.715 12.441 1.00 0.78 O ATOM 1724 CG2 THR B 138 5.884 17.948 10.976 1.00 0.77 C ATOM 0 H THR B 138 8.584 17.370 10.183 1.00 0.69 H new ATOM 0 HA THR B 138 8.952 18.659 12.437 1.00 0.70 H new ATOM 0 HB THR B 138 7.455 19.346 10.663 1.00 0.73 H new ATOM 0 HG1 THR B 138 5.881 20.370 11.974 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.111 18.579 10.538 1.00 0.77 H new ATOM 0 HG22 THR B 138 6.273 17.270 10.216 1.00 0.77 H new ATOM 0 HG23 THR B 138 5.458 17.369 11.795 1.00 0.77 H new ATOM 1732 N ALA B 139 8.153 17.810 14.521 1.00 0.79 N ATOM 1733 CA ALA B 139 7.839 17.290 15.861 1.00 0.88 C ATOM 1734 C ALA B 139 6.467 16.608 15.927 1.00 0.83 C ATOM 1735 O ALA B 139 6.322 15.578 16.576 1.00 0.87 O ATOM 1736 CB ALA B 139 7.915 18.409 16.892 1.00 1.04 C ATOM 0 H ALA B 139 8.828 18.574 14.529 1.00 0.79 H new ATOM 0 HA ALA B 139 8.586 16.529 16.087 1.00 0.88 H new ATOM 0 HB1 ALA B 139 7.680 18.011 17.879 1.00 1.04 H new ATOM 0 HB2 ALA B 139 8.921 18.829 16.900 1.00 1.04 H new ATOM 0 HB3 ALA B 139 7.198 19.189 16.636 1.00 1.04 H new ATOM 1742 N GLU B 140 5.477 17.156 15.222 1.00 0.79 N ATOM 1743 CA GLU B 140 4.124 16.576 15.161 1.00 0.79 C ATOM 1744 C GLU B 140 4.159 15.066 14.866 1.00 0.73 C ATOM 1745 O GLU B 140 3.157 14.369 14.998 1.00 0.79 O ATOM 1746 CB GLU B 140 3.283 17.298 14.103 1.00 0.83 C ATOM 1747 CG GLU B 140 2.171 18.148 14.694 1.00 1.27 C ATOM 1748 CD GLU B 140 1.499 19.035 13.664 1.00 1.55 C ATOM 1749 OE1 GLU B 140 2.153 19.979 13.176 1.00 2.31 O ATOM 1750 OE2 GLU B 140 0.317 18.782 13.344 1.00 1.90 O ATOM 0 H GLU B 140 5.584 18.012 14.677 1.00 0.79 H new ATOM 0 HA GLU B 140 3.667 16.712 16.141 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.935 17.932 13.502 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.847 16.560 13.430 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.424 17.497 15.148 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.579 18.769 15.491 1.00 1.27 H new ATOM 1757 N ALA B 141 5.352 14.586 14.553 1.00 0.69 N ATOM 1758 CA ALA B 141 5.583 13.182 14.305 1.00 0.70 C ATOM 1759 C ALA B 141 6.584 12.623 15.296 1.00 0.77 C ATOM 1760 O ALA B 141 6.415 11.511 15.776 1.00 0.87 O ATOM 1761 CB ALA B 141 6.055 12.963 12.878 1.00 0.75 C ATOM 0 H ALA B 141 6.187 15.166 14.465 1.00 0.69 H new ATOM 0 HA ALA B 141 4.641 12.649 14.437 1.00 0.70 H new ATOM 0 HB1 ALA B 141 6.224 11.899 12.710 1.00 0.75 H new ATOM 0 HB2 ALA B 141 5.296 13.324 12.184 1.00 0.75 H new ATOM 0 HB3 ALA B 141 6.985 13.508 12.715 1.00 0.75 H new ATOM 1767 N LEU B 142 7.682 13.359 15.505 1.00 0.80 N ATOM 1768 CA LEU B 142 8.796 12.903 16.332 1.00 0.93 C ATOM 1769 C LEU B 142 8.412 12.125 17.579 1.00 1.06 C ATOM 1770 O LEU B 142 9.213 11.327 18.067 1.00 1.24 O ATOM 1771 CB LEU B 142 9.751 14.068 16.596 1.00 0.97 C ATOM 1772 CG LEU B 142 9.470 15.101 17.720 1.00 1.01 C ATOM 1773 CD1 LEU B 142 8.201 14.856 18.516 1.00 1.11 C ATOM 1774 CD2 LEU B 142 10.669 15.198 18.652 1.00 1.14 C ATOM 0 H LEU B 142 7.819 14.287 15.104 1.00 0.80 H new ATOM 0 HA LEU B 142 9.324 12.144 15.755 1.00 0.93 H new ATOM 0 HB2 LEU B 142 10.731 13.636 16.799 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.836 14.627 15.664 1.00 0.97 H new ATOM 0 HG LEU B 142 9.305 16.049 17.207 1.00 1.01 H new ATOM 0 HD11 LEU B 142 8.093 15.630 19.276 1.00 1.11 H new ATOM 0 HD12 LEU B 142 7.341 14.882 17.847 1.00 1.11 H new ATOM 0 HD13 LEU B 142 8.256 13.880 18.997 1.00 1.11 H new ATOM 0 HD21 LEU B 142 10.462 15.925 19.437 1.00 1.14 H new ATOM 0 HD22 LEU B 142 10.860 14.224 19.101 1.00 1.14 H new ATOM 0 HD23 LEU B 142 11.545 15.515 18.086 1.00 1.14 H new ATOM 1786 N ARG B 143 7.183 12.250 18.042 1.00 1.06 N ATOM 1787 CA ARG B 143 6.765 11.438 19.155 1.00 1.26 C ATOM 1788 C ARG B 143 6.669 10.008 18.642 1.00 1.27 C ATOM 1789 O ARG B 143 6.610 9.043 19.413 1.00 1.49 O ATOM 1790 CB ARG B 143 5.419 11.931 19.720 1.00 1.35 C ATOM 1791 CG ARG B 143 4.215 11.055 19.384 1.00 1.36 C ATOM 1792 CD ARG B 143 4.073 9.892 20.354 1.00 1.50 C ATOM 1793 NE ARG B 143 2.672 9.524 20.555 1.00 1.90 N ATOM 1794 CZ ARG B 143 1.980 9.769 21.668 1.00 2.20 C ATOM 1795 NH1 ARG B 143 2.545 10.384 22.699 1.00 2.36 N ATOM 1796 NH2 ARG B 143 0.709 9.403 21.744 1.00 2.93 N ATOM 0 H ARG B 143 6.478 12.889 17.674 1.00 1.06 H new ATOM 0 HA ARG B 143 7.479 11.499 19.976 1.00 1.26 H new ATOM 0 HB2 ARG B 143 5.503 12.005 20.804 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.232 12.937 19.345 1.00 1.35 H new ATOM 0 HG2 ARG B 143 3.308 11.660 19.407 1.00 1.36 H new ATOM 0 HG3 ARG B 143 4.317 10.671 18.369 1.00 1.36 H new ATOM 0 HD2 ARG B 143 4.624 9.032 19.974 1.00 1.50 H new ATOM 0 HD3 ARG B 143 4.520 10.160 21.311 1.00 1.50 H new ATOM 0 HE ARG B 143 2.192 9.047 19.792 1.00 1.90 H new ATOM 0 HH11 ARG B 143 3.521 10.676 22.646 1.00 2.36 H new ATOM 0 HH12 ARG B 143 2.003 10.565 23.544 1.00 2.36 H new ATOM 0 HH21 ARG B 143 0.265 8.936 20.953 1.00 2.93 H new ATOM 0 HH22 ARG B 143 0.175 9.588 22.593 1.00 2.93 H new ATOM 1810 N CYS B 144 6.777 9.864 17.312 1.00 1.10 N ATOM 1811 CA CYS B 144 6.779 8.565 16.673 1.00 1.17 C ATOM 1812 C CYS B 144 8.207 8.039 16.586 1.00 1.44 C ATOM 1813 O CYS B 144 8.514 7.161 15.784 1.00 1.61 O ATOM 1814 CB CYS B 144 6.177 8.699 15.267 1.00 1.05 C ATOM 1815 SG CYS B 144 4.479 9.372 15.243 1.00 1.26 S ATOM 0 H CYS B 144 6.864 10.647 16.664 1.00 1.10 H new ATOM 0 HA CYS B 144 6.183 7.863 17.256 1.00 1.17 H new ATOM 0 HB2 CYS B 144 6.820 9.344 14.668 1.00 1.05 H new ATOM 0 HB3 CYS B 144 6.175 7.719 14.790 1.00 1.05 H new ATOM 1820 N GLN B 145 9.046 8.494 17.505 1.00 1.58 N ATOM 1821 CA GLN B 145 10.406 8.005 17.582 1.00 1.89 C ATOM 1822 C GLN B 145 10.421 6.839 18.540 1.00 2.14 C ATOM 1823 O GLN B 145 11.311 5.984 18.515 1.00 2.40 O ATOM 1824 CB GLN B 145 11.379 9.095 18.029 1.00 2.00 C ATOM 1825 CG GLN B 145 12.797 8.870 17.522 1.00 2.43 C ATOM 1826 CD GLN B 145 13.573 10.160 17.344 1.00 2.77 C ATOM 1827 OE1 GLN B 145 13.479 11.074 18.164 1.00 3.35 O ATOM 1828 NE2 GLN B 145 14.347 10.240 16.267 1.00 3.05 N ATOM 0 H GLN B 145 8.806 9.198 18.203 1.00 1.58 H new ATOM 0 HA GLN B 145 10.738 7.690 16.593 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.021 10.062 17.674 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.391 9.140 19.118 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.329 8.226 18.222 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.757 8.342 16.569 1.00 2.43 H new ATOM 0 HE21 GLN B 145 14.394 9.458 15.614 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.894 11.083 16.093 1.00 3.05 H new ATOM 1837 N GLU B 146 9.380 6.775 19.362 1.00 2.12 N ATOM 1838 CA GLU B 146 9.267 5.685 20.287 1.00 2.41 C ATOM 1839 C GLU B 146 8.568 4.520 19.605 1.00 2.40 C ATOM 1840 O GLU B 146 8.324 3.485 20.226 1.00 2.57 O ATOM 1841 CB GLU B 146 8.508 6.118 21.538 1.00 2.47 C ATOM 1842 CG GLU B 146 8.981 7.448 22.105 1.00 2.88 C ATOM 1843 CD GLU B 146 10.300 7.339 22.848 1.00 3.26 C ATOM 1844 OE1 GLU B 146 10.321 6.724 23.935 1.00 3.59 O ATOM 1845 OE2 GLU B 146 11.311 7.876 22.347 1.00 3.76 O ATOM 0 H GLU B 146 8.622 7.457 19.398 1.00 2.12 H new ATOM 0 HA GLU B 146 10.263 5.370 20.598 1.00 2.41 H new ATOM 0 HB2 GLU B 146 7.446 6.190 21.302 1.00 2.47 H new ATOM 0 HB3 GLU B 146 8.614 5.348 22.302 1.00 2.47 H new ATOM 0 HG2 GLU B 146 9.086 8.167 21.292 1.00 2.88 H new ATOM 0 HG3 GLU B 146 8.221 7.840 22.781 1.00 2.88 H new ATOM 1852 N GLU B 147 8.302 4.664 18.298 1.00 2.27 N ATOM 1853 CA GLU B 147 7.689 3.582 17.558 1.00 2.36 C ATOM 1854 C GLU B 147 8.766 2.597 17.120 1.00 2.40 C ATOM 1855 O GLU B 147 8.484 1.615 16.436 1.00 2.48 O ATOM 1856 CB GLU B 147 6.922 4.116 16.346 1.00 2.40 C ATOM 1857 CG GLU B 147 5.575 3.438 16.138 1.00 2.97 C ATOM 1858 CD GLU B 147 5.407 2.882 14.738 1.00 3.47 C ATOM 1859 OE1 GLU B 147 5.116 3.674 13.817 1.00 3.71 O ATOM 1860 OE2 GLU B 147 5.566 1.656 14.562 1.00 4.01 O ATOM 0 H GLU B 147 8.501 5.503 17.753 1.00 2.27 H new ATOM 0 HA GLU B 147 6.974 3.071 18.203 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.766 5.188 16.467 1.00 2.40 H new ATOM 0 HB3 GLU B 147 7.530 3.981 15.452 1.00 2.40 H new ATOM 0 HG2 GLU B 147 5.465 2.629 16.861 1.00 2.97 H new ATOM 0 HG3 GLU B 147 4.778 4.154 16.337 1.00 2.97 H new ATOM 1987 N SER B 156 -2.480 -0.939 7.221 1.00 2.21 N ATOM 1988 CA SER B 156 -3.048 0.318 6.717 1.00 2.03 C ATOM 1989 C SER B 156 -2.116 1.019 5.708 1.00 1.77 C ATOM 1990 O SER B 156 -1.073 1.556 6.050 1.00 2.17 O ATOM 1991 CB SER B 156 -3.473 1.231 7.868 1.00 2.58 C ATOM 1992 OG SER B 156 -4.404 0.564 8.711 1.00 3.11 O ATOM 0 HA SER B 156 -3.951 0.070 6.158 1.00 2.03 H new ATOM 0 HB2 SER B 156 -2.598 1.530 8.446 1.00 2.58 H new ATOM 0 HB3 SER B 156 -3.920 2.143 7.472 1.00 2.58 H new ATOM 0 HG SER B 156 -4.294 -0.405 8.617 1.00 3.11 H new ATOM 1998 N GLY B 157 -2.657 1.126 4.501 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.014 1.834 3.432 1.00 1.82 C ATOM 2000 C GLY B 157 -1.557 0.914 2.338 1.00 1.65 C ATOM 2001 O GLY B 157 -0.357 0.635 2.195 1.00 2.07 O ATOM 0 H GLY B 157 -3.557 0.718 4.248 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -2.703 2.571 3.020 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -1.158 2.382 3.825 1.00 1.82 H new ATOM 2005 N GLN B 158 -2.501 0.483 1.506 1.00 1.33 N ATOM 2006 CA GLN B 158 -2.112 -0.344 0.402 1.00 1.42 C ATOM 2007 C GLN B 158 -2.497 0.357 -0.876 1.00 1.04 C ATOM 2008 O GLN B 158 -3.250 -0.135 -1.712 1.00 0.95 O ATOM 2009 CB GLN B 158 -2.885 -1.665 0.528 1.00 1.93 C ATOM 2010 CG GLN B 158 -2.385 -2.792 -0.356 1.00 2.76 C ATOM 2011 CD GLN B 158 -3.334 -3.975 -0.333 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -4.215 -4.094 -1.184 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -3.173 -4.853 0.654 1.00 4.34 N ATOM 0 H GLN B 158 -3.497 0.689 1.580 1.00 1.33 H new ATOM 0 HA GLN B 158 -1.039 -0.533 0.397 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -2.844 -1.994 1.566 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -3.933 -1.478 0.294 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -2.274 -2.432 -1.379 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -1.398 -3.109 -0.021 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -2.430 -4.719 1.340 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -3.792 -5.660 0.724 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.899 1.508 -1.002 1.00 1.15 N ATOM 2023 CA LYS B 159 -1.949 2.356 -2.188 1.00 1.13 C ATOM 2024 C LYS B 159 -0.566 2.518 -2.831 1.00 0.95 C ATOM 2025 O LYS B 159 -0.101 3.661 -2.897 1.00 0.91 O ATOM 2026 CB LYS B 159 -2.633 3.646 -1.861 1.00 1.54 C ATOM 2027 CG LYS B 159 -4.126 3.463 -1.651 1.00 1.91 C ATOM 2028 CD LYS B 159 -4.867 4.782 -1.726 1.00 2.18 C ATOM 2029 CE LYS B 159 -5.134 5.346 -0.342 1.00 2.81 C ATOM 2030 NZ LYS B 159 -6.551 5.156 0.076 1.00 3.54 N ATOM 0 H LYS B 159 -1.334 1.910 -0.254 1.00 1.15 H new ATOM 0 HA LYS B 159 -2.550 1.871 -2.957 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -2.190 4.073 -0.961 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -2.465 4.360 -2.668 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -4.519 2.781 -2.405 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -4.303 3.001 -0.680 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -4.283 5.497 -2.306 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -5.811 4.641 -2.252 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -4.476 4.862 0.379 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -4.893 6.409 -0.331 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -6.689 5.555 1.026 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -7.179 5.639 -0.597 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -6.775 4.141 0.091 1.00 3.54 H new ATOM 2044 N PRO B 160 0.176 1.468 -3.168 1.00 1.05 N ATOM 2045 CA PRO B 160 1.561 1.638 -3.640 1.00 1.14 C ATOM 2046 C PRO B 160 1.781 2.346 -4.976 1.00 1.10 C ATOM 2047 O PRO B 160 1.939 1.714 -6.018 1.00 1.23 O ATOM 2048 CB PRO B 160 2.103 0.216 -3.686 1.00 1.46 C ATOM 2049 CG PRO B 160 0.891 -0.645 -3.797 1.00 1.51 C ATOM 2050 CD PRO B 160 -0.178 0.055 -3.004 1.00 1.27 C ATOM 0 HA PRO B 160 2.073 2.320 -2.961 1.00 1.14 H new ATOM 0 HB2 PRO B 160 2.770 0.073 -4.536 1.00 1.46 H new ATOM 0 HB3 PRO B 160 2.676 -0.019 -2.789 1.00 1.46 H new ATOM 0 HG2 PRO B 160 0.591 -0.766 -4.838 1.00 1.51 H new ATOM 0 HG3 PRO B 160 1.082 -1.643 -3.402 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -1.175 -0.160 -3.389 1.00 1.27 H new ATOM 0 HD3 PRO B 160 -0.169 -0.246 -1.957 1.00 1.27 H new ATOM 2058 N CYS B 161 1.882 3.670 -4.903 1.00 1.09 N ATOM 2059 CA CYS B 161 2.195 4.501 -6.067 1.00 1.15 C ATOM 2060 C CYS B 161 3.628 4.988 -5.897 1.00 1.37 C ATOM 2061 O CYS B 161 4.270 4.615 -4.917 1.00 1.58 O ATOM 2062 CB CYS B 161 1.240 5.701 -6.143 1.00 1.32 C ATOM 2063 SG CYS B 161 1.835 7.218 -5.310 1.00 1.58 S ATOM 0 H CYS B 161 1.750 4.198 -4.040 1.00 1.09 H new ATOM 0 HA CYS B 161 2.082 3.928 -6.987 1.00 1.15 H new ATOM 0 HB2 CYS B 161 1.052 5.931 -7.192 1.00 1.32 H new ATOM 0 HB3 CYS B 161 0.285 5.414 -5.703 1.00 1.32 H new ATOM 2068 N GLY B 162 4.186 5.752 -6.834 1.00 1.57 N ATOM 2069 CA GLY B 162 5.556 6.177 -6.651 1.00 1.88 C ATOM 2070 C GLY B 162 6.514 5.033 -6.843 1.00 2.05 C ATOM 2071 O GLY B 162 6.130 3.981 -7.358 1.00 2.37 O ATOM 0 H GLY B 162 3.729 6.073 -7.688 1.00 1.57 H new ATOM 0 HA2 GLY B 162 5.790 6.972 -7.359 1.00 1.88 H new ATOM 0 HA3 GLY B 162 5.679 6.593 -5.651 1.00 1.88 H new ATOM 2075 N SER B 163 7.764 5.226 -6.454 1.00 2.40 N ATOM 2076 CA SER B 163 8.755 4.183 -6.614 1.00 2.93 C ATOM 2077 C SER B 163 8.594 3.102 -5.553 1.00 2.71 C ATOM 2078 O SER B 163 9.590 2.559 -5.060 1.00 3.29 O ATOM 2079 CB SER B 163 10.171 4.762 -6.560 1.00 3.81 C ATOM 2080 OG SER B 163 10.391 5.673 -7.624 1.00 4.07 O ATOM 0 H SER B 163 8.111 6.087 -6.030 1.00 2.40 H new ATOM 0 HA SER B 163 8.598 3.731 -7.593 1.00 2.93 H new ATOM 0 HB2 SER B 163 10.324 5.268 -5.607 1.00 3.81 H new ATOM 0 HB3 SER B 163 10.900 3.953 -6.613 1.00 3.81 H new ATOM 0 HG SER B 163 11.302 6.030 -7.566 1.00 4.07 H new ATOM 2086 N GLY B 164 7.340 2.734 -5.247 1.00 2.12 N ATOM 2087 CA GLY B 164 7.134 1.641 -4.307 1.00 2.11 C ATOM 2088 C GLY B 164 6.583 2.020 -2.956 1.00 1.92 C ATOM 2089 O GLY B 164 6.647 1.215 -2.029 1.00 2.20 O ATOM 0 H GLY B 164 6.492 3.160 -5.622 1.00 2.12 H new ATOM 0 HA2 GLY B 164 6.456 0.920 -4.763 1.00 2.11 H new ATOM 0 HA3 GLY B 164 8.087 1.133 -4.158 1.00 2.11 H new ATOM 2093 N GLY B 165 5.985 3.217 -2.806 1.00 1.61 N ATOM 2094 CA GLY B 165 5.413 3.566 -1.522 1.00 1.60 C ATOM 2095 C GLY B 165 3.893 3.534 -1.543 1.00 1.42 C ATOM 2096 O GLY B 165 3.288 3.710 -2.597 1.00 1.62 O ATOM 0 H GLY B 165 5.894 3.924 -3.535 1.00 1.61 H new ATOM 0 HA2 GLY B 165 5.779 2.874 -0.763 1.00 1.60 H new ATOM 0 HA3 GLY B 165 5.750 4.562 -1.235 1.00 1.60 H new ATOM 2100 N ARG B 166 3.274 3.312 -0.379 1.00 1.16 N ATOM 2101 CA ARG B 166 1.813 3.274 -0.287 1.00 1.03 C ATOM 2102 C ARG B 166 1.233 4.576 0.288 1.00 0.95 C ATOM 2103 O ARG B 166 1.874 5.255 1.088 1.00 1.04 O ATOM 2104 CB ARG B 166 1.330 2.072 0.526 1.00 1.08 C ATOM 2105 CG ARG B 166 2.181 1.772 1.751 1.00 1.23 C ATOM 2106 CD ARG B 166 2.663 0.330 1.760 1.00 1.39 C ATOM 2107 NE ARG B 166 3.321 -0.042 0.508 1.00 1.79 N ATOM 2108 CZ ARG B 166 4.625 -0.301 0.393 1.00 2.31 C ATOM 2109 NH1 ARG B 166 5.433 -0.184 1.440 1.00 2.54 N ATOM 2110 NH2 ARG B 166 5.123 -0.670 -0.779 1.00 3.05 N ATOM 0 H ARG B 166 3.758 3.157 0.505 1.00 1.16 H new ATOM 0 HA ARG B 166 1.444 3.169 -1.307 1.00 1.03 H new ATOM 0 HB2 ARG B 166 0.303 2.251 0.845 1.00 1.08 H new ATOM 0 HB3 ARG B 166 1.316 1.193 -0.118 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.040 2.443 1.771 1.00 1.23 H new ATOM 0 HG3 ARG B 166 1.602 1.968 2.653 1.00 1.23 H new ATOM 0 HD2 ARG B 166 3.356 0.186 2.589 1.00 1.39 H new ATOM 0 HD3 ARG B 166 1.816 -0.333 1.934 1.00 1.39 H new ATOM 0 HE ARG B 166 2.746 -0.108 -0.332 1.00 1.79 H new ATOM 0 HH11 ARG B 166 5.059 0.106 2.343 1.00 2.54 H new ATOM 0 HH12 ARG B 166 6.428 -0.384 1.341 1.00 2.54 H new ATOM 0 HH21 ARG B 166 4.510 -0.755 -1.590 1.00 3.05 H new ATOM 0 HH22 ARG B 166 6.119 -0.869 -0.870 1.00 3.05 H new ATOM 2124 N CYS B 167 0.006 4.907 -0.135 1.00 0.87 N ATOM 2125 CA CYS B 167 -0.701 6.086 0.288 1.00 0.88 C ATOM 2126 C CYS B 167 -1.208 6.003 1.716 1.00 0.88 C ATOM 2127 O CYS B 167 -2.171 5.289 2.004 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.872 6.368 -0.656 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.771 7.955 -1.524 1.00 1.56 S ATOM 0 H CYS B 167 -0.521 4.337 -0.797 1.00 0.87 H new ATOM 0 HA CYS B 167 0.019 6.904 0.252 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.929 5.568 -1.394 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -2.799 6.340 -0.083 1.00 0.94 H new ATOM 2134 N ALA B 168 -0.628 6.813 2.575 1.00 0.90 N ATOM 2135 CA ALA B 168 -1.101 6.924 3.954 1.00 0.95 C ATOM 2136 C ALA B 168 -2.165 8.034 3.916 1.00 0.96 C ATOM 2137 O ALA B 168 -3.030 8.168 4.782 1.00 1.04 O ATOM 2138 CB ALA B 168 0.063 7.211 4.890 1.00 0.96 C ATOM 0 H ALA B 168 0.171 7.407 2.352 1.00 0.90 H new ATOM 0 HA ALA B 168 -1.539 6.004 4.342 1.00 0.95 H new ATOM 0 HB1 ALA B 168 -0.304 7.291 5.913 1.00 0.96 H new ATOM 0 HB2 ALA B 168 0.789 6.400 4.827 1.00 0.96 H new ATOM 0 HB3 ALA B 168 0.540 8.148 4.601 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.877 8.944 2.999 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.682 10.179 2.901 1.00 0.94 C ATOM 2146 C ALA B 169 -2.783 10.818 1.521 1.00 0.91 C ATOM 2147 O ALA B 169 -1.960 10.590 0.633 1.00 0.87 O ATOM 2148 CB ALA B 169 -2.216 11.193 3.911 1.00 0.98 C ATOM 0 H ALA B 169 -1.117 8.868 2.324 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.698 9.848 3.118 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.820 12.096 3.825 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -2.320 10.781 4.915 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -1.170 11.437 3.726 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.842 11.638 1.374 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.135 12.347 0.130 1.00 1.00 C ATOM 2156 C ALA B 170 -2.920 13.101 -0.368 1.00 1.04 C ATOM 2157 O ALA B 170 -2.363 13.945 0.332 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.315 13.301 0.301 1.00 1.15 C ATOM 0 H ALA B 170 -4.514 11.822 2.119 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.405 11.598 -0.615 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.508 13.813 -0.641 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.200 12.736 0.595 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.081 14.035 1.072 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.520 12.793 -1.579 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.383 13.437 -2.156 1.00 1.28 C ATOM 2166 C GLY B 171 -0.084 13.027 -1.495 1.00 1.22 C ATOM 2167 O GLY B 171 0.906 13.740 -1.587 1.00 1.29 O ATOM 0 H GLY B 171 -2.970 12.100 -2.177 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.336 13.200 -3.219 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.502 14.517 -2.075 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.108 11.928 -0.746 1.00 1.13 N ATOM 2172 CA ILE B 172 1.070 11.486 -0.019 1.00 1.09 C ATOM 2173 C ILE B 172 1.304 9.971 -0.175 1.00 1.02 C ATOM 2174 O ILE B 172 0.561 9.135 0.351 1.00 1.34 O ATOM 2175 CB ILE B 172 0.939 11.887 1.468 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.512 10.723 2.347 1.00 1.09 C ATOM 2177 CG2 ILE B 172 -0.064 13.019 1.619 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.546 10.354 3.353 1.00 0.91 C ATOM 0 H ILE B 172 -0.928 11.332 -0.629 1.00 1.13 H new ATOM 0 HA ILE B 172 1.945 11.980 -0.443 1.00 1.09 H new ATOM 0 HB ILE B 172 1.927 12.211 1.796 1.00 1.53 H new ATOM 0 HG12 ILE B 172 -0.414 10.982 2.861 1.00 1.09 H new ATOM 0 HG13 ILE B 172 0.297 9.858 1.719 1.00 1.09 H new ATOM 0 HG21 ILE B 172 -0.148 13.293 2.671 1.00 2.27 H new ATOM 0 HG22 ILE B 172 0.273 13.882 1.045 1.00 2.27 H new ATOM 0 HG23 ILE B 172 -1.037 12.695 1.250 1.00 2.27 H new ATOM 0 HD11 ILE B 172 1.188 9.517 3.953 1.00 0.91 H new ATOM 0 HD12 ILE B 172 2.465 10.067 2.842 1.00 0.91 H new ATOM 0 HD13 ILE B 172 1.743 11.207 4.002 1.00 0.91 H new ATOM 2190 N CYS B 173 2.352 9.623 -0.902 1.00 0.81 N ATOM 2191 CA CYS B 173 2.695 8.227 -1.107 1.00 1.04 C ATOM 2192 C CYS B 173 3.917 7.893 -0.268 1.00 1.06 C ATOM 2193 O CYS B 173 5.041 8.264 -0.613 1.00 1.19 O ATOM 2194 CB CYS B 173 2.960 7.929 -2.586 1.00 1.17 C ATOM 2195 SG CYS B 173 1.772 6.765 -3.332 1.00 1.94 S ATOM 0 H CYS B 173 2.978 10.286 -1.359 1.00 0.81 H new ATOM 0 HA CYS B 173 1.854 7.606 -0.798 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.936 8.865 -3.145 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.966 7.522 -2.690 1.00 1.17 H new ATOM 2200 N CYS B 174 3.692 7.230 0.860 1.00 0.97 N ATOM 2201 CA CYS B 174 4.781 6.889 1.755 1.00 0.99 C ATOM 2202 C CYS B 174 5.350 5.504 1.473 1.00 1.16 C ATOM 2203 O CYS B 174 4.644 4.497 1.505 1.00 1.35 O ATOM 2204 CB CYS B 174 4.342 7.022 3.213 1.00 1.12 C ATOM 2205 SG CYS B 174 5.710 7.358 4.373 1.00 1.26 S ATOM 0 H CYS B 174 2.771 6.922 1.172 1.00 0.97 H new ATOM 0 HA CYS B 174 5.586 7.600 1.571 1.00 0.99 H new ATOM 0 HB2 CYS B 174 3.609 7.825 3.289 1.00 1.12 H new ATOM 0 HB3 CYS B 174 3.840 6.103 3.516 1.00 1.12 H new ATOM 2210 N SER B 175 6.650 5.491 1.195 1.00 1.15 N ATOM 2211 CA SER B 175 7.396 4.274 0.905 1.00 1.38 C ATOM 2212 C SER B 175 7.967 3.699 2.196 1.00 1.29 C ATOM 2213 O SER B 175 7.740 4.252 3.271 1.00 1.12 O ATOM 2214 CB SER B 175 8.514 4.574 -0.099 1.00 1.48 C ATOM 2215 OG SER B 175 8.344 3.820 -1.288 1.00 2.00 O ATOM 0 H SER B 175 7.221 6.336 1.165 1.00 1.15 H new ATOM 0 HA SER B 175 6.727 3.535 0.464 1.00 1.38 H new ATOM 0 HB2 SER B 175 8.519 5.638 -0.336 1.00 1.48 H new ATOM 0 HB3 SER B 175 9.481 4.342 0.348 1.00 1.48 H new ATOM 0 HG SER B 175 9.068 4.029 -1.914 1.00 2.00 H new ATOM 2221 N PRO B 176 8.706 2.576 2.130 1.00 1.49 N ATOM 2222 CA PRO B 176 9.275 1.955 3.329 1.00 1.45 C ATOM 2223 C PRO B 176 10.525 2.677 3.840 1.00 1.20 C ATOM 2224 O PRO B 176 11.361 2.087 4.524 1.00 1.25 O ATOM 2225 CB PRO B 176 9.622 0.548 2.851 1.00 1.77 C ATOM 2226 CG PRO B 176 9.931 0.714 1.402 1.00 1.90 C ATOM 2227 CD PRO B 176 9.030 1.814 0.904 1.00 1.81 C ATOM 0 HA PRO B 176 8.583 1.983 4.171 1.00 1.45 H new ATOM 0 HB2 PRO B 176 10.475 0.143 3.395 1.00 1.77 H new ATOM 0 HB3 PRO B 176 8.790 -0.140 3.004 1.00 1.77 H new ATOM 0 HG2 PRO B 176 10.980 0.973 1.255 1.00 1.90 H new ATOM 0 HG3 PRO B 176 9.752 -0.213 0.857 1.00 1.90 H new ATOM 0 HD2 PRO B 176 9.530 2.438 0.164 1.00 1.81 H new ATOM 0 HD3 PRO B 176 8.133 1.415 0.431 1.00 1.81 H new ATOM 2235 N ASP B 177 10.624 3.963 3.518 1.00 1.01 N ATOM 2236 CA ASP B 177 11.734 4.803 3.951 1.00 0.92 C ATOM 2237 C ASP B 177 11.219 6.220 4.200 1.00 0.83 C ATOM 2238 O ASP B 177 11.522 6.842 5.225 1.00 0.90 O ATOM 2239 CB ASP B 177 12.851 4.805 2.901 1.00 1.18 C ATOM 2240 CG ASP B 177 13.786 3.618 3.047 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.471 3.526 4.089 1.00 2.72 O ATOM 2242 OD2 ASP B 177 13.834 2.781 2.122 1.00 2.51 O ATOM 0 H ASP B 177 9.934 4.453 2.948 1.00 1.01 H new ATOM 0 HA ASP B 177 12.152 4.405 4.876 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.409 4.795 1.905 1.00 1.18 H new ATOM 0 HB3 ASP B 177 13.424 5.728 2.986 1.00 1.18 H new ATOM 2247 N GLY B 178 10.416 6.709 3.257 1.00 0.89 N ATOM 2248 CA GLY B 178 9.832 8.025 3.380 1.00 0.87 C ATOM 2249 C GLY B 178 8.485 8.104 2.700 1.00 0.85 C ATOM 2250 O GLY B 178 7.784 7.106 2.584 1.00 0.99 O ATOM 0 H GLY B 178 10.161 6.209 2.405 1.00 0.89 H new ATOM 0 HA2 GLY B 178 9.723 8.278 4.435 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.504 8.764 2.943 1.00 0.87 H new ATOM 2254 N CYS B 179 8.132 9.292 2.241 1.00 0.78 N ATOM 2255 CA CYS B 179 6.863 9.506 1.560 1.00 0.79 C ATOM 2256 C CYS B 179 7.024 10.581 0.489 1.00 0.77 C ATOM 2257 O CYS B 179 8.011 11.308 0.482 1.00 0.88 O ATOM 2258 CB CYS B 179 5.737 9.865 2.547 1.00 0.92 C ATOM 2259 SG CYS B 179 6.027 9.373 4.288 1.00 1.34 S ATOM 0 H CYS B 179 8.709 10.129 2.327 1.00 0.78 H new ATOM 0 HA CYS B 179 6.573 8.572 1.079 1.00 0.79 H new ATOM 0 HB2 CYS B 179 5.579 10.943 2.514 1.00 0.92 H new ATOM 0 HB3 CYS B 179 4.814 9.397 2.204 1.00 0.92 H new ATOM 2264 N HIS B 180 6.085 10.658 -0.452 1.00 0.70 N ATOM 2265 CA HIS B 180 6.178 11.650 -1.525 1.00 0.75 C ATOM 2266 C HIS B 180 4.798 12.063 -2.009 1.00 0.69 C ATOM 2267 O HIS B 180 3.816 11.364 -1.786 1.00 0.66 O ATOM 2268 CB HIS B 180 6.997 11.120 -2.712 1.00 0.89 C ATOM 2269 CG HIS B 180 7.133 9.633 -2.747 1.00 0.94 C ATOM 2270 ND1 HIS B 180 6.289 8.819 -3.473 1.00 1.60 N ATOM 2271 CD2 HIS B 180 8.019 8.809 -2.139 1.00 1.70 C ATOM 2272 CE1 HIS B 180 6.649 7.559 -3.311 1.00 2.03 C ATOM 2273 NE2 HIS B 180 7.696 7.526 -2.507 1.00 2.10 N ATOM 0 H HIS B 180 5.263 10.056 -0.496 1.00 0.70 H new ATOM 0 HA HIS B 180 6.686 12.520 -1.110 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.530 11.453 -3.639 1.00 0.89 H new ATOM 0 HB3 HIS B 180 7.992 11.564 -2.679 1.00 0.89 H new ATOM 0 HD2 HIS B 180 8.828 9.105 -1.487 1.00 1.70 H new ATOM 0 HE1 HIS B 180 6.169 6.702 -3.760 1.00 2.03 H new ATOM 0 HE2 HIS B 180 8.186 6.683 -2.207 1.00 2.10 H new ATOM 2282 N GLU B 181 4.734 13.207 -2.672 1.00 0.75 N ATOM 2283 CA GLU B 181 3.476 13.706 -3.202 1.00 0.77 C ATOM 2284 C GLU B 181 2.952 12.741 -4.255 1.00 0.73 C ATOM 2285 O GLU B 181 3.735 12.117 -4.968 1.00 0.94 O ATOM 2286 CB GLU B 181 3.667 15.100 -3.809 1.00 0.93 C ATOM 2287 CG GLU B 181 4.879 15.215 -4.724 1.00 1.69 C ATOM 2288 CD GLU B 181 4.529 15.025 -6.188 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.720 15.816 -6.712 1.00 2.69 O ATOM 2290 OE2 GLU B 181 5.066 14.085 -6.809 1.00 3.06 O ATOM 0 H GLU B 181 5.538 13.807 -2.856 1.00 0.75 H new ATOM 0 HA GLU B 181 2.752 13.782 -2.391 1.00 0.77 H new ATOM 0 HB2 GLU B 181 2.772 15.366 -4.372 1.00 0.93 H new ATOM 0 HB3 GLU B 181 3.763 15.827 -3.002 1.00 0.93 H new ATOM 0 HG2 GLU B 181 5.339 16.194 -4.589 1.00 1.69 H new ATOM 0 HG3 GLU B 181 5.621 14.471 -4.433 1.00 1.69 H new ATOM 2297 N ASP B 182 1.635 12.596 -4.351 1.00 0.77 N ATOM 2298 CA ASP B 182 1.060 11.678 -5.328 1.00 0.79 C ATOM 2299 C ASP B 182 -0.276 12.196 -5.885 1.00 0.97 C ATOM 2300 O ASP B 182 -1.078 12.776 -5.159 1.00 1.22 O ATOM 2301 CB ASP B 182 0.898 10.289 -4.702 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.414 10.126 -3.961 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.648 10.881 -2.999 1.00 2.06 O ATOM 2304 OD2 ASP B 182 -1.208 9.242 -4.345 1.00 1.88 O ATOM 0 H ASP B 182 0.955 13.093 -3.775 1.00 0.77 H new ATOM 0 HA ASP B 182 1.745 11.608 -6.173 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.964 9.533 -5.485 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.723 10.108 -4.014 1.00 0.90 H new ATOM 2309 N PRO B 183 -0.521 12.014 -7.199 1.00 1.15 N ATOM 2310 CA PRO B 183 -1.748 12.481 -7.855 1.00 1.41 C ATOM 2311 C PRO B 183 -2.947 11.555 -7.648 1.00 1.28 C ATOM 2312 O PRO B 183 -4.093 11.974 -7.809 1.00 1.41 O ATOM 2313 CB PRO B 183 -1.370 12.520 -9.345 1.00 1.79 C ATOM 2314 CG PRO B 183 0.068 12.107 -9.428 1.00 1.91 C ATOM 2315 CD PRO B 183 0.373 11.365 -8.160 1.00 1.41 C ATOM 0 HA PRO B 183 -2.065 13.439 -7.443 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -2.002 11.846 -9.924 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -1.511 13.520 -9.755 1.00 1.79 H new ATOM 0 HG2 PRO B 183 0.240 11.474 -10.299 1.00 1.91 H new ATOM 0 HG3 PRO B 183 0.716 12.977 -9.534 1.00 1.91 H new ATOM 0 HD2 PRO B 183 0.166 10.299 -8.252 1.00 1.41 H new ATOM 0 HD3 PRO B 183 1.420 11.463 -7.873 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.687 10.299 -7.309 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.764 9.343 -7.091 1.00 1.18 C ATOM 2325 C ALA B 184 -4.573 9.718 -5.861 1.00 1.22 C ATOM 2326 O ALA B 184 -5.801 9.636 -5.857 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.209 7.935 -6.953 1.00 1.21 C ATOM 0 H ALA B 184 -1.748 9.921 -7.180 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.424 9.370 -7.958 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.029 7.235 -6.791 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.675 7.664 -7.864 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.525 7.895 -6.106 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.875 10.140 -4.823 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.515 10.547 -3.583 1.00 1.23 C ATOM 2335 C CYS B 185 -4.679 12.062 -3.543 1.00 1.50 C ATOM 2336 O CYS B 185 -4.733 12.678 -2.484 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.695 10.060 -2.398 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.665 8.262 -2.178 1.00 1.46 S ATOM 0 H CYS B 185 -2.857 10.211 -4.813 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.507 10.099 -3.529 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.671 10.414 -2.514 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -4.090 10.516 -1.490 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.769 12.644 -4.720 1.00 1.54 N ATOM 2344 CA ASP B 186 -4.937 14.079 -4.879 1.00 1.92 C ATOM 2345 C ASP B 186 -6.365 14.471 -4.599 1.00 1.82 C ATOM 2346 O ASP B 186 -6.624 15.436 -3.880 1.00 2.28 O ATOM 2347 CB ASP B 186 -4.547 14.514 -6.294 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.787 15.827 -6.322 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -4.382 16.867 -5.969 1.00 3.49 O ATOM 2350 OD2 ASP B 186 -2.599 15.818 -6.708 1.00 3.61 O ATOM 0 H ASP B 186 -4.728 12.134 -5.602 1.00 1.54 H new ATOM 0 HA ASP B 186 -4.283 14.581 -4.166 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -3.935 13.737 -6.752 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -5.448 14.609 -6.900 1.00 2.44 H new