USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=16 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 -100:sc= -2.24! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -16:sc= -3.03! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0428 X(o=-0.043,f=0.23) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0.382 (180deg=0.0125) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 171:sc= -0.105 USER MOD Single : A 80 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-4.3!) USER MOD Single : B 110 CYS SG : rot 37:sc= -2.04! USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot -21:sc= -3.07! USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= -0.0834 X(o=-0.083,f=0.19) USER MOD Single : B 159 LYS NZ :NH3+ 161:sc= 0.372 (180deg=-0.0437) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 171:sc= -0.102 USER MOD Single : B 180 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 10.989 32.890 -0.370 1.00 2.54 N ATOM 146 CA CYS A 10 10.781 31.556 0.151 1.00 1.93 C ATOM 147 C CYS A 10 9.311 31.307 0.498 1.00 1.72 C ATOM 148 O CYS A 10 8.945 31.314 1.671 1.00 1.97 O ATOM 149 CB CYS A 10 11.750 31.265 1.287 1.00 2.28 C ATOM 150 SG CYS A 10 13.201 30.238 0.799 1.00 2.68 S ATOM 0 HA CYS A 10 11.010 30.832 -0.631 1.00 1.93 H new ATOM 0 HB2 CYS A 10 12.109 32.210 1.695 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.212 30.757 2.087 1.00 2.28 H new ATOM 0 HG CYS A 10 12.999 29.004 1.156 1.00 2.68 H new ATOM 155 N LEU A 11 8.478 31.118 -0.516 1.00 1.49 N ATOM 156 CA LEU A 11 7.034 30.898 -0.330 1.00 1.39 C ATOM 157 C LEU A 11 6.701 30.186 0.990 1.00 1.20 C ATOM 158 O LEU A 11 6.995 29.007 1.144 1.00 1.16 O ATOM 159 CB LEU A 11 6.470 30.083 -1.494 1.00 1.55 C ATOM 160 CG LEU A 11 6.398 30.809 -2.844 1.00 1.91 C ATOM 161 CD1 LEU A 11 5.568 32.078 -2.734 1.00 2.48 C ATOM 162 CD2 LEU A 11 7.789 31.129 -3.371 1.00 2.29 C ATOM 0 H LEU A 11 8.774 31.111 -1.492 1.00 1.49 H new ATOM 0 HA LEU A 11 6.574 31.885 -0.297 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.081 29.188 -1.616 1.00 1.55 H new ATOM 0 HB3 LEU A 11 5.467 29.750 -1.228 1.00 1.55 H new ATOM 0 HG LEU A 11 5.912 30.139 -3.553 1.00 1.91 H new ATOM 0 HD11 LEU A 11 5.532 32.574 -3.704 1.00 2.48 H new ATOM 0 HD12 LEU A 11 4.556 31.825 -2.418 1.00 2.48 H new ATOM 0 HD13 LEU A 11 6.020 32.746 -2.001 1.00 2.48 H new ATOM 0 HD21 LEU A 11 7.706 31.643 -4.329 1.00 2.29 H new ATOM 0 HD22 LEU A 11 8.309 31.770 -2.659 1.00 2.29 H new ATOM 0 HD23 LEU A 11 8.350 30.204 -3.503 1.00 2.29 H new ATOM 174 N PRO A 12 6.060 30.889 1.954 1.00 1.19 N ATOM 175 CA PRO A 12 5.672 30.307 3.250 1.00 1.11 C ATOM 176 C PRO A 12 4.477 29.369 3.107 1.00 1.01 C ATOM 177 O PRO A 12 3.598 29.626 2.284 1.00 1.05 O ATOM 178 CB PRO A 12 5.318 31.516 4.100 1.00 1.29 C ATOM 179 CG PRO A 12 4.854 32.533 3.122 1.00 1.49 C ATOM 180 CD PRO A 12 5.652 32.306 1.862 1.00 1.39 C ATOM 0 HA PRO A 12 6.465 29.700 3.687 1.00 1.11 H new ATOM 0 HB2 PRO A 12 4.540 31.278 4.825 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.180 31.872 4.664 1.00 1.29 H new ATOM 0 HG2 PRO A 12 3.786 32.428 2.930 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.012 33.541 3.505 1.00 1.49 H new ATOM 0 HD2 PRO A 12 5.054 32.493 0.970 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.516 32.969 1.811 1.00 1.39 H new ATOM 188 N CYS A 13 4.333 28.383 3.998 1.00 0.93 N ATOM 189 CA CYS A 13 3.123 27.544 3.950 1.00 0.89 C ATOM 190 C CYS A 13 2.901 26.821 5.268 1.00 0.90 C ATOM 191 O CYS A 13 3.567 27.110 6.262 1.00 1.00 O ATOM 192 CB CYS A 13 3.200 26.539 2.796 1.00 0.82 C ATOM 193 SG CYS A 13 4.361 25.162 3.069 1.00 0.86 S ATOM 0 H CYS A 13 5.003 28.149 4.731 1.00 0.93 H new ATOM 0 HA CYS A 13 2.272 28.203 3.778 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.205 26.129 2.621 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.491 27.068 1.889 1.00 0.82 H new ATOM 198 N GLY A 14 2.009 25.848 5.279 1.00 0.91 N ATOM 199 CA GLY A 14 1.777 25.082 6.491 1.00 0.98 C ATOM 200 C GLY A 14 0.956 25.803 7.555 1.00 1.10 C ATOM 201 O GLY A 14 0.270 26.778 7.253 1.00 1.15 O ATOM 0 H GLY A 14 1.442 25.572 4.478 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.269 24.155 6.226 1.00 0.98 H new ATOM 0 HA3 GLY A 14 2.740 24.806 6.920 1.00 0.98 H new ATOM 205 N PRO A 15 1.031 25.354 8.833 1.00 1.19 N ATOM 206 CA PRO A 15 0.324 25.966 9.966 1.00 1.33 C ATOM 207 C PRO A 15 0.790 27.374 10.274 1.00 1.40 C ATOM 208 O PRO A 15 1.874 27.610 10.803 1.00 1.57 O ATOM 209 CB PRO A 15 0.671 25.063 11.129 1.00 1.46 C ATOM 210 CG PRO A 15 2.033 24.747 10.745 1.00 1.39 C ATOM 211 CD PRO A 15 1.873 24.266 9.336 1.00 1.21 C ATOM 0 HA PRO A 15 -0.742 26.054 9.756 1.00 1.33 H new ATOM 0 HB2 PRO A 15 0.608 25.568 12.093 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.031 24.182 11.188 1.00 1.46 H new ATOM 0 HG2 PRO A 15 2.683 25.620 10.804 1.00 1.39 H new ATOM 0 HG3 PRO A 15 2.468 23.981 11.388 1.00 1.39 H new ATOM 0 HD2 PRO A 15 2.822 24.185 8.806 1.00 1.21 H new ATOM 0 HD3 PRO A 15 1.388 23.292 9.273 1.00 1.21 H new ATOM 219 N GLY A 16 0.027 28.260 9.790 1.00 1.34 N ATOM 220 CA GLY A 16 0.301 29.672 9.884 1.00 1.47 C ATOM 221 C GLY A 16 1.207 30.138 8.796 1.00 1.43 C ATOM 222 O GLY A 16 1.386 31.343 8.613 1.00 1.68 O ATOM 0 H GLY A 16 -0.839 28.042 9.297 1.00 1.34 H new ATOM 0 HA2 GLY A 16 -0.636 30.227 9.838 1.00 1.47 H new ATOM 0 HA3 GLY A 16 0.754 29.890 10.851 1.00 1.47 H new ATOM 226 N GLY A 17 1.682 29.206 7.990 1.00 1.28 N ATOM 227 CA GLY A 17 2.462 29.617 6.862 1.00 1.25 C ATOM 228 C GLY A 17 3.817 30.143 7.240 1.00 1.24 C ATOM 229 O GLY A 17 4.280 31.170 6.756 1.00 1.36 O ATOM 0 H GLY A 17 1.544 28.201 8.096 1.00 1.28 H new ATOM 0 HA2 GLY A 17 2.583 28.771 6.185 1.00 1.25 H new ATOM 0 HA3 GLY A 17 1.920 30.388 6.315 1.00 1.25 H new ATOM 233 N LYS A 18 4.425 29.398 8.201 1.00 1.18 N ATOM 234 CA LYS A 18 5.746 29.697 8.781 1.00 1.23 C ATOM 235 C LYS A 18 6.883 29.051 7.954 1.00 1.13 C ATOM 236 O LYS A 18 7.977 29.586 7.865 1.00 1.22 O ATOM 237 CB LYS A 18 5.796 29.183 10.228 1.00 1.28 C ATOM 238 CG LYS A 18 4.443 29.169 10.945 1.00 1.34 C ATOM 239 CD LYS A 18 4.448 30.060 12.179 1.00 1.73 C ATOM 240 CE LYS A 18 3.871 29.348 13.395 1.00 1.91 C ATOM 241 NZ LYS A 18 2.534 29.885 13.776 1.00 2.50 N ATOM 0 H LYS A 18 3.997 28.560 8.596 1.00 1.18 H new ATOM 0 HA LYS A 18 5.892 30.777 8.766 1.00 1.23 H new ATOM 0 HB2 LYS A 18 6.203 28.172 10.227 1.00 1.28 H new ATOM 0 HB3 LYS A 18 6.488 29.804 10.797 1.00 1.28 H new ATOM 0 HG2 LYS A 18 3.665 29.503 10.259 1.00 1.34 H new ATOM 0 HG3 LYS A 18 4.196 28.148 11.235 1.00 1.34 H new ATOM 0 HD2 LYS A 18 5.469 30.377 12.394 1.00 1.73 H new ATOM 0 HD3 LYS A 18 3.870 30.962 11.978 1.00 1.73 H new ATOM 0 HE2 LYS A 18 3.787 28.282 13.184 1.00 1.91 H new ATOM 0 HE3 LYS A 18 4.557 29.453 14.236 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 2.178 29.372 14.608 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 2.618 30.897 14.002 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 1.872 29.761 12.984 1.00 2.50 H new ATOM 255 N GLY A 19 6.566 27.884 7.409 1.00 1.02 N ATOM 256 CA GLY A 19 7.405 27.013 6.577 1.00 0.95 C ATOM 257 C GLY A 19 7.499 27.533 5.170 1.00 0.91 C ATOM 258 O GLY A 19 7.025 28.633 4.915 1.00 1.00 O ATOM 0 H GLY A 19 5.638 27.483 7.546 1.00 1.02 H new ATOM 0 HA2 GLY A 19 8.403 26.944 7.010 1.00 0.95 H new ATOM 0 HA3 GLY A 19 6.991 26.005 6.568 1.00 0.95 H new ATOM 262 N ARG A 20 8.005 26.751 4.202 1.00 0.86 N ATOM 263 CA ARG A 20 8.013 27.147 2.810 1.00 0.86 C ATOM 264 C ARG A 20 7.430 25.933 2.036 1.00 0.80 C ATOM 265 O ARG A 20 7.179 24.889 2.650 1.00 0.78 O ATOM 266 CB ARG A 20 9.419 27.429 2.335 1.00 0.94 C ATOM 267 CG ARG A 20 9.889 28.839 2.613 1.00 1.13 C ATOM 268 CD ARG A 20 11.231 28.838 3.327 1.00 1.55 C ATOM 269 NE ARG A 20 11.158 29.483 4.632 1.00 1.82 N ATOM 270 CZ ARG A 20 11.359 28.847 5.779 1.00 2.25 C ATOM 271 NH1 ARG A 20 11.621 27.544 5.788 1.00 2.59 N ATOM 272 NH2 ARG A 20 11.296 29.512 6.923 1.00 2.92 N ATOM 0 H ARG A 20 8.415 25.833 4.375 1.00 0.86 H new ATOM 0 HA ARG A 20 7.436 28.058 2.654 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.102 26.728 2.815 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.474 27.243 1.262 1.00 0.94 H new ATOM 0 HG2 ARG A 20 9.973 29.389 1.676 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.150 29.359 3.223 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.575 27.811 3.449 1.00 1.55 H new ATOM 0 HD3 ARG A 20 11.970 29.350 2.711 1.00 1.55 H new ATOM 0 HE ARG A 20 10.940 30.479 4.665 1.00 1.82 H new ATOM 0 HH11 ARG A 20 11.669 27.027 4.910 1.00 2.59 H new ATOM 0 HH12 ARG A 20 11.775 27.061 6.673 1.00 2.59 H new ATOM 0 HH21 ARG A 20 11.093 30.512 6.921 1.00 2.92 H new ATOM 0 HH22 ARG A 20 11.450 29.024 7.806 1.00 2.92 H new ATOM 286 N CYS A 21 7.192 26.040 0.728 1.00 0.82 N ATOM 287 CA CYS A 21 6.612 24.904 -0.018 1.00 0.81 C ATOM 288 C CYS A 21 7.663 24.215 -0.892 1.00 0.84 C ATOM 289 O CYS A 21 8.523 24.869 -1.485 1.00 1.04 O ATOM 290 CB CYS A 21 5.460 25.374 -0.922 1.00 0.91 C ATOM 291 SG CYS A 21 3.780 25.087 -0.257 1.00 1.10 S ATOM 0 H CYS A 21 7.382 26.872 0.170 1.00 0.82 H new ATOM 0 HA CYS A 21 6.238 24.197 0.723 1.00 0.81 H new ATOM 0 HB2 CYS A 21 5.581 26.440 -1.112 1.00 0.91 H new ATOM 0 HB3 CYS A 21 5.544 24.867 -1.883 1.00 0.91 H new ATOM 296 N PHE A 22 7.580 22.880 -0.959 1.00 0.76 N ATOM 297 CA PHE A 22 8.518 22.080 -1.755 1.00 0.83 C ATOM 298 C PHE A 22 7.762 21.202 -2.753 1.00 0.94 C ATOM 299 O PHE A 22 8.090 21.162 -3.939 1.00 1.43 O ATOM 300 CB PHE A 22 9.378 21.206 -0.835 1.00 0.85 C ATOM 301 CG PHE A 22 10.454 21.969 -0.116 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.137 22.812 0.938 1.00 1.42 C ATOM 303 CD2 PHE A 22 11.783 21.855 -0.502 1.00 1.40 C ATOM 304 CE1 PHE A 22 11.122 23.527 1.595 1.00 1.50 C ATOM 305 CE2 PHE A 22 12.774 22.567 0.153 1.00 1.51 C ATOM 306 CZ PHE A 22 12.440 23.404 1.203 1.00 1.14 C ATOM 0 H PHE A 22 6.872 22.331 -0.471 1.00 0.76 H new ATOM 0 HA PHE A 22 9.166 22.758 -2.310 1.00 0.83 H new ATOM 0 HB2 PHE A 22 8.734 20.722 -0.100 1.00 0.85 H new ATOM 0 HB3 PHE A 22 9.838 20.414 -1.426 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.108 22.912 1.250 1.00 1.42 H new ATOM 0 HD2 PHE A 22 12.047 21.204 -1.322 1.00 1.40 H new ATOM 0 HE1 PHE A 22 10.860 24.181 2.414 1.00 1.50 H new ATOM 0 HE2 PHE A 22 13.805 22.469 -0.155 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.210 23.961 1.716 1.00 1.14 H new ATOM 316 N GLY A 23 6.740 20.508 -2.259 1.00 0.83 N ATOM 317 CA GLY A 23 5.929 19.646 -3.104 1.00 0.88 C ATOM 318 C GLY A 23 4.450 19.940 -2.934 1.00 0.88 C ATOM 319 O GLY A 23 4.090 20.842 -2.180 1.00 0.90 O ATOM 0 H GLY A 23 6.457 20.528 -1.279 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.212 19.786 -4.147 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.125 18.603 -2.857 1.00 0.88 H new ATOM 323 N PRO A 24 3.554 19.201 -3.611 1.00 1.01 N ATOM 324 CA PRO A 24 2.112 19.426 -3.488 1.00 1.07 C ATOM 325 C PRO A 24 1.624 19.124 -2.072 1.00 0.96 C ATOM 326 O PRO A 24 1.313 20.038 -1.310 1.00 1.03 O ATOM 327 CB PRO A 24 1.492 18.457 -4.506 1.00 1.32 C ATOM 328 CG PRO A 24 2.624 18.030 -5.383 1.00 1.50 C ATOM 329 CD PRO A 24 3.859 18.097 -4.531 1.00 1.24 C ATOM 0 HA PRO A 24 1.836 20.463 -3.678 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.036 17.602 -4.008 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.707 18.944 -5.085 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.465 17.020 -5.760 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.713 18.684 -6.251 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.035 17.162 -3.998 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.751 18.299 -5.125 1.00 1.24 H new ATOM 337 N SER A 25 1.601 17.843 -1.705 1.00 0.97 N ATOM 338 CA SER A 25 1.198 17.450 -0.358 1.00 0.92 C ATOM 339 C SER A 25 2.430 17.424 0.534 1.00 0.78 C ATOM 340 O SER A 25 2.624 16.501 1.320 1.00 0.81 O ATOM 341 CB SER A 25 0.519 16.066 -0.363 1.00 1.12 C ATOM 342 OG SER A 25 -0.871 16.187 -0.113 1.00 1.26 O ATOM 0 H SER A 25 1.854 17.067 -2.316 1.00 0.97 H new ATOM 0 HA SER A 25 0.476 18.173 0.022 1.00 0.92 H new ATOM 0 HB2 SER A 25 0.679 15.581 -1.326 1.00 1.12 H new ATOM 0 HB3 SER A 25 0.975 15.429 0.395 1.00 1.12 H new ATOM 0 HG SER A 25 -1.284 15.298 -0.122 1.00 1.26 H new ATOM 348 N ILE A 26 3.292 18.424 0.370 1.00 0.70 N ATOM 349 CA ILE A 26 4.522 18.484 1.118 1.00 0.61 C ATOM 350 C ILE A 26 4.916 19.925 1.471 1.00 0.58 C ATOM 351 O ILE A 26 5.282 20.719 0.597 1.00 0.73 O ATOM 352 CB ILE A 26 5.642 17.807 0.308 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.066 16.676 -0.559 1.00 0.79 C ATOM 354 CG2 ILE A 26 6.720 17.308 1.234 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.044 16.125 -1.577 1.00 0.83 C ATOM 0 H ILE A 26 3.152 19.200 -0.277 1.00 0.70 H new ATOM 0 HA ILE A 26 4.371 17.956 2.060 1.00 0.61 H new ATOM 0 HB ILE A 26 6.092 18.538 -0.364 1.00 0.60 H new ATOM 0 HG12 ILE A 26 4.737 15.865 0.091 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.183 17.045 -1.081 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.508 16.831 0.651 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.138 18.146 1.791 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.295 16.585 1.931 1.00 0.74 H new ATOM 0 HD11 ILE A 26 5.564 15.331 -2.150 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.355 16.923 -2.252 1.00 0.83 H new ATOM 0 HD13 ILE A 26 6.917 15.724 -1.063 1.00 0.83 H new ATOM 367 N CYS A 27 4.852 20.250 2.762 1.00 0.56 N ATOM 368 CA CYS A 27 5.210 21.594 3.242 1.00 0.56 C ATOM 369 C CYS A 27 6.350 21.490 4.248 1.00 0.55 C ATOM 370 O CYS A 27 6.277 20.653 5.149 1.00 0.59 O ATOM 371 CB CYS A 27 3.996 22.260 3.894 1.00 0.60 C ATOM 372 SG CYS A 27 3.195 23.520 2.853 1.00 0.92 S ATOM 0 H CYS A 27 4.557 19.606 3.496 1.00 0.56 H new ATOM 0 HA CYS A 27 5.531 22.202 2.396 1.00 0.56 H new ATOM 0 HB2 CYS A 27 3.264 21.492 4.145 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.307 22.722 4.831 1.00 0.60 H new ATOM 377 N CYS A 28 7.431 22.291 4.112 1.00 0.56 N ATOM 378 CA CYS A 28 8.531 22.116 5.080 1.00 0.58 C ATOM 379 C CYS A 28 8.916 23.405 5.853 1.00 0.61 C ATOM 380 O CYS A 28 8.531 24.505 5.458 1.00 0.76 O ATOM 381 CB CYS A 28 9.761 21.521 4.351 1.00 0.65 C ATOM 382 SG CYS A 28 9.379 20.452 2.907 1.00 1.28 S ATOM 0 H CYS A 28 7.562 23.010 3.400 1.00 0.56 H new ATOM 0 HA CYS A 28 8.170 21.428 5.845 1.00 0.58 H new ATOM 0 HB2 CYS A 28 10.396 22.341 4.017 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.342 20.941 5.068 1.00 0.65 H new ATOM 387 N GLY A 29 9.785 23.250 6.862 1.00 0.62 N ATOM 388 CA GLY A 29 10.316 24.357 7.566 1.00 0.65 C ATOM 389 C GLY A 29 11.698 24.052 7.990 1.00 0.67 C ATOM 390 O GLY A 29 12.149 22.922 7.846 1.00 0.66 O ATOM 0 H GLY A 29 10.120 22.344 7.189 1.00 0.62 H new ATOM 0 HA2 GLY A 29 10.306 25.244 6.932 1.00 0.65 H new ATOM 0 HA3 GLY A 29 9.698 24.579 8.436 1.00 0.65 H new ATOM 394 N ASP A 30 12.366 25.008 8.562 1.00 0.72 N ATOM 395 CA ASP A 30 13.679 24.751 9.045 1.00 0.76 C ATOM 396 C ASP A 30 13.484 23.757 10.141 1.00 0.77 C ATOM 397 O ASP A 30 14.103 22.688 10.172 1.00 0.80 O ATOM 398 CB ASP A 30 14.350 26.037 9.550 1.00 0.84 C ATOM 399 CG ASP A 30 15.837 25.867 9.793 1.00 1.41 C ATOM 400 OD1 ASP A 30 16.560 25.517 8.837 1.00 1.92 O ATOM 401 OD2 ASP A 30 16.280 26.087 10.941 1.00 2.27 O ATOM 0 H ASP A 30 12.025 25.959 8.702 1.00 0.72 H new ATOM 0 HA ASP A 30 14.342 24.373 8.267 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.194 26.833 8.822 1.00 0.84 H new ATOM 0 HB3 ASP A 30 13.869 26.353 10.476 1.00 0.84 H new ATOM 406 N GLU A 31 12.705 24.165 11.100 1.00 0.78 N ATOM 407 CA GLU A 31 12.490 23.369 12.287 1.00 0.83 C ATOM 408 C GLU A 31 11.071 22.958 12.331 1.00 0.87 C ATOM 409 O GLU A 31 10.528 22.633 13.387 1.00 1.00 O ATOM 410 CB GLU A 31 12.829 24.158 13.561 1.00 0.90 C ATOM 411 CG GLU A 31 12.672 25.661 13.411 1.00 0.99 C ATOM 412 CD GLU A 31 12.947 26.418 14.694 1.00 1.14 C ATOM 413 OE1 GLU A 31 13.958 26.114 15.361 1.00 1.64 O ATOM 414 OE2 GLU A 31 12.152 27.321 15.028 1.00 1.66 O ATOM 0 H GLU A 31 12.201 25.052 11.088 1.00 0.78 H new ATOM 0 HA GLU A 31 13.144 22.498 12.245 1.00 0.83 H new ATOM 0 HB2 GLU A 31 12.187 23.814 14.372 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.856 23.937 13.852 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.350 26.015 12.635 1.00 0.99 H new ATOM 0 HG3 GLU A 31 11.659 25.883 13.075 1.00 0.99 H new ATOM 421 N LEU A 32 10.453 22.973 11.155 1.00 0.82 N ATOM 422 CA LEU A 32 9.113 22.567 11.009 1.00 0.88 C ATOM 423 C LEU A 32 9.154 21.262 10.247 1.00 0.82 C ATOM 424 O LEU A 32 8.192 20.492 10.214 1.00 0.90 O ATOM 425 CB LEU A 32 8.373 23.658 10.268 1.00 0.93 C ATOM 426 CG LEU A 32 7.141 24.235 10.972 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.657 25.492 10.255 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.027 23.203 11.051 1.00 1.37 C ATOM 0 H LEU A 32 10.895 23.274 10.287 1.00 0.82 H new ATOM 0 HA LEU A 32 8.593 22.411 11.954 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.070 24.473 10.073 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.062 23.265 9.300 1.00 0.93 H new ATOM 0 HG LEU A 32 7.426 24.503 11.989 1.00 1.15 H new ATOM 0 HD11 LEU A 32 5.781 25.889 10.768 1.00 1.24 H new ATOM 0 HD12 LEU A 32 7.449 26.240 10.258 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.394 25.246 9.226 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.164 23.637 11.555 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.743 22.896 10.044 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.375 22.334 11.610 1.00 1.37 H new ATOM 440 N GLY A 33 10.309 21.049 9.612 1.00 0.73 N ATOM 441 CA GLY A 33 10.506 19.892 8.843 1.00 0.71 C ATOM 442 C GLY A 33 9.552 19.857 7.673 1.00 0.67 C ATOM 443 O GLY A 33 9.366 20.866 7.019 1.00 0.65 O ATOM 0 H GLY A 33 11.105 21.686 9.637 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.534 19.861 8.481 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.360 19.008 9.464 1.00 0.71 H new ATOM 447 N CYS A 34 8.930 18.728 7.384 1.00 0.70 N ATOM 448 CA CYS A 34 8.005 18.687 6.252 1.00 0.69 C ATOM 449 C CYS A 34 6.821 17.832 6.486 1.00 0.65 C ATOM 450 O CYS A 34 6.952 16.628 6.674 1.00 0.62 O ATOM 451 CB CYS A 34 8.681 18.227 4.978 1.00 0.73 C ATOM 452 SG CYS A 34 8.014 19.059 3.501 1.00 1.08 S ATOM 0 H CYS A 34 9.038 17.851 7.894 1.00 0.70 H new ATOM 0 HA CYS A 34 7.669 19.718 6.143 1.00 0.69 H new ATOM 0 HB2 CYS A 34 9.752 18.419 5.048 1.00 0.73 H new ATOM 0 HB3 CYS A 34 8.557 17.149 4.872 1.00 0.73 H new ATOM 457 N PHE A 35 5.643 18.435 6.376 1.00 0.68 N ATOM 458 CA PHE A 35 4.464 17.671 6.503 1.00 0.67 C ATOM 459 C PHE A 35 4.187 17.206 5.117 1.00 0.64 C ATOM 460 O PHE A 35 3.748 17.979 4.263 1.00 0.63 O ATOM 461 CB PHE A 35 3.291 18.487 7.066 1.00 0.69 C ATOM 462 CG PHE A 35 3.632 19.898 7.429 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.630 20.151 8.341 1.00 1.16 C ATOM 464 CD2 PHE A 35 2.963 20.958 6.859 1.00 0.98 C ATOM 465 CE1 PHE A 35 4.962 21.435 8.684 1.00 1.38 C ATOM 466 CE2 PHE A 35 3.288 22.250 7.199 1.00 1.21 C ATOM 467 CZ PHE A 35 4.290 22.493 8.114 1.00 1.26 C ATOM 0 H PHE A 35 5.506 19.431 6.203 1.00 0.68 H new ATOM 0 HA PHE A 35 4.587 16.850 7.210 1.00 0.67 H new ATOM 0 HB2 PHE A 35 2.487 18.499 6.330 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.905 17.981 7.951 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.160 19.325 8.793 1.00 1.16 H new ATOM 0 HD2 PHE A 35 2.178 20.773 6.140 1.00 0.98 H new ATOM 0 HE1 PHE A 35 5.750 21.617 9.400 1.00 1.38 H new ATOM 0 HE2 PHE A 35 2.757 23.076 6.748 1.00 1.21 H new ATOM 0 HZ PHE A 35 4.546 23.507 8.382 1.00 1.26 H new ATOM 477 N VAL A 36 4.452 15.950 4.883 1.00 0.67 N ATOM 478 CA VAL A 36 4.233 15.408 3.587 1.00 0.68 C ATOM 479 C VAL A 36 2.889 14.737 3.597 1.00 0.71 C ATOM 480 O VAL A 36 2.753 13.542 3.848 1.00 0.74 O ATOM 481 CB VAL A 36 5.371 14.448 3.143 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.480 14.429 1.628 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.706 14.878 3.763 1.00 0.76 C ATOM 0 H VAL A 36 4.817 15.293 5.573 1.00 0.67 H new ATOM 0 HA VAL A 36 4.243 16.208 2.847 1.00 0.68 H new ATOM 0 HB VAL A 36 5.133 13.443 3.492 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.281 13.753 1.329 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.538 14.087 1.200 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.700 15.434 1.266 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.493 14.195 3.442 1.00 0.76 H new ATOM 0 HG22 VAL A 36 6.949 15.890 3.438 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.627 14.855 4.850 1.00 0.76 H new ATOM 493 N GLY A 37 1.885 15.555 3.344 1.00 0.71 N ATOM 494 CA GLY A 37 0.516 15.046 3.313 1.00 0.76 C ATOM 495 C GLY A 37 -0.455 15.698 4.278 1.00 0.72 C ATOM 496 O GLY A 37 -1.546 15.174 4.490 1.00 0.81 O ATOM 0 H GLY A 37 1.981 16.554 3.160 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.128 15.165 2.301 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.542 13.976 3.521 1.00 0.76 H new ATOM 500 N THR A 38 -0.094 16.819 4.873 1.00 0.68 N ATOM 501 CA THR A 38 -1.004 17.473 5.803 1.00 0.68 C ATOM 502 C THR A 38 -1.806 18.543 5.086 1.00 0.72 C ATOM 503 O THR A 38 -1.437 18.974 3.995 1.00 0.77 O ATOM 504 CB THR A 38 -0.251 18.052 6.992 1.00 0.72 C ATOM 505 OG1 THR A 38 0.599 19.109 6.588 1.00 0.77 O ATOM 506 CG2 THR A 38 0.589 17.014 7.696 1.00 0.76 C ATOM 0 H THR A 38 0.801 17.290 4.736 1.00 0.68 H new ATOM 0 HA THR A 38 -1.697 16.726 6.190 1.00 0.68 H new ATOM 0 HB THR A 38 -1.011 18.421 7.681 1.00 0.72 H new ATOM 0 HG1 THR A 38 0.719 19.079 5.616 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.107 17.475 8.537 1.00 0.76 H new ATOM 0 HG22 THR A 38 -0.053 16.212 8.060 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.321 16.604 6.999 1.00 0.76 H new ATOM 514 N ALA A 39 -2.886 19.001 5.712 1.00 0.77 N ATOM 515 CA ALA A 39 -3.712 20.042 5.112 1.00 0.86 C ATOM 516 C ALA A 39 -2.889 21.302 4.915 1.00 0.82 C ATOM 517 O ALA A 39 -3.107 22.064 3.976 1.00 0.86 O ATOM 518 CB ALA A 39 -4.941 20.312 5.961 1.00 1.02 C ATOM 0 H ALA A 39 -3.206 18.672 6.623 1.00 0.77 H new ATOM 0 HA ALA A 39 -4.059 19.701 4.137 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -5.542 21.092 5.494 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.532 19.400 6.046 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -4.633 20.638 6.954 1.00 1.02 H new ATOM 524 N GLU A 40 -1.976 21.547 5.841 1.00 0.78 N ATOM 525 CA GLU A 40 -1.121 22.721 5.795 1.00 0.79 C ATOM 526 C GLU A 40 -0.275 22.752 4.515 1.00 0.74 C ATOM 527 O GLU A 40 0.288 23.790 4.157 1.00 0.79 O ATOM 528 CB GLU A 40 -0.207 22.705 7.015 1.00 0.82 C ATOM 529 CG GLU A 40 -0.939 22.894 8.331 1.00 1.25 C ATOM 530 CD GLU A 40 -0.812 21.691 9.243 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.196 21.603 9.974 1.00 2.32 O ATOM 532 OE2 GLU A 40 -1.718 20.833 9.222 1.00 1.91 O ATOM 0 H GLU A 40 -1.807 20.940 6.643 1.00 0.78 H new ATOM 0 HA GLU A 40 -1.749 23.612 5.797 1.00 0.79 H new ATOM 0 HB2 GLU A 40 0.331 21.757 7.042 1.00 0.82 H new ATOM 0 HB3 GLU A 40 0.539 23.492 6.909 1.00 0.82 H new ATOM 0 HG2 GLU A 40 -0.545 23.774 8.839 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -1.993 23.086 8.132 1.00 1.25 H new ATOM 539 N ALA A 41 -0.211 21.615 3.822 1.00 0.70 N ATOM 540 CA ALA A 41 0.536 21.501 2.587 1.00 0.71 C ATOM 541 C ALA A 41 -0.365 21.796 1.409 1.00 0.78 C ATOM 542 O ALA A 41 0.094 22.213 0.358 1.00 0.87 O ATOM 543 CB ALA A 41 1.143 20.112 2.456 1.00 0.77 C ATOM 0 H ALA A 41 -0.677 20.754 4.107 1.00 0.70 H new ATOM 0 HA ALA A 41 1.348 22.229 2.601 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.701 20.045 1.522 1.00 0.77 H new ATOM 0 HB2 ALA A 41 1.816 19.928 3.294 1.00 0.77 H new ATOM 0 HB3 ALA A 41 0.348 19.366 2.458 1.00 0.77 H new ATOM 549 N LEU A 42 -1.653 21.557 1.583 1.00 0.81 N ATOM 550 CA LEU A 42 -2.609 21.784 0.517 1.00 0.94 C ATOM 551 C LEU A 42 -2.437 23.148 -0.140 1.00 1.05 C ATOM 552 O LEU A 42 -2.578 23.264 -1.359 1.00 1.23 O ATOM 553 CB LEU A 42 -4.031 21.604 1.030 1.00 0.98 C ATOM 554 CG LEU A 42 -4.546 20.156 1.038 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.647 19.971 2.073 1.00 1.11 C ATOM 556 CD2 LEU A 42 -5.044 19.755 -0.342 1.00 1.16 C ATOM 0 H LEU A 42 -2.059 21.207 2.451 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.415 21.038 -0.254 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -4.087 21.998 2.045 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -4.700 22.207 0.417 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.713 19.507 1.309 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -5.992 18.937 2.056 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -5.259 20.208 3.064 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -6.480 20.635 1.841 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.404 18.727 -0.314 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.857 20.416 -0.642 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -4.228 19.834 -1.060 1.00 1.16 H new ATOM 568 N ARG A 43 -2.096 24.174 0.640 1.00 1.04 N ATOM 569 CA ARG A 43 -1.863 25.493 0.050 1.00 1.23 C ATOM 570 C ARG A 43 -0.805 25.327 -1.047 1.00 1.24 C ATOM 571 O ARG A 43 -0.687 26.144 -1.963 1.00 1.46 O ATOM 572 CB ARG A 43 -1.445 26.527 1.104 1.00 1.32 C ATOM 573 CG ARG A 43 -0.681 25.956 2.292 1.00 1.34 C ATOM 574 CD ARG A 43 -1.519 25.970 3.566 1.00 1.50 C ATOM 575 NE ARG A 43 -1.850 27.328 3.994 1.00 1.88 N ATOM 576 CZ ARG A 43 -2.407 27.620 5.170 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.698 26.656 6.035 1.00 2.39 N ATOM 578 NH2 ARG A 43 -2.675 28.882 5.480 1.00 2.92 N ATOM 0 H ARG A 43 -1.978 24.123 1.652 1.00 1.04 H new ATOM 0 HA ARG A 43 -2.787 25.879 -0.381 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.827 27.285 0.623 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -2.339 27.031 1.473 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -0.375 24.934 2.070 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.230 26.534 2.450 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -2.439 25.409 3.400 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -0.975 25.462 4.362 1.00 1.50 H new ATOM 0 HE ARG A 43 -1.643 28.097 3.356 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -2.496 25.684 5.802 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -3.124 26.888 6.932 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -2.455 29.627 4.819 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -3.101 29.107 6.379 1.00 2.92 H new ATOM 592 N CYS A 44 0.046 24.316 -0.846 1.00 1.08 N ATOM 593 CA CYS A 44 1.181 24.078 -1.772 1.00 1.15 C ATOM 594 C CYS A 44 0.689 23.933 -3.236 1.00 1.41 C ATOM 595 O CYS A 44 1.490 23.717 -4.146 1.00 1.57 O ATOM 596 CB CYS A 44 1.981 22.817 -1.397 1.00 1.04 C ATOM 597 SG CYS A 44 3.515 23.076 -0.422 1.00 1.28 S ATOM 0 H CYS A 44 -0.018 23.657 -0.070 1.00 1.08 H new ATOM 0 HA CYS A 44 1.832 24.948 -1.684 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.326 22.154 -0.832 1.00 1.04 H new ATOM 0 HB3 CYS A 44 2.246 22.296 -2.317 1.00 1.04 H new ATOM 602 N GLN A 45 -0.618 24.121 -3.454 1.00 1.55 N ATOM 603 CA GLN A 45 -1.214 24.059 -4.794 1.00 1.86 C ATOM 604 C GLN A 45 -0.830 25.290 -5.622 1.00 2.09 C ATOM 605 O GLN A 45 -0.681 25.217 -6.848 1.00 2.35 O ATOM 606 CB GLN A 45 -2.740 23.968 -4.691 1.00 1.97 C ATOM 607 CG GLN A 45 -3.422 23.602 -6.001 1.00 2.40 C ATOM 608 CD GLN A 45 -4.933 23.558 -5.877 1.00 2.73 C ATOM 609 OE1 GLN A 45 -5.544 22.492 -5.958 1.00 3.31 O ATOM 610 NE2 GLN A 45 -5.546 24.720 -5.683 1.00 3.02 N ATOM 0 H GLN A 45 -1.289 24.319 -2.712 1.00 1.55 H new ATOM 0 HA GLN A 45 -0.830 23.169 -5.292 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -3.000 23.226 -3.937 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -3.129 24.925 -4.344 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -3.144 24.327 -6.766 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -3.060 22.630 -6.336 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -5.001 25.580 -5.622 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -6.562 24.752 -5.595 1.00 3.02 H new ATOM 619 N GLU A 46 -0.655 26.423 -4.953 1.00 2.07 N ATOM 620 CA GLU A 46 -0.299 27.651 -5.650 1.00 2.35 C ATOM 621 C GLU A 46 1.207 27.751 -5.826 1.00 2.34 C ATOM 622 O GLU A 46 1.722 28.749 -6.336 1.00 2.50 O ATOM 623 CB GLU A 46 -0.819 28.867 -4.879 1.00 2.41 C ATOM 624 CG GLU A 46 -1.219 30.037 -5.767 1.00 2.80 C ATOM 625 CD GLU A 46 -2.667 29.965 -6.215 1.00 3.19 C ATOM 626 OE1 GLU A 46 -3.559 29.974 -5.341 1.00 3.69 O ATOM 627 OE2 GLU A 46 -2.908 29.903 -7.439 1.00 3.53 O ATOM 0 H GLU A 46 -0.752 26.517 -3.942 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.762 27.632 -6.636 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -1.680 28.565 -4.283 1.00 2.41 H new ATOM 0 HB3 GLU A 46 -0.049 29.199 -4.182 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.056 30.970 -5.227 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -0.572 30.059 -6.644 1.00 2.80 H new ATOM 634 N GLU A 47 1.905 26.683 -5.462 1.00 2.22 N ATOM 635 CA GLU A 47 3.338 26.635 -5.630 1.00 2.31 C ATOM 636 C GLU A 47 3.658 26.219 -7.060 1.00 2.34 C ATOM 637 O GLU A 47 4.823 26.100 -7.438 1.00 2.42 O ATOM 638 CB GLU A 47 3.961 25.653 -4.637 1.00 2.37 C ATOM 639 CG GLU A 47 5.467 25.802 -4.494 1.00 2.96 C ATOM 640 CD GLU A 47 5.868 27.126 -3.874 1.00 3.45 C ATOM 641 OE1 GLU A 47 5.192 27.564 -2.919 1.00 3.99 O ATOM 642 OE2 GLU A 47 6.857 27.726 -4.342 1.00 3.68 O ATOM 0 H GLU A 47 1.497 25.844 -5.050 1.00 2.22 H new ATOM 0 HA GLU A 47 3.758 27.622 -5.436 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.497 25.793 -3.661 1.00 2.37 H new ATOM 0 HB3 GLU A 47 3.734 24.635 -4.955 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.852 24.987 -3.881 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.932 25.710 -5.476 1.00 2.96 H new ATOM 769 N SER A 56 18.473 27.729 -2.903 1.00 2.28 N ATOM 770 CA SER A 56 18.746 26.347 -2.537 1.00 2.07 C ATOM 771 C SER A 56 19.504 26.322 -1.204 1.00 1.82 C ATOM 772 O SER A 56 18.888 26.428 -0.145 1.00 2.22 O ATOM 773 CB SER A 56 19.539 25.651 -3.655 1.00 2.60 C ATOM 774 OG SER A 56 19.602 24.251 -3.448 1.00 3.12 O ATOM 0 HA SER A 56 17.811 25.801 -2.412 1.00 2.07 H new ATOM 0 HB2 SER A 56 19.072 25.858 -4.618 1.00 2.60 H new ATOM 0 HB3 SER A 56 20.548 26.060 -3.696 1.00 2.60 H new ATOM 0 HG SER A 56 20.111 23.835 -4.175 1.00 3.12 H new ATOM 780 N GLY A 57 20.830 26.189 -1.251 1.00 1.58 N ATOM 781 CA GLY A 57 21.614 26.168 -0.028 1.00 1.86 C ATOM 782 C GLY A 57 22.257 24.825 0.228 1.00 1.68 C ATOM 783 O GLY A 57 23.173 24.424 -0.484 1.00 2.10 O ATOM 0 H GLY A 57 21.371 26.096 -2.110 1.00 1.58 H new ATOM 0 HA2 GLY A 57 22.389 26.933 -0.085 1.00 1.86 H new ATOM 0 HA3 GLY A 57 20.973 26.426 0.815 1.00 1.86 H new ATOM 787 N GLN A 58 21.736 24.101 1.202 1.00 1.37 N ATOM 788 CA GLN A 58 22.204 22.778 1.514 1.00 1.46 C ATOM 789 C GLN A 58 20.980 21.960 1.405 1.00 1.08 C ATOM 790 O GLN A 58 20.264 21.772 2.383 1.00 1.00 O ATOM 791 CB GLN A 58 22.824 22.694 2.912 1.00 1.97 C ATOM 792 CG GLN A 58 21.976 23.334 3.998 1.00 2.80 C ATOM 793 CD GLN A 58 21.550 22.344 5.063 1.00 3.61 C ATOM 794 OE1 GLN A 58 20.365 22.048 5.214 1.00 3.96 O ATOM 795 NE2 GLN A 58 22.518 21.825 5.808 1.00 4.36 N ATOM 0 H GLN A 58 20.973 24.423 1.797 1.00 1.37 H new ATOM 0 HA GLN A 58 23.003 22.446 0.851 1.00 1.46 H new ATOM 0 HB2 GLN A 58 22.990 21.646 3.163 1.00 1.97 H new ATOM 0 HB3 GLN A 58 23.801 23.176 2.895 1.00 1.97 H new ATOM 0 HG2 GLN A 58 22.538 24.143 4.464 1.00 2.80 H new ATOM 0 HG3 GLN A 58 21.090 23.780 3.546 1.00 2.80 H new ATOM 0 HE21 GLN A 58 23.487 22.099 5.648 1.00 4.36 H new ATOM 0 HE22 GLN A 58 22.293 21.152 6.541 1.00 4.36 H new ATOM 804 N LYS A 59 20.700 21.507 0.224 1.00 1.17 N ATOM 805 CA LYS A 59 19.463 20.828 0.029 1.00 1.13 C ATOM 806 C LYS A 59 19.622 19.600 -0.818 1.00 0.95 C ATOM 807 O LYS A 59 19.260 18.520 -0.345 1.00 0.88 O ATOM 808 CB LYS A 59 18.455 21.776 -0.682 1.00 1.54 C ATOM 809 CG LYS A 59 18.258 23.140 -0.028 1.00 1.90 C ATOM 810 CD LYS A 59 16.939 23.205 0.728 1.00 2.17 C ATOM 811 CE LYS A 59 16.949 24.305 1.778 1.00 2.82 C ATOM 812 NZ LYS A 59 15.651 24.395 2.500 1.00 3.55 N ATOM 0 H LYS A 59 21.295 21.592 -0.600 1.00 1.17 H new ATOM 0 HA LYS A 59 19.100 20.531 1.013 1.00 1.13 H new ATOM 0 HB2 LYS A 59 18.790 21.930 -1.708 1.00 1.54 H new ATOM 0 HB3 LYS A 59 17.488 21.275 -0.735 1.00 1.54 H new ATOM 0 HG2 LYS A 59 19.082 23.340 0.657 1.00 1.90 H new ATOM 0 HG3 LYS A 59 18.281 23.918 -0.791 1.00 1.90 H new ATOM 0 HD2 LYS A 59 16.124 23.380 0.025 1.00 2.17 H new ATOM 0 HD3 LYS A 59 16.746 22.245 1.207 1.00 2.17 H new ATOM 0 HE2 LYS A 59 17.750 24.117 2.493 1.00 2.82 H new ATOM 0 HE3 LYS A 59 17.166 25.261 1.301 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 15.779 24.937 3.378 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 14.951 24.873 1.897 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 15.314 23.438 2.730 1.00 3.55 H new ATOM 826 N PRO A 60 20.134 19.681 -2.040 1.00 1.06 N ATOM 827 CA PRO A 60 20.277 18.495 -2.860 1.00 1.15 C ATOM 828 C PRO A 60 21.009 17.352 -2.163 1.00 1.10 C ATOM 829 O PRO A 60 22.237 17.279 -2.123 1.00 1.23 O ATOM 830 CB PRO A 60 21.028 18.972 -4.104 1.00 1.48 C ATOM 831 CG PRO A 60 21.535 20.334 -3.760 1.00 1.54 C ATOM 832 CD PRO A 60 20.587 20.887 -2.734 1.00 1.30 C ATOM 0 HA PRO A 60 19.302 18.069 -3.094 1.00 1.15 H new ATOM 0 HB2 PRO A 60 21.848 18.298 -4.351 1.00 1.48 H new ATOM 0 HB3 PRO A 60 20.370 19.005 -4.972 1.00 1.48 H new ATOM 0 HG2 PRO A 60 22.550 20.283 -3.365 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.568 20.972 -4.643 1.00 1.54 H new ATOM 0 HD2 PRO A 60 21.082 21.583 -2.057 1.00 1.30 H new ATOM 0 HD3 PRO A 60 19.759 21.425 -3.195 1.00 1.30 H new ATOM 840 N CYS A 61 20.195 16.456 -1.650 1.00 1.08 N ATOM 841 CA CYS A 61 20.621 15.261 -0.959 1.00 1.13 C ATOM 842 C CYS A 61 19.658 14.162 -1.396 1.00 1.36 C ATOM 843 O CYS A 61 18.768 14.432 -2.205 1.00 1.54 O ATOM 844 CB CYS A 61 20.704 15.483 0.564 1.00 1.30 C ATOM 845 SG CYS A 61 19.462 14.629 1.581 1.00 1.59 S ATOM 0 H CYS A 61 19.180 16.544 -1.705 1.00 1.08 H new ATOM 0 HA CYS A 61 21.638 14.969 -1.219 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.693 15.171 0.900 1.00 1.30 H new ATOM 0 HB3 CYS A 61 20.625 16.553 0.757 1.00 1.30 H new ATOM 850 N GLY A 62 19.731 12.979 -0.825 1.00 1.60 N ATOM 851 CA GLY A 62 18.743 11.990 -1.208 1.00 1.92 C ATOM 852 C GLY A 62 18.815 11.636 -2.682 1.00 2.10 C ATOM 853 O GLY A 62 19.820 11.893 -3.348 1.00 2.43 O ATOM 0 H GLY A 62 20.421 12.687 -0.133 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.888 11.088 -0.614 1.00 1.92 H new ATOM 0 HA3 GLY A 62 17.747 12.368 -0.977 1.00 1.92 H new ATOM 857 N SER A 63 17.771 10.984 -3.172 1.00 2.43 N ATOM 858 CA SER A 63 17.728 10.515 -4.574 1.00 2.98 C ATOM 859 C SER A 63 17.260 11.608 -5.513 1.00 2.74 C ATOM 860 O SER A 63 16.471 11.389 -6.435 1.00 3.32 O ATOM 861 CB SER A 63 16.816 9.295 -4.721 1.00 3.86 C ATOM 862 OG SER A 63 16.984 8.396 -3.642 1.00 4.11 O ATOM 0 H SER A 63 16.936 10.761 -2.630 1.00 2.43 H new ATOM 0 HA SER A 63 18.746 10.234 -4.844 1.00 2.98 H new ATOM 0 HB2 SER A 63 15.776 9.619 -4.769 1.00 3.86 H new ATOM 0 HB3 SER A 63 17.035 8.785 -5.659 1.00 3.86 H new ATOM 0 HG SER A 63 16.388 7.627 -3.761 1.00 4.11 H new ATOM 868 N GLY A 64 17.796 12.816 -5.254 1.00 2.15 N ATOM 869 CA GLY A 64 17.512 14.005 -6.045 1.00 2.11 C ATOM 870 C GLY A 64 16.785 15.126 -5.290 1.00 1.92 C ATOM 871 O GLY A 64 16.311 16.071 -5.916 1.00 2.21 O ATOM 0 H GLY A 64 18.441 12.984 -4.482 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.452 14.398 -6.433 1.00 2.11 H new ATOM 0 HA3 GLY A 64 16.908 13.716 -6.905 1.00 2.11 H new ATOM 875 N GLY A 65 16.590 14.969 -3.980 1.00 1.62 N ATOM 876 CA GLY A 65 15.805 15.960 -3.256 1.00 1.62 C ATOM 877 C GLY A 65 16.583 16.981 -2.450 1.00 1.43 C ATOM 878 O GLY A 65 17.700 16.734 -2.008 1.00 1.62 O ATOM 0 H GLY A 65 16.950 14.196 -3.420 1.00 1.62 H new ATOM 0 HA2 GLY A 65 15.183 16.494 -3.975 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.131 15.434 -2.580 1.00 1.62 H new ATOM 882 N ARG A 66 15.948 18.146 -2.275 1.00 1.17 N ATOM 883 CA ARG A 66 16.522 19.250 -1.518 1.00 1.03 C ATOM 884 C ARG A 66 16.219 19.064 -0.035 1.00 0.94 C ATOM 885 O ARG A 66 15.220 18.425 0.290 1.00 1.04 O ATOM 886 CB ARG A 66 16.021 20.617 -2.016 1.00 1.10 C ATOM 887 CG ARG A 66 14.808 20.566 -2.935 1.00 1.26 C ATOM 888 CD ARG A 66 15.195 20.158 -4.345 1.00 1.41 C ATOM 889 NE ARG A 66 16.091 21.131 -4.969 1.00 1.78 N ATOM 890 CZ ARG A 66 17.013 20.817 -5.877 1.00 2.30 C ATOM 891 NH1 ARG A 66 17.168 19.559 -6.273 1.00 2.55 N ATOM 892 NH2 ARG A 66 17.782 21.766 -6.394 1.00 3.02 N ATOM 0 H ARG A 66 15.023 18.344 -2.656 1.00 1.17 H new ATOM 0 HA ARG A 66 17.601 19.240 -1.670 1.00 1.03 H new ATOM 0 HB2 ARG A 66 15.776 21.234 -1.151 1.00 1.10 H new ATOM 0 HB3 ARG A 66 16.835 21.115 -2.542 1.00 1.10 H new ATOM 0 HG2 ARG A 66 14.079 19.860 -2.538 1.00 1.26 H new ATOM 0 HG3 ARG A 66 14.326 21.543 -2.957 1.00 1.26 H new ATOM 0 HD2 ARG A 66 15.680 19.182 -4.320 1.00 1.41 H new ATOM 0 HD3 ARG A 66 14.296 20.052 -4.952 1.00 1.41 H new ATOM 0 HE ARG A 66 16.004 22.109 -4.692 1.00 1.78 H new ATOM 0 HH11 ARG A 66 16.578 18.825 -5.881 1.00 2.55 H new ATOM 0 HH12 ARG A 66 17.877 19.327 -6.969 1.00 2.55 H new ATOM 0 HH21 ARG A 66 17.667 22.735 -6.096 1.00 3.02 H new ATOM 0 HH22 ARG A 66 18.489 21.527 -7.090 1.00 3.02 H new ATOM 906 N CYS A 67 17.058 19.581 0.888 1.00 0.87 N ATOM 907 CA CYS A 67 16.780 19.379 2.266 1.00 0.87 C ATOM 908 C CYS A 67 15.573 20.179 2.664 1.00 0.88 C ATOM 909 O CYS A 67 15.625 21.401 2.790 1.00 0.93 O ATOM 910 CB CYS A 67 17.984 19.736 3.134 1.00 0.93 C ATOM 911 SG CYS A 67 18.694 18.309 4.008 1.00 1.52 S ATOM 0 H CYS A 67 17.899 20.120 0.682 1.00 0.87 H new ATOM 0 HA CYS A 67 16.570 18.321 2.425 1.00 0.87 H new ATOM 0 HB2 CYS A 67 18.753 20.188 2.507 1.00 0.93 H new ATOM 0 HB3 CYS A 67 17.686 20.488 3.864 1.00 0.93 H new ATOM 916 N ALA A 68 14.496 19.484 2.888 1.00 0.91 N ATOM 917 CA ALA A 68 13.276 20.124 3.293 1.00 0.98 C ATOM 918 C ALA A 68 13.442 20.714 4.678 1.00 0.98 C ATOM 919 O ALA A 68 12.821 21.717 5.035 1.00 1.07 O ATOM 920 CB ALA A 68 12.157 19.098 3.294 1.00 0.98 C ATOM 0 H ALA A 68 14.437 18.470 2.797 1.00 0.91 H new ATOM 0 HA ALA A 68 13.032 20.928 2.598 1.00 0.98 H new ATOM 0 HB1 ALA A 68 11.226 19.575 3.600 1.00 0.98 H new ATOM 0 HB2 ALA A 68 12.041 18.686 2.292 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.400 18.296 3.991 1.00 0.98 H new ATOM 926 N ALA A 69 14.261 20.039 5.466 1.00 0.92 N ATOM 927 CA ALA A 69 14.519 20.401 6.850 1.00 0.96 C ATOM 928 C ALA A 69 15.666 19.583 7.420 1.00 0.92 C ATOM 929 O ALA A 69 16.037 18.548 6.860 1.00 0.87 O ATOM 930 CB ALA A 69 13.305 20.159 7.678 1.00 1.00 C ATOM 0 H ALA A 69 14.773 19.212 5.158 1.00 0.92 H new ATOM 0 HA ALA A 69 14.784 21.458 6.873 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.510 20.434 8.713 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.480 20.762 7.299 1.00 1.00 H new ATOM 0 HB3 ALA A 69 13.036 19.104 7.629 1.00 1.00 H new ATOM 936 N ALA A 70 16.206 20.022 8.545 1.00 0.98 N ATOM 937 CA ALA A 70 17.296 19.277 9.181 1.00 1.00 C ATOM 938 C ALA A 70 16.828 17.914 9.711 1.00 1.04 C ATOM 939 O ALA A 70 16.730 17.702 10.919 1.00 1.24 O ATOM 940 CB ALA A 70 17.974 20.053 10.289 1.00 1.15 C ATOM 0 H ALA A 70 15.920 20.871 9.033 1.00 0.98 H new ATOM 0 HA ALA A 70 18.031 19.113 8.393 1.00 1.00 H new ATOM 0 HB1 ALA A 70 18.772 19.449 10.721 1.00 1.15 H new ATOM 0 HB2 ALA A 70 18.394 20.973 9.884 1.00 1.15 H new ATOM 0 HB3 ALA A 70 17.245 20.297 11.062 1.00 1.15 H new ATOM 946 N GLY A 71 16.542 17.000 8.787 1.00 1.15 N ATOM 947 CA GLY A 71 16.096 15.663 9.136 1.00 1.27 C ATOM 948 C GLY A 71 15.482 14.889 7.981 1.00 1.21 C ATOM 949 O GLY A 71 15.733 13.693 7.819 1.00 1.28 O ATOM 0 H GLY A 71 16.614 17.168 7.783 1.00 1.15 H new ATOM 0 HA2 GLY A 71 16.944 15.100 9.526 1.00 1.27 H new ATOM 0 HA3 GLY A 71 15.364 15.735 9.940 1.00 1.27 H new ATOM 953 N ILE A 72 14.660 15.569 7.194 1.00 1.12 N ATOM 954 CA ILE A 72 13.956 14.962 6.067 1.00 1.08 C ATOM 955 C ILE A 72 14.318 15.656 4.757 1.00 1.03 C ATOM 956 O ILE A 72 14.139 16.865 4.605 1.00 1.36 O ATOM 957 CB ILE A 72 12.431 15.024 6.285 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.033 16.331 6.956 1.00 1.09 C ATOM 959 CG2 ILE A 72 11.968 13.846 7.128 1.00 2.27 C ATOM 960 CD1 ILE A 72 11.630 17.376 5.970 1.00 0.92 C ATOM 0 H ILE A 72 14.460 16.562 7.318 1.00 1.12 H new ATOM 0 HA ILE A 72 14.265 13.919 6.005 1.00 1.08 H new ATOM 0 HB ILE A 72 11.947 14.974 5.309 1.00 1.52 H new ATOM 0 HG12 ILE A 72 11.208 16.147 7.644 1.00 1.09 H new ATOM 0 HG13 ILE A 72 12.868 16.700 7.552 1.00 1.09 H new ATOM 0 HG21 ILE A 72 10.889 13.904 7.273 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.216 12.915 6.619 1.00 2.27 H new ATOM 0 HG23 ILE A 72 12.466 13.874 8.097 1.00 2.27 H new ATOM 0 HD11 ILE A 72 11.355 18.289 6.499 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.463 17.583 5.298 1.00 0.92 H new ATOM 0 HD13 ILE A 72 10.777 17.021 5.392 1.00 0.92 H new ATOM 972 N CYS A 73 14.846 14.879 3.824 1.00 0.82 N ATOM 973 CA CYS A 73 15.248 15.388 2.519 1.00 1.07 C ATOM 974 C CYS A 73 14.130 15.166 1.512 1.00 1.08 C ATOM 975 O CYS A 73 13.801 14.025 1.186 1.00 1.21 O ATOM 976 CB CYS A 73 16.511 14.680 2.051 1.00 1.19 C ATOM 977 SG CYS A 73 17.803 15.774 1.392 1.00 1.98 S ATOM 0 H CYS A 73 15.008 13.880 3.948 1.00 0.82 H new ATOM 0 HA CYS A 73 15.449 16.456 2.601 1.00 1.07 H new ATOM 0 HB2 CYS A 73 16.925 14.116 2.887 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.241 13.957 1.282 1.00 1.19 H new ATOM 982 N CYS A 74 13.512 16.248 1.057 1.00 0.98 N ATOM 983 CA CYS A 74 12.406 16.135 0.119 1.00 0.99 C ATOM 984 C CYS A 74 12.879 16.026 -1.325 1.00 1.15 C ATOM 985 O CYS A 74 13.500 16.939 -1.866 1.00 1.33 O ATOM 986 CB CYS A 74 11.441 17.307 0.285 1.00 1.13 C ATOM 987 SG CYS A 74 10.043 16.934 1.391 1.00 1.32 S ATOM 0 H CYS A 74 13.755 17.203 1.319 1.00 0.98 H new ATOM 0 HA CYS A 74 11.880 15.209 0.352 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.986 18.166 0.676 1.00 1.13 H new ATOM 0 HB3 CYS A 74 11.055 17.593 -0.694 1.00 1.13 H new ATOM 992 N SER A 75 12.559 14.888 -1.935 1.00 1.14 N ATOM 993 CA SER A 75 12.905 14.607 -3.324 1.00 1.36 C ATOM 994 C SER A 75 11.749 15.030 -4.223 1.00 1.28 C ATOM 995 O SER A 75 10.739 15.531 -3.729 1.00 1.10 O ATOM 996 CB SER A 75 13.226 13.117 -3.496 1.00 1.46 C ATOM 997 OG SER A 75 12.188 12.306 -2.974 1.00 1.99 O ATOM 0 H SER A 75 12.050 14.132 -1.477 1.00 1.14 H new ATOM 0 HA SER A 75 13.793 15.173 -3.607 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.370 12.893 -4.553 1.00 1.46 H new ATOM 0 HB3 SER A 75 14.163 12.883 -2.990 1.00 1.46 H new ATOM 0 HG SER A 75 12.346 11.372 -3.224 1.00 1.99 H new ATOM 1003 N PRO A 76 11.856 14.852 -5.551 1.00 1.46 N ATOM 1004 CA PRO A 76 10.785 15.241 -6.467 1.00 1.42 C ATOM 1005 C PRO A 76 9.610 14.268 -6.407 1.00 1.18 C ATOM 1006 O PRO A 76 8.893 14.077 -7.388 1.00 1.22 O ATOM 1007 CB PRO A 76 11.450 15.198 -7.855 1.00 1.74 C ATOM 1008 CG PRO A 76 12.906 14.950 -7.610 1.00 1.86 C ATOM 1009 CD PRO A 76 13.000 14.282 -6.269 1.00 1.77 C ATOM 0 HA PRO A 76 10.371 16.218 -6.220 1.00 1.42 H new ATOM 0 HB2 PRO A 76 11.018 14.408 -8.470 1.00 1.74 H new ATOM 0 HB3 PRO A 76 11.299 16.136 -8.389 1.00 1.74 H new ATOM 0 HG2 PRO A 76 13.329 14.317 -8.390 1.00 1.86 H new ATOM 0 HG3 PRO A 76 13.466 15.885 -7.619 1.00 1.86 H new ATOM 0 HD2 PRO A 76 12.929 13.197 -6.350 1.00 1.77 H new ATOM 0 HD3 PRO A 76 13.944 14.503 -5.770 1.00 1.77 H new ATOM 1017 N ASP A 77 9.420 13.662 -5.234 1.00 0.99 N ATOM 1018 CA ASP A 77 8.333 12.718 -5.008 1.00 0.91 C ATOM 1019 C ASP A 77 7.810 12.823 -3.571 1.00 0.82 C ATOM 1020 O ASP A 77 6.605 12.718 -3.334 1.00 0.90 O ATOM 1021 CB ASP A 77 8.799 11.289 -5.304 1.00 1.16 C ATOM 1022 CG ASP A 77 10.038 10.908 -4.520 1.00 1.92 C ATOM 1023 OD1 ASP A 77 9.904 10.580 -3.322 1.00 2.65 O ATOM 1024 OD2 ASP A 77 11.142 10.940 -5.102 1.00 2.50 O ATOM 0 H ASP A 77 10.015 13.813 -4.419 1.00 0.99 H new ATOM 0 HA ASP A 77 7.517 12.967 -5.686 1.00 0.91 H new ATOM 0 HB2 ASP A 77 7.995 10.592 -5.068 1.00 1.16 H new ATOM 0 HB3 ASP A 77 9.003 11.191 -6.370 1.00 1.16 H new ATOM 1029 N GLY A 78 8.724 13.034 -2.616 1.00 0.88 N ATOM 1030 CA GLY A 78 8.326 13.149 -1.223 1.00 0.87 C ATOM 1031 C GLY A 78 9.444 13.622 -0.315 1.00 0.86 C ATOM 1032 O GLY A 78 10.148 14.582 -0.624 1.00 0.99 O ATOM 0 H GLY A 78 9.726 13.126 -2.786 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.489 13.843 -1.148 1.00 0.87 H new ATOM 0 HA3 GLY A 78 7.969 12.180 -0.873 1.00 0.87 H new ATOM 1036 N CYS A 79 9.597 12.937 0.815 1.00 0.79 N ATOM 1037 CA CYS A 79 10.624 13.276 1.795 1.00 0.80 C ATOM 1038 C CYS A 79 11.152 12.018 2.487 1.00 0.78 C ATOM 1039 O CYS A 79 10.440 11.024 2.630 1.00 0.89 O ATOM 1040 CB CYS A 79 10.058 14.250 2.834 1.00 0.94 C ATOM 1041 SG CYS A 79 10.905 15.862 2.885 1.00 1.34 S ATOM 0 H CYS A 79 9.018 12.138 1.076 1.00 0.79 H new ATOM 0 HA CYS A 79 11.453 13.753 1.272 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.001 14.414 2.624 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.119 13.789 3.820 1.00 0.94 H new ATOM 1046 N HIS A 80 12.410 12.053 2.919 1.00 0.71 N ATOM 1047 CA HIS A 80 13.003 10.895 3.586 1.00 0.76 C ATOM 1048 C HIS A 80 14.134 11.306 4.522 1.00 0.70 C ATOM 1049 O HIS A 80 14.689 12.396 4.401 1.00 0.67 O ATOM 1050 CB HIS A 80 13.514 9.899 2.542 1.00 0.87 C ATOM 1051 CG HIS A 80 14.658 10.418 1.731 1.00 0.99 C ATOM 1052 ND1 HIS A 80 14.512 11.364 0.736 1.00 1.64 N ATOM 1053 CD2 HIS A 80 15.978 10.121 1.773 1.00 1.76 C ATOM 1054 CE1 HIS A 80 15.691 11.625 0.203 1.00 2.09 C ATOM 1055 NE2 HIS A 80 16.597 10.883 0.816 1.00 2.17 N ATOM 0 H HIS A 80 13.031 12.856 2.822 1.00 0.71 H new ATOM 0 HA HIS A 80 12.230 10.421 4.191 1.00 0.76 H new ATOM 0 HB2 HIS A 80 13.822 8.983 3.046 1.00 0.87 H new ATOM 0 HB3 HIS A 80 12.695 9.634 1.873 1.00 0.87 H new ATOM 0 HD1 HIS A 80 13.630 11.794 0.456 1.00 1.64 H new ATOM 0 HD2 HIS A 80 16.455 9.415 2.437 1.00 1.76 H new ATOM 0 HE1 HIS A 80 15.883 12.325 -0.597 1.00 2.09 H new ATOM 1064 N GLU A 81 14.471 10.425 5.462 1.00 0.75 N ATOM 1065 CA GLU A 81 15.540 10.702 6.415 1.00 0.77 C ATOM 1066 C GLU A 81 16.855 10.936 5.679 1.00 0.72 C ATOM 1067 O GLU A 81 17.143 10.270 4.686 1.00 0.92 O ATOM 1068 CB GLU A 81 15.684 9.538 7.397 1.00 0.94 C ATOM 1069 CG GLU A 81 15.089 9.818 8.766 1.00 1.70 C ATOM 1070 CD GLU A 81 14.753 8.549 9.521 1.00 2.35 C ATOM 1071 OE1 GLU A 81 13.840 7.819 9.079 1.00 2.71 O ATOM 1072 OE2 GLU A 81 15.403 8.286 10.555 1.00 3.05 O ATOM 0 H GLU A 81 14.021 9.518 5.583 1.00 0.75 H new ATOM 0 HA GLU A 81 15.287 11.603 6.973 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.202 8.656 6.975 1.00 0.94 H new ATOM 0 HB3 GLU A 81 16.741 9.300 7.512 1.00 0.94 H new ATOM 0 HG2 GLU A 81 15.793 10.410 9.351 1.00 1.70 H new ATOM 0 HG3 GLU A 81 14.187 10.419 8.651 1.00 1.70 H new ATOM 1079 N ASP A 82 17.639 11.897 6.157 1.00 0.76 N ATOM 1080 CA ASP A 82 18.915 12.222 5.519 1.00 0.77 C ATOM 1081 C ASP A 82 19.974 12.634 6.551 1.00 0.96 C ATOM 1082 O ASP A 82 19.664 13.320 7.523 1.00 1.21 O ATOM 1083 CB ASP A 82 18.702 13.335 4.491 1.00 0.86 C ATOM 1084 CG ASP A 82 18.316 14.652 5.133 1.00 1.34 C ATOM 1085 OD1 ASP A 82 17.164 14.769 5.605 1.00 1.82 O ATOM 1086 OD2 ASP A 82 19.165 15.565 5.164 1.00 2.02 O ATOM 0 H ASP A 82 17.418 12.462 6.977 1.00 0.76 H new ATOM 0 HA ASP A 82 19.286 11.329 5.015 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.616 13.471 3.913 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.923 13.034 3.790 1.00 0.86 H new ATOM 1091 N PRO A 83 21.243 12.201 6.362 1.00 1.15 N ATOM 1092 CA PRO A 83 22.346 12.508 7.286 1.00 1.42 C ATOM 1093 C PRO A 83 22.897 13.925 7.134 1.00 1.28 C ATOM 1094 O PRO A 83 23.609 14.417 8.011 1.00 1.40 O ATOM 1095 CB PRO A 83 23.434 11.487 6.912 1.00 1.81 C ATOM 1096 CG PRO A 83 22.827 10.588 5.881 1.00 1.93 C ATOM 1097 CD PRO A 83 21.708 11.363 5.252 1.00 1.42 C ATOM 0 HA PRO A 83 22.007 12.449 8.320 1.00 1.42 H new ATOM 0 HB2 PRO A 83 24.319 11.988 6.519 1.00 1.81 H new ATOM 0 HB3 PRO A 83 23.751 10.918 7.786 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.566 10.298 5.135 1.00 1.93 H new ATOM 0 HG3 PRO A 83 22.456 9.670 6.336 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.052 11.961 4.408 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.920 10.709 4.879 1.00 1.42 H new ATOM 1105 N ALA A 84 22.551 14.586 6.039 1.00 1.13 N ATOM 1106 CA ALA A 84 22.985 15.950 5.811 1.00 1.17 C ATOM 1107 C ALA A 84 22.228 16.823 6.773 1.00 1.20 C ATOM 1108 O ALA A 84 22.791 17.651 7.489 1.00 1.53 O ATOM 1109 CB ALA A 84 22.734 16.369 4.371 1.00 1.21 C ATOM 0 H ALA A 84 21.971 14.197 5.296 1.00 1.13 H new ATOM 0 HA ALA A 84 24.058 16.044 5.977 1.00 1.17 H new ATOM 0 HB1 ALA A 84 23.069 17.396 4.227 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.285 15.711 3.699 1.00 1.21 H new ATOM 0 HB3 ALA A 84 21.668 16.301 4.153 1.00 1.21 H new ATOM 1115 N CYS A 85 20.936 16.563 6.816 1.00 1.02 N ATOM 1116 CA CYS A 85 20.048 17.238 7.721 1.00 1.19 C ATOM 1117 C CYS A 85 19.672 16.251 8.813 1.00 1.46 C ATOM 1118 O CYS A 85 18.682 15.533 8.726 1.00 1.88 O ATOM 1119 CB CYS A 85 18.833 17.777 6.984 1.00 1.15 C ATOM 1120 SG CYS A 85 19.240 19.089 5.793 1.00 1.42 S ATOM 0 H CYS A 85 20.478 15.874 6.219 1.00 1.02 H new ATOM 0 HA CYS A 85 20.534 18.105 8.170 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.342 16.958 6.458 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.118 18.164 7.710 1.00 1.15 H new ATOM 1125 N ASP A 86 20.542 16.191 9.799 1.00 1.53 N ATOM 1126 CA ASP A 86 20.422 15.276 10.923 1.00 1.90 C ATOM 1127 C ASP A 86 21.335 15.632 12.107 1.00 1.82 C ATOM 1128 O ASP A 86 21.084 15.167 13.217 1.00 2.29 O ATOM 1129 CB ASP A 86 20.728 13.853 10.459 1.00 2.43 C ATOM 1130 CG ASP A 86 19.879 12.810 11.159 1.00 3.07 C ATOM 1131 OD1 ASP A 86 18.640 12.855 11.009 1.00 3.60 O ATOM 1132 OD2 ASP A 86 20.454 11.948 11.857 1.00 3.47 O ATOM 0 H ASP A 86 21.369 16.786 9.846 1.00 1.53 H new ATOM 0 HA ASP A 86 19.396 15.359 11.281 1.00 1.90 H new ATOM 0 HB2 ASP A 86 20.566 13.784 9.383 1.00 2.43 H new ATOM 0 HB3 ASP A 86 21.781 13.636 10.637 1.00 2.43 H new ATOM 1363 N CYS B 110 -2.989 1.270 17.153 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.466 2.216 16.192 1.00 1.89 C ATOM 1365 C CYS B 110 -1.794 3.404 16.885 1.00 1.69 C ATOM 1366 O CYS B 110 -2.366 4.491 16.944 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.541 2.611 15.188 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.412 1.756 13.560 1.00 2.61 S ATOM 0 HA CYS B 110 -1.675 1.736 15.616 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -4.519 2.400 15.619 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.491 3.687 15.025 1.00 2.23 H new ATOM 0 HG CYS B 110 -3.029 0.527 13.744 1.00 2.61 H new ATOM 1373 N LEU B 111 -0.599 3.183 17.421 1.00 1.46 N ATOM 1374 CA LEU B 111 0.157 4.219 18.142 1.00 1.37 C ATOM 1375 C LEU B 111 -0.115 5.630 17.616 1.00 1.20 C ATOM 1376 O LEU B 111 0.275 5.962 16.502 1.00 1.18 O ATOM 1377 CB LEU B 111 1.656 3.937 18.053 1.00 1.54 C ATOM 1378 CG LEU B 111 2.153 2.724 18.847 1.00 1.90 C ATOM 1379 CD1 LEU B 111 1.804 2.859 20.319 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.580 1.431 18.285 1.00 2.26 C ATOM 0 H LEU B 111 -0.121 2.283 17.372 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.179 4.180 19.178 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.918 3.794 17.005 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.194 4.820 18.399 1.00 1.54 H new ATOM 0 HG LEU B 111 3.238 2.688 18.752 1.00 1.90 H new ATOM 0 HD11 LEU B 111 2.167 1.986 20.861 1.00 2.47 H new ATOM 0 HD12 LEU B 111 2.271 3.757 20.723 1.00 2.47 H new ATOM 0 HD13 LEU B 111 0.722 2.931 20.431 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.949 0.586 18.867 1.00 2.26 H new ATOM 0 HD22 LEU B 111 0.492 1.461 18.339 1.00 2.26 H new ATOM 0 HD23 LEU B 111 1.888 1.318 17.246 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.785 6.489 18.408 1.00 1.19 N ATOM 1393 CA PRO B 112 -1.093 7.859 17.987 1.00 1.12 C ATOM 1394 C PRO B 112 0.060 8.842 18.166 1.00 1.03 C ATOM 1395 O PRO B 112 0.841 8.696 19.105 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.202 8.263 18.958 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.874 7.524 20.209 1.00 1.47 C ATOM 1398 CD PRO B 112 -1.312 6.200 19.762 1.00 1.37 C ATOM 0 HA PRO B 112 -1.338 7.885 16.925 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -2.215 9.340 19.123 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -3.185 7.987 18.578 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -1.150 8.074 20.811 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.762 7.385 20.826 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.527 5.850 20.432 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -2.079 5.426 19.738 1.00 1.37 H new ATOM 1406 N CYS B 113 0.219 9.819 17.260 1.00 0.94 N ATOM 1407 CA CYS B 113 1.330 10.768 17.434 1.00 0.90 C ATOM 1408 C CYS B 113 0.995 12.133 16.846 1.00 0.91 C ATOM 1409 O CYS B 113 -0.157 12.403 16.509 1.00 1.00 O ATOM 1410 CB CYS B 113 2.598 10.210 16.795 1.00 0.83 C ATOM 1411 SG CYS B 113 2.576 10.197 14.976 1.00 0.87 S ATOM 0 H CYS B 113 -0.371 9.970 16.442 1.00 0.94 H new ATOM 0 HA CYS B 113 1.497 10.901 18.503 1.00 0.90 H new ATOM 0 HB2 CYS B 113 3.451 10.800 17.132 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.753 9.192 17.152 1.00 0.83 H new ATOM 1416 N GLY B 114 1.995 12.981 16.659 1.00 0.92 N ATOM 1417 CA GLY B 114 1.755 14.285 16.046 1.00 0.99 C ATOM 1418 C GLY B 114 1.106 15.324 16.960 1.00 1.11 C ATOM 1419 O GLY B 114 1.094 15.150 18.177 1.00 1.16 O ATOM 0 H GLY B 114 2.965 12.798 16.916 1.00 0.92 H new ATOM 0 HA2 GLY B 114 2.706 14.681 15.689 1.00 0.99 H new ATOM 0 HA3 GLY B 114 1.119 14.146 15.172 1.00 0.99 H new ATOM 1423 N PRO B 115 0.493 16.402 16.387 1.00 1.19 N ATOM 1424 CA PRO B 115 -0.228 17.445 17.151 1.00 1.33 C ATOM 1425 C PRO B 115 -1.392 16.773 17.817 1.00 1.40 C ATOM 1426 O PRO B 115 -2.349 16.346 17.176 1.00 1.57 O ATOM 1427 CB PRO B 115 -0.682 18.411 16.072 1.00 1.46 C ATOM 1428 CG PRO B 115 -0.959 17.442 15.031 1.00 1.39 C ATOM 1429 CD PRO B 115 0.316 16.653 14.955 1.00 1.21 C ATOM 0 HA PRO B 115 0.351 17.953 17.922 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -1.561 18.987 16.361 1.00 1.46 H new ATOM 0 HB3 PRO B 115 0.090 19.127 15.791 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -1.810 16.810 15.284 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -1.192 17.925 14.082 1.00 1.39 H new ATOM 0 HD2 PRO B 115 0.214 15.737 14.373 1.00 1.21 H new ATOM 0 HD3 PRO B 115 1.139 17.218 14.518 1.00 1.21 H new ATOM 1437 N GLY B 116 -1.357 16.746 19.077 1.00 1.35 N ATOM 1438 CA GLY B 116 -2.365 16.167 19.884 1.00 1.48 C ATOM 1439 C GLY B 116 -2.253 14.687 19.903 1.00 1.44 C ATOM 1440 O GLY B 116 -2.861 14.048 20.769 1.00 1.70 O ATOM 0 H GLY B 116 -0.589 17.145 19.616 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -2.287 16.553 20.900 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -3.346 16.455 19.507 1.00 1.48 H new ATOM 1444 N GLY B 117 -1.492 14.083 18.987 1.00 1.29 N ATOM 1445 CA GLY B 117 -1.391 12.675 19.040 1.00 1.26 C ATOM 1446 C GLY B 117 -2.639 12.031 18.528 1.00 1.26 C ATOM 1447 O GLY B 117 -3.167 11.072 19.086 1.00 1.38 O ATOM 0 H GLY B 117 -0.970 14.545 18.243 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -0.537 12.345 18.448 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -1.208 12.358 20.067 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.103 12.631 17.405 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.304 12.228 16.704 1.00 1.25 C ATOM 1453 C LYS B 118 -4.046 11.228 15.599 1.00 1.15 C ATOM 1454 O LYS B 118 -4.930 10.407 15.321 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.013 13.439 16.085 1.00 1.30 C ATOM 1456 CG LYS B 118 -4.787 14.748 16.826 1.00 1.36 C ATOM 1457 CD LYS B 118 -6.099 15.366 17.284 1.00 1.78 C ATOM 1458 CE LYS B 118 -6.180 16.844 16.930 1.00 1.95 C ATOM 1459 NZ LYS B 118 -6.034 17.715 18.131 1.00 2.54 N ATOM 0 H LYS B 118 -2.630 13.422 16.968 1.00 1.19 H new ATOM 0 HA LYS B 118 -4.930 11.755 17.460 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -4.674 13.556 15.056 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.084 13.237 16.047 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -4.146 14.572 17.690 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -4.261 15.448 16.177 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -6.932 14.835 16.822 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -6.202 15.244 18.362 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -5.400 17.087 16.209 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -7.135 17.049 16.447 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -6.095 18.713 17.845 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -6.793 17.502 18.809 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -5.112 17.539 18.578 1.00 2.54 H new ATOM 1473 N GLY B 119 -2.855 11.191 14.952 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.654 10.206 13.934 1.00 0.97 C ATOM 1475 C GLY B 119 -1.818 9.100 14.501 1.00 0.93 C ATOM 1476 O GLY B 119 -1.906 8.863 15.686 1.00 1.02 O ATOM 0 H GLY B 119 -2.068 11.815 15.127 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.612 9.818 13.588 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.159 10.650 13.070 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.049 8.402 13.681 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.239 7.278 14.150 1.00 0.87 C ATOM 1482 C ARG B 120 1.221 7.448 13.724 1.00 0.80 C ATOM 1483 O ARG B 120 1.538 8.391 13.007 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.809 5.970 13.603 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.061 5.498 14.329 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.214 5.257 13.365 1.00 1.60 C ATOM 1487 NE ARG B 120 -4.391 6.050 13.708 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.884 7.007 12.929 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -4.299 7.299 11.773 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -5.963 7.676 13.307 1.00 2.89 N ATOM 0 H ARG B 120 -0.965 8.591 12.682 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.270 7.251 15.239 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.039 6.098 12.545 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.046 5.195 13.671 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -1.842 4.578 14.872 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.355 6.242 15.069 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -2.896 5.501 12.351 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.476 4.199 13.371 1.00 1.60 H new ATOM 0 HE ARG B 120 -4.860 5.859 14.593 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -3.467 6.788 11.479 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -4.682 8.035 11.179 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -6.414 7.456 14.195 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -6.343 8.411 12.710 1.00 2.89 H new ATOM 1504 N CYS B 121 2.119 6.562 14.168 1.00 0.82 N ATOM 1505 CA CYS B 121 3.540 6.694 13.802 1.00 0.81 C ATOM 1506 C CYS B 121 3.936 5.657 12.751 1.00 0.85 C ATOM 1507 O CYS B 121 3.502 4.505 12.794 1.00 1.05 O ATOM 1508 CB CYS B 121 4.448 6.514 15.033 1.00 0.91 C ATOM 1509 SG CYS B 121 5.067 8.065 15.780 1.00 1.07 S ATOM 0 H CYS B 121 1.900 5.765 14.766 1.00 0.82 H new ATOM 0 HA CYS B 121 3.671 7.696 13.394 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.897 5.959 15.792 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.303 5.901 14.747 1.00 0.91 H new ATOM 1514 N PHE B 122 4.770 6.093 11.798 1.00 0.76 N ATOM 1515 CA PHE B 122 5.240 5.223 10.716 1.00 0.84 C ATOM 1516 C PHE B 122 6.769 5.199 10.678 1.00 0.95 C ATOM 1517 O PHE B 122 7.386 4.135 10.617 1.00 1.44 O ATOM 1518 CB PHE B 122 4.690 5.711 9.371 1.00 0.86 C ATOM 1519 CG PHE B 122 3.239 5.381 9.161 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.250 6.075 9.845 1.00 1.42 C ATOM 1521 CD2 PHE B 122 2.861 4.370 8.289 1.00 1.41 C ATOM 1522 CE1 PHE B 122 0.914 5.766 9.664 1.00 1.50 C ATOM 1523 CE2 PHE B 122 1.526 4.058 8.103 1.00 1.53 C ATOM 1524 CZ PHE B 122 0.551 4.756 8.792 1.00 1.15 C ATOM 0 H PHE B 122 5.133 7.045 11.756 1.00 0.76 H new ATOM 0 HA PHE B 122 4.879 4.211 10.901 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.822 6.791 9.304 1.00 0.86 H new ATOM 0 HB3 PHE B 122 5.275 5.267 8.566 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.527 6.866 10.527 1.00 1.42 H new ATOM 0 HD2 PHE B 122 3.618 3.820 7.749 1.00 1.41 H new ATOM 0 HE1 PHE B 122 0.155 6.313 10.203 1.00 1.50 H new ATOM 0 HE2 PHE B 122 1.245 3.270 7.420 1.00 1.53 H new ATOM 0 HZ PHE B 122 -0.492 4.513 8.649 1.00 1.15 H new ATOM 1534 N GLY B 123 7.370 6.385 10.726 1.00 0.84 N ATOM 1535 CA GLY B 123 8.820 6.501 10.712 1.00 0.89 C ATOM 1536 C GLY B 123 9.314 7.378 11.848 1.00 0.89 C ATOM 1537 O GLY B 123 8.509 7.850 12.649 1.00 0.90 O ATOM 0 H GLY B 123 6.874 7.275 10.775 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.267 5.510 10.794 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.144 6.919 9.759 1.00 0.89 H new ATOM 1541 N PRO B 124 10.630 7.628 11.956 1.00 1.02 N ATOM 1542 CA PRO B 124 11.174 8.472 13.024 1.00 1.08 C ATOM 1543 C PRO B 124 10.686 9.912 12.894 1.00 0.96 C ATOM 1544 O PRO B 124 9.846 10.360 13.672 1.00 1.02 O ATOM 1545 CB PRO B 124 12.695 8.380 12.835 1.00 1.33 C ATOM 1546 CG PRO B 124 12.907 7.209 11.931 1.00 1.51 C ATOM 1547 CD PRO B 124 11.683 7.128 11.064 1.00 1.26 C ATOM 0 HA PRO B 124 10.857 8.146 14.015 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.093 9.294 12.395 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.203 8.238 13.789 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.805 7.340 11.327 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.040 6.292 12.505 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.780 7.740 10.167 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.486 6.108 10.734 1.00 1.26 H new ATOM 1555 N SER B 125 11.179 10.625 11.883 1.00 0.97 N ATOM 1556 CA SER B 125 10.743 11.997 11.640 1.00 0.92 C ATOM 1557 C SER B 125 9.542 11.969 10.708 1.00 0.76 C ATOM 1558 O SER B 125 9.451 12.752 9.766 1.00 0.78 O ATOM 1559 CB SER B 125 11.875 12.839 11.023 1.00 1.12 C ATOM 1560 OG SER B 125 12.367 13.783 11.958 1.00 1.25 O ATOM 0 H SER B 125 11.876 10.278 11.224 1.00 0.97 H new ATOM 0 HA SER B 125 10.470 12.458 12.589 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.685 12.186 10.699 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.508 13.356 10.136 1.00 1.12 H new ATOM 0 HG SER B 125 13.086 14.306 11.547 1.00 1.25 H new ATOM 1566 N ILE B 126 8.639 11.020 10.947 1.00 0.70 N ATOM 1567 CA ILE B 126 7.484 10.855 10.103 1.00 0.60 C ATOM 1568 C ILE B 126 6.241 10.422 10.892 1.00 0.57 C ATOM 1569 O ILE B 126 6.163 9.293 11.387 1.00 0.74 O ATOM 1570 CB ILE B 126 7.797 9.823 9.007 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.286 9.881 8.634 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.922 10.078 7.806 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.744 8.741 7.747 1.00 0.85 C ATOM 0 H ILE B 126 8.696 10.359 11.722 1.00 0.70 H new ATOM 0 HA ILE B 126 7.258 11.823 9.656 1.00 0.60 H new ATOM 0 HB ILE B 126 7.585 8.821 9.380 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.487 10.825 8.127 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.879 9.877 9.548 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.146 9.345 7.031 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.874 9.993 8.094 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.112 11.081 7.423 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.806 8.854 7.529 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.577 7.793 8.258 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.179 8.755 6.815 1.00 0.85 H new ATOM 1585 N CYS B 127 5.264 11.324 10.984 1.00 0.54 N ATOM 1586 CA CYS B 127 4.009 11.044 11.697 1.00 0.53 C ATOM 1587 C CYS B 127 2.835 11.198 10.737 1.00 0.53 C ATOM 1588 O CYS B 127 2.769 12.189 10.018 1.00 0.56 O ATOM 1589 CB CYS B 127 3.849 11.999 12.882 1.00 0.56 C ATOM 1590 SG CYS B 127 4.237 11.249 14.494 1.00 0.89 S ATOM 0 H CYS B 127 5.314 12.257 10.575 1.00 0.54 H new ATOM 0 HA CYS B 127 4.033 10.023 12.077 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.496 12.863 12.729 1.00 0.56 H new ATOM 0 HB3 CYS B 127 2.824 12.368 12.902 1.00 0.56 H new ATOM 1595 N CYS B 128 1.924 10.224 10.669 1.00 0.53 N ATOM 1596 CA CYS B 128 0.826 10.344 9.695 1.00 0.56 C ATOM 1597 C CYS B 128 -0.576 10.220 10.308 1.00 0.60 C ATOM 1598 O CYS B 128 -0.724 9.770 11.446 1.00 0.76 O ATOM 1599 CB CYS B 128 0.996 9.290 8.583 1.00 0.63 C ATOM 1600 SG CYS B 128 2.716 8.761 8.241 1.00 1.23 S ATOM 0 H CYS B 128 1.916 9.381 11.244 1.00 0.53 H new ATOM 0 HA CYS B 128 0.894 11.354 9.290 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.412 8.410 8.851 1.00 0.63 H new ATOM 0 HB3 CYS B 128 0.569 9.688 7.663 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.619 10.543 9.524 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.957 10.381 9.969 1.00 0.65 C ATOM 1607 C GLY B 129 -3.795 10.048 8.769 1.00 0.66 C ATOM 1608 O GLY B 129 -3.297 10.070 7.647 1.00 0.64 O ATOM 0 H GLY B 129 -1.529 10.917 8.579 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -3.020 9.587 10.713 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.316 11.293 10.446 1.00 0.65 H new ATOM 1612 N ASP B 130 -5.049 9.780 8.962 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.902 9.489 7.852 1.00 0.76 C ATOM 1614 C ASP B 130 -6.009 10.755 7.046 1.00 0.77 C ATOM 1615 O ASP B 130 -5.717 10.798 5.848 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.281 9.025 8.338 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.131 8.438 7.230 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.709 7.423 6.640 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -9.222 8.984 6.959 1.00 2.35 O ATOM 0 H ASP B 130 -5.504 9.757 9.875 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.495 8.680 7.245 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.152 8.280 9.123 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.807 9.870 8.783 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.434 11.781 7.744 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.593 13.055 7.107 1.00 0.85 C ATOM 1626 C GLU B 131 -5.683 14.038 7.731 1.00 0.89 C ATOM 1627 O GLU B 131 -5.948 15.242 7.738 1.00 1.03 O ATOM 1628 CB GLU B 131 -8.038 13.550 7.280 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.704 13.034 8.546 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.097 13.592 8.756 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.883 13.615 7.785 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -10.404 13.997 9.896 1.00 1.69 O ATOM 0 H GLU B 131 -6.671 11.756 8.736 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.362 12.949 6.047 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -8.042 14.640 7.294 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.626 13.240 6.416 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.758 11.946 8.503 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.084 13.289 9.405 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.555 13.542 8.188 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.563 14.348 8.778 1.00 0.89 C ATOM 1641 C LEU B 132 -2.338 14.129 7.928 1.00 0.83 C ATOM 1642 O LEU B 132 -1.376 14.892 7.968 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.342 13.835 10.207 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.459 14.865 11.331 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.433 14.178 12.695 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.344 15.893 11.244 1.00 1.38 C ATOM 0 H LEU B 132 -4.318 12.551 8.150 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.817 15.407 8.830 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -4.062 13.039 10.398 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.350 13.386 10.258 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.413 15.380 11.215 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.517 14.928 13.482 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.268 13.481 12.767 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.495 13.635 12.811 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.450 16.614 12.054 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.380 15.392 11.328 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.401 16.412 10.287 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.425 13.079 7.106 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.384 12.765 6.218 1.00 0.70 C ATOM 1660 C GLY B 133 -0.117 12.412 6.945 1.00 0.66 C ATOM 1661 O GLY B 133 -0.171 11.676 7.914 1.00 0.65 O ATOM 0 H GLY B 133 -3.226 12.449 7.063 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.685 11.930 5.586 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.200 13.613 5.559 1.00 0.70 H new ATOM 1665 N CYS B 134 1.025 12.961 6.566 1.00 0.69 N ATOM 1666 CA CYS B 134 2.239 12.636 7.295 1.00 0.68 C ATOM 1667 C CYS B 134 3.186 13.770 7.364 1.00 0.64 C ATOM 1668 O CYS B 134 3.673 14.233 6.332 1.00 0.62 O ATOM 1669 CB CYS B 134 2.971 11.453 6.697 1.00 0.72 C ATOM 1670 SG CYS B 134 3.821 10.449 7.961 1.00 1.08 S ATOM 0 H CYS B 134 1.137 13.610 5.787 1.00 0.69 H new ATOM 0 HA CYS B 134 1.898 12.389 8.300 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.262 10.826 6.156 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.700 11.810 5.970 1.00 0.72 H new ATOM 1675 N PHE B 135 3.535 14.178 8.579 1.00 0.67 N ATOM 1676 CA PHE B 135 4.493 15.203 8.709 1.00 0.66 C ATOM 1677 C PHE B 135 5.794 14.477 8.742 1.00 0.64 C ATOM 1678 O PHE B 135 6.140 13.836 9.737 1.00 0.64 O ATOM 1679 CB PHE B 135 4.285 16.029 9.988 1.00 0.70 C ATOM 1680 CG PHE B 135 3.084 15.638 10.792 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.833 15.665 10.218 1.00 1.15 C ATOM 1682 CD2 PHE B 135 3.206 15.241 12.106 1.00 0.96 C ATOM 1683 CE1 PHE B 135 0.720 15.306 10.933 1.00 1.36 C ATOM 1684 CE2 PHE B 135 2.094 14.880 12.828 1.00 1.19 C ATOM 1685 CZ PHE B 135 0.847 14.912 12.244 1.00 1.23 C ATOM 0 H PHE B 135 3.163 13.808 9.454 1.00 0.67 H new ATOM 0 HA PHE B 135 4.431 15.926 7.895 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.172 15.935 10.614 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.197 17.081 9.716 1.00 0.70 H new ATOM 0 HD1 PHE B 135 1.727 15.974 9.189 1.00 1.15 H new ATOM 0 HD2 PHE B 135 4.181 15.213 12.571 1.00 0.96 H new ATOM 0 HE1 PHE B 135 -0.254 15.333 10.468 1.00 1.36 H new ATOM 0 HE2 PHE B 135 2.198 14.570 13.857 1.00 1.19 H new ATOM 0 HZ PHE B 135 -0.026 14.629 12.813 1.00 1.23 H new ATOM 1695 N VAL B 136 6.509 14.559 7.656 1.00 0.66 N ATOM 1696 CA VAL B 136 7.764 13.892 7.578 1.00 0.68 C ATOM 1697 C VAL B 136 8.831 14.891 7.922 1.00 0.71 C ATOM 1698 O VAL B 136 9.416 15.542 7.059 1.00 0.74 O ATOM 1699 CB VAL B 136 7.998 13.244 6.187 1.00 0.73 C ATOM 1700 CG1 VAL B 136 8.973 12.083 6.305 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.666 12.777 5.588 1.00 0.74 C ATOM 0 H VAL B 136 6.241 15.079 6.821 1.00 0.66 H new ATOM 0 HA VAL B 136 7.788 13.064 8.286 1.00 0.68 H new ATOM 0 HB VAL B 136 8.431 13.989 5.519 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.129 11.637 5.323 1.00 0.75 H new ATOM 0 HG12 VAL B 136 9.925 12.445 6.694 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.566 11.333 6.983 1.00 0.75 H new ATOM 0 HG21 VAL B 136 6.844 12.325 4.613 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.207 12.043 6.250 1.00 0.74 H new ATOM 0 HG23 VAL B 136 5.998 13.631 5.475 1.00 0.74 H new ATOM 1711 N GLY B 137 9.057 15.011 9.219 1.00 0.72 N ATOM 1712 CA GLY B 137 10.077 15.937 9.703 1.00 0.76 C ATOM 1713 C GLY B 137 9.599 17.000 10.673 1.00 0.73 C ATOM 1714 O GLY B 137 10.322 17.957 10.933 1.00 0.83 O ATOM 0 H GLY B 137 8.562 14.493 9.945 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.865 15.359 10.186 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.527 16.433 8.843 1.00 0.76 H new ATOM 1718 N THR B 138 8.400 16.873 11.205 1.00 0.69 N ATOM 1719 CA THR B 138 7.906 17.878 12.140 1.00 0.70 C ATOM 1720 C THR B 138 8.137 17.432 13.563 1.00 0.73 C ATOM 1721 O THR B 138 8.366 16.247 13.810 1.00 0.77 O ATOM 1722 CB THR B 138 6.424 18.146 11.916 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.641 17.006 12.238 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.121 18.534 10.495 1.00 0.77 C ATOM 0 H THR B 138 7.758 16.104 11.015 1.00 0.69 H new ATOM 0 HA THR B 138 8.456 18.802 11.963 1.00 0.70 H new ATOM 0 HB THR B 138 6.170 18.977 12.574 1.00 0.73 H new ATOM 0 HG1 THR B 138 6.204 16.204 12.211 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.051 18.714 10.387 1.00 0.77 H new ATOM 0 HG22 THR B 138 6.669 19.441 10.241 1.00 0.77 H new ATOM 0 HG23 THR B 138 6.422 17.728 9.826 1.00 0.77 H new ATOM 1732 N ALA B 139 8.116 18.358 14.516 1.00 0.79 N ATOM 1733 CA ALA B 139 8.344 18.002 15.899 1.00 0.88 C ATOM 1734 C ALA B 139 7.284 17.053 16.419 1.00 0.83 C ATOM 1735 O ALA B 139 7.532 16.280 17.339 1.00 0.87 O ATOM 1736 CB ALA B 139 8.340 19.266 16.751 1.00 1.04 C ATOM 0 H ALA B 139 7.945 19.350 14.352 1.00 0.79 H new ATOM 0 HA ALA B 139 9.309 17.498 15.960 1.00 0.88 H new ATOM 0 HB1 ALA B 139 8.512 19.002 17.795 1.00 1.04 H new ATOM 0 HB2 ALA B 139 9.130 19.936 16.412 1.00 1.04 H new ATOM 0 HB3 ALA B 139 7.376 19.765 16.657 1.00 1.04 H new ATOM 1742 N GLU B 140 6.127 17.065 15.783 1.00 0.79 N ATOM 1743 CA GLU B 140 5.039 16.182 16.162 1.00 0.79 C ATOM 1744 C GLU B 140 5.394 14.726 15.865 1.00 0.73 C ATOM 1745 O GLU B 140 4.745 13.798 16.351 1.00 0.79 O ATOM 1746 CB GLU B 140 3.779 16.588 15.405 1.00 0.83 C ATOM 1747 CG GLU B 140 3.208 17.928 15.831 1.00 1.27 C ATOM 1748 CD GLU B 140 3.225 18.943 14.706 1.00 1.55 C ATOM 1749 OE1 GLU B 140 2.277 18.944 13.894 1.00 2.31 O ATOM 1750 OE2 GLU B 140 4.189 19.732 14.634 1.00 1.90 O ATOM 0 H GLU B 140 5.916 17.680 14.997 1.00 0.79 H new ATOM 0 HA GLU B 140 4.864 16.270 17.234 1.00 0.79 H new ATOM 0 HB2 GLU B 140 4.003 16.623 14.339 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.019 15.819 15.546 1.00 0.83 H new ATOM 0 HG2 GLU B 140 2.184 17.790 16.178 1.00 1.27 H new ATOM 0 HG3 GLU B 140 3.781 18.313 16.674 1.00 1.27 H new ATOM 1757 N ALA B 141 6.447 14.542 15.074 1.00 0.69 N ATOM 1758 CA ALA B 141 6.925 13.233 14.703 1.00 0.70 C ATOM 1759 C ALA B 141 7.998 12.774 15.665 1.00 0.77 C ATOM 1760 O ALA B 141 8.204 11.587 15.850 1.00 0.87 O ATOM 1761 CB ALA B 141 7.467 13.255 13.282 1.00 0.75 C ATOM 0 H ALA B 141 6.989 15.308 14.675 1.00 0.69 H new ATOM 0 HA ALA B 141 6.092 12.531 14.749 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.825 12.261 13.014 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.675 13.553 12.595 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.290 13.967 13.218 1.00 0.75 H new ATOM 1767 N LEU B 142 8.690 13.727 16.280 1.00 0.80 N ATOM 1768 CA LEU B 142 9.756 13.406 17.222 1.00 0.93 C ATOM 1769 C LEU B 142 9.326 12.343 18.242 1.00 1.06 C ATOM 1770 O LEU B 142 10.119 11.474 18.598 1.00 1.24 O ATOM 1771 CB LEU B 142 10.243 14.678 17.912 1.00 0.97 C ATOM 1772 CG LEU B 142 11.314 15.450 17.131 1.00 1.01 C ATOM 1773 CD1 LEU B 142 11.336 16.914 17.540 1.00 1.11 C ATOM 1774 CD2 LEU B 142 12.684 14.821 17.339 1.00 1.14 C ATOM 0 H LEU B 142 8.532 14.725 16.144 1.00 0.80 H new ATOM 0 HA LEU B 142 10.584 12.975 16.659 1.00 0.93 H new ATOM 0 HB2 LEU B 142 9.390 15.335 18.082 1.00 0.97 H new ATOM 0 HB3 LEU B 142 10.643 14.416 18.891 1.00 0.97 H new ATOM 0 HG LEU B 142 11.063 15.396 16.072 1.00 1.01 H new ATOM 0 HD11 LEU B 142 12.104 17.439 16.972 1.00 1.11 H new ATOM 0 HD12 LEU B 142 10.364 17.363 17.337 1.00 1.11 H new ATOM 0 HD13 LEU B 142 11.556 16.991 18.605 1.00 1.11 H new ATOM 0 HD21 LEU B 142 13.431 15.382 16.777 1.00 1.14 H new ATOM 0 HD22 LEU B 142 12.936 14.841 18.399 1.00 1.14 H new ATOM 0 HD23 LEU B 142 12.667 13.789 16.990 1.00 1.14 H new ATOM 1786 N ARG B 143 8.068 12.376 18.684 1.00 1.06 N ATOM 1787 CA ARG B 143 7.577 11.353 19.625 1.00 1.26 C ATOM 1788 C ARG B 143 7.682 9.958 18.973 1.00 1.27 C ATOM 1789 O ARG B 143 7.708 8.929 19.641 1.00 1.49 O ATOM 1790 CB ARG B 143 6.115 11.628 20.019 1.00 1.35 C ATOM 1791 CG ARG B 143 5.260 12.242 18.910 1.00 1.36 C ATOM 1792 CD ARG B 143 4.846 13.670 19.244 1.00 1.50 C ATOM 1793 NE ARG B 143 3.983 13.732 20.422 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.351 14.835 20.822 1.00 2.20 C ATOM 1795 NH1 ARG B 143 3.485 15.970 20.146 1.00 2.36 N ATOM 1796 NH2 ARG B 143 2.583 14.802 21.903 1.00 2.93 N ATOM 0 H ARG B 143 7.380 13.080 18.417 1.00 1.06 H new ATOM 0 HA ARG B 143 8.191 11.388 20.525 1.00 1.26 H new ATOM 0 HB2 ARG B 143 5.656 10.692 20.337 1.00 1.35 H new ATOM 0 HB3 ARG B 143 6.104 12.297 20.880 1.00 1.35 H new ATOM 0 HG2 ARG B 143 5.818 12.234 17.974 1.00 1.36 H new ATOM 0 HG3 ARG B 143 4.370 11.632 18.756 1.00 1.36 H new ATOM 0 HD2 ARG B 143 5.737 14.274 19.416 1.00 1.50 H new ATOM 0 HD3 ARG B 143 4.325 14.105 18.391 1.00 1.50 H new ATOM 0 HE ARG B 143 3.857 12.881 20.970 1.00 1.90 H new ATOM 0 HH11 ARG B 143 4.075 16.002 19.314 1.00 2.36 H new ATOM 0 HH12 ARG B 143 2.998 16.810 20.458 1.00 2.36 H new ATOM 0 HH21 ARG B 143 2.477 13.933 22.427 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.099 15.645 22.210 1.00 2.93 H new ATOM 1810 N CYS B 144 7.819 10.007 17.652 1.00 1.10 N ATOM 1811 CA CYS B 144 7.972 8.771 16.853 1.00 1.17 C ATOM 1812 C CYS B 144 9.209 7.959 17.322 1.00 1.44 C ATOM 1813 O CYS B 144 9.470 6.862 16.829 1.00 1.61 O ATOM 1814 CB CYS B 144 8.021 9.014 15.345 1.00 1.05 C ATOM 1815 SG CYS B 144 6.438 8.759 14.438 1.00 1.26 S ATOM 0 H CYS B 144 7.829 10.870 17.108 1.00 1.10 H new ATOM 0 HA CYS B 144 7.070 8.185 17.033 1.00 1.17 H new ATOM 0 HB2 CYS B 144 8.356 10.037 15.172 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.775 8.355 14.914 1.00 1.05 H new ATOM 1820 N GLN B 145 9.958 8.520 18.278 1.00 1.58 N ATOM 1821 CA GLN B 145 11.153 7.868 18.836 1.00 1.89 C ATOM 1822 C GLN B 145 10.791 6.615 19.651 1.00 2.14 C ATOM 1823 O GLN B 145 11.543 5.633 19.686 1.00 2.40 O ATOM 1824 CB GLN B 145 11.927 8.844 19.727 1.00 2.00 C ATOM 1825 CG GLN B 145 13.329 8.370 20.075 1.00 2.43 C ATOM 1826 CD GLN B 145 14.062 9.341 20.983 1.00 2.77 C ATOM 1827 OE1 GLN B 145 15.029 9.982 20.573 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.603 9.453 22.224 1.00 3.05 N ATOM 0 H GLN B 145 9.757 9.433 18.686 1.00 1.58 H new ATOM 0 HA GLN B 145 11.776 7.563 17.995 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.993 9.808 19.223 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.367 9.004 20.649 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.270 7.397 20.562 1.00 2.43 H new ATOM 0 HG3 GLN B 145 13.901 8.233 19.157 1.00 2.43 H new ATOM 0 HE21 GLN B 145 12.798 8.902 22.522 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.055 10.090 22.880 1.00 3.05 H new ATOM 1837 N GLU B 146 9.634 6.640 20.302 1.00 2.12 N ATOM 1838 CA GLU B 146 9.212 5.504 21.113 1.00 2.41 C ATOM 1839 C GLU B 146 8.485 4.476 20.261 1.00 2.40 C ATOM 1840 O GLU B 146 7.987 3.469 20.768 1.00 2.57 O ATOM 1841 CB GLU B 146 8.304 5.976 22.252 1.00 2.47 C ATOM 1842 CG GLU B 146 8.428 5.150 23.524 1.00 2.88 C ATOM 1843 CD GLU B 146 9.508 5.665 24.455 1.00 3.26 C ATOM 1844 OE1 GLU B 146 9.404 6.828 24.900 1.00 3.76 O ATOM 1845 OE2 GLU B 146 10.457 4.906 24.744 1.00 3.59 O ATOM 0 H GLU B 146 8.979 7.422 20.286 1.00 2.12 H new ATOM 0 HA GLU B 146 10.101 5.037 21.537 1.00 2.41 H new ATOM 0 HB2 GLU B 146 8.537 7.016 22.482 1.00 2.47 H new ATOM 0 HB3 GLU B 146 7.269 5.949 21.913 1.00 2.47 H new ATOM 0 HG2 GLU B 146 7.472 5.152 24.048 1.00 2.88 H new ATOM 0 HG3 GLU B 146 8.645 4.115 23.260 1.00 2.88 H new ATOM 1852 N GLU B 147 8.485 4.703 18.954 1.00 2.27 N ATOM 1853 CA GLU B 147 7.876 3.773 18.033 1.00 2.36 C ATOM 1854 C GLU B 147 8.864 2.654 17.729 1.00 2.40 C ATOM 1855 O GLU B 147 8.569 1.743 16.955 1.00 2.48 O ATOM 1856 CB GLU B 147 7.463 4.486 16.746 1.00 2.40 C ATOM 1857 CG GLU B 147 6.505 3.682 15.883 1.00 2.97 C ATOM 1858 CD GLU B 147 5.154 3.479 16.542 1.00 3.47 C ATOM 1859 OE1 GLU B 147 4.644 4.437 17.160 1.00 4.01 O ATOM 1860 OE2 GLU B 147 4.605 2.362 16.440 1.00 3.71 O ATOM 0 H GLU B 147 8.901 5.524 18.515 1.00 2.27 H new ATOM 0 HA GLU B 147 6.979 3.351 18.486 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.997 5.437 17.002 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.356 4.715 16.165 1.00 2.40 H new ATOM 0 HG2 GLU B 147 6.367 4.191 14.929 1.00 2.97 H new ATOM 0 HG3 GLU B 147 6.948 2.710 15.664 1.00 2.97 H new ATOM 1987 N SER B 156 -2.367 -3.215 8.856 1.00 2.21 N ATOM 1988 CA SER B 156 -1.967 -2.642 7.582 1.00 2.03 C ATOM 1989 C SER B 156 -3.201 -2.064 6.889 1.00 1.77 C ATOM 1990 O SER B 156 -3.614 -0.948 7.206 1.00 2.17 O ATOM 1991 CB SER B 156 -1.272 -3.701 6.712 1.00 2.58 C ATOM 1992 OG SER B 156 -0.653 -3.111 5.582 1.00 3.11 O ATOM 0 HA SER B 156 -1.249 -1.838 7.745 1.00 2.03 H new ATOM 0 HB2 SER B 156 -0.525 -4.229 7.305 1.00 2.58 H new ATOM 0 HB3 SER B 156 -2.001 -4.442 6.385 1.00 2.58 H new ATOM 0 HG SER B 156 -0.217 -3.807 5.047 1.00 3.11 H new ATOM 1998 N GLY B 157 -3.803 -2.797 5.948 1.00 1.55 N ATOM 1999 CA GLY B 157 -4.981 -2.284 5.270 1.00 1.82 C ATOM 2000 C GLY B 157 -4.734 -2.026 3.803 1.00 1.65 C ATOM 2001 O GLY B 157 -4.523 -2.962 3.027 1.00 2.07 O ATOM 0 H GLY B 157 -3.499 -3.723 5.649 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -5.798 -2.997 5.378 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -5.299 -1.359 5.750 1.00 1.82 H new ATOM 2005 N GLN B 158 -4.679 -0.753 3.429 1.00 1.33 N ATOM 2006 CA GLN B 158 -4.366 -0.398 2.067 1.00 1.42 C ATOM 2007 C GLN B 158 -3.190 0.504 2.174 1.00 1.04 C ATOM 2008 O GLN B 158 -3.297 1.721 2.077 1.00 0.95 O ATOM 2009 CB GLN B 158 -5.543 0.324 1.400 1.00 1.93 C ATOM 2010 CG GLN B 158 -6.165 1.415 2.264 1.00 2.76 C ATOM 2011 CD GLN B 158 -6.077 2.790 1.631 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -5.394 3.679 2.140 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -6.772 2.972 0.514 1.00 4.34 N ATOM 0 H GLN B 158 -4.847 0.038 4.050 1.00 1.33 H new ATOM 0 HA GLN B 158 -4.162 -1.275 1.453 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -5.203 0.765 0.463 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -6.310 -0.408 1.147 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -7.211 1.172 2.450 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -5.665 1.434 3.233 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -7.325 2.207 0.127 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -6.753 3.877 0.043 1.00 4.34 H new ATOM 2022 N LYS B 159 -2.099 -0.102 2.514 1.00 1.15 N ATOM 2023 CA LYS B 159 -0.879 0.596 2.723 1.00 1.13 C ATOM 2024 C LYS B 159 0.198 0.432 1.655 1.00 0.95 C ATOM 2025 O LYS B 159 0.657 1.390 1.025 1.00 0.91 O ATOM 2026 CB LYS B 159 -0.391 0.343 4.129 1.00 1.54 C ATOM 2027 CG LYS B 159 -1.480 0.548 5.175 1.00 1.91 C ATOM 2028 CD LYS B 159 -1.353 1.900 5.858 1.00 2.18 C ATOM 2029 CE LYS B 159 -2.653 2.311 6.533 1.00 2.81 C ATOM 2030 NZ LYS B 159 -2.504 3.568 7.319 1.00 3.54 N ATOM 0 H LYS B 159 -2.033 -1.110 2.656 1.00 1.15 H new ATOM 0 HA LYS B 159 -1.115 1.654 2.607 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -0.012 -0.677 4.200 1.00 1.54 H new ATOM 0 HB3 LYS B 159 0.444 1.009 4.345 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -2.459 0.469 4.702 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -1.422 -0.244 5.921 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -0.554 1.860 6.599 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -1.069 2.654 5.124 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -3.426 2.446 5.777 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -2.988 1.510 7.192 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -3.442 3.984 7.490 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -2.048 3.356 8.230 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -1.918 4.243 6.787 1.00 3.54 H new ATOM 2044 N PRO B 160 0.706 -0.814 1.545 1.00 1.05 N ATOM 2045 CA PRO B 160 1.819 -1.122 0.674 1.00 1.14 C ATOM 2046 C PRO B 160 1.652 -0.657 -0.752 1.00 1.10 C ATOM 2047 O PRO B 160 1.061 -1.324 -1.597 1.00 1.23 O ATOM 2048 CB PRO B 160 1.980 -2.645 0.760 1.00 1.46 C ATOM 2049 CG PRO B 160 0.750 -3.130 1.447 1.00 1.51 C ATOM 2050 CD PRO B 160 0.297 -1.996 2.322 1.00 1.27 C ATOM 0 HA PRO B 160 2.707 -0.582 1.002 1.00 1.14 H new ATOM 0 HB2 PRO B 160 2.078 -3.087 -0.231 1.00 1.46 H new ATOM 0 HB3 PRO B 160 2.876 -2.915 1.319 1.00 1.46 H new ATOM 0 HG2 PRO B 160 -0.021 -3.399 0.725 1.00 1.51 H new ATOM 0 HG3 PRO B 160 0.958 -4.022 2.039 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -0.780 -2.018 2.491 1.00 1.27 H new ATOM 0 HD3 PRO B 160 0.774 -2.023 3.302 1.00 1.27 H new ATOM 2058 N CYS B 161 2.233 0.500 -0.985 1.00 1.09 N ATOM 2059 CA CYS B 161 2.267 1.144 -2.279 1.00 1.15 C ATOM 2060 C CYS B 161 3.627 1.814 -2.373 1.00 1.37 C ATOM 2061 O CYS B 161 4.424 1.686 -1.442 1.00 1.58 O ATOM 2062 CB CYS B 161 1.105 2.153 -2.405 1.00 1.32 C ATOM 2063 SG CYS B 161 1.568 3.922 -2.387 1.00 1.58 S ATOM 0 H CYS B 161 2.709 1.034 -0.257 1.00 1.09 H new ATOM 0 HA CYS B 161 2.137 0.437 -3.098 1.00 1.15 H new ATOM 0 HB2 CYS B 161 0.572 1.948 -3.333 1.00 1.32 H new ATOM 0 HB3 CYS B 161 0.405 1.973 -1.589 1.00 1.32 H new ATOM 2068 N GLY B 162 3.948 2.484 -3.463 1.00 1.57 N ATOM 2069 CA GLY B 162 5.249 3.103 -3.507 1.00 1.88 C ATOM 2070 C GLY B 162 6.350 2.085 -3.611 1.00 2.05 C ATOM 2071 O GLY B 162 6.107 0.926 -3.945 1.00 2.37 O ATOM 0 H GLY B 162 3.359 2.608 -4.287 1.00 1.57 H new ATOM 0 HA2 GLY B 162 5.300 3.781 -4.359 1.00 1.88 H new ATOM 0 HA3 GLY B 162 5.395 3.706 -2.611 1.00 1.88 H new ATOM 2075 N SER B 163 7.570 2.531 -3.374 1.00 2.40 N ATOM 2076 CA SER B 163 8.758 1.664 -3.487 1.00 2.93 C ATOM 2077 C SER B 163 8.980 0.871 -2.217 1.00 2.71 C ATOM 2078 O SER B 163 10.102 0.733 -1.723 1.00 3.29 O ATOM 2079 CB SER B 163 10.007 2.489 -3.799 1.00 3.81 C ATOM 2080 OG SER B 163 9.736 3.494 -4.760 1.00 4.07 O ATOM 0 H SER B 163 7.778 3.491 -3.100 1.00 2.40 H new ATOM 0 HA SER B 163 8.576 0.969 -4.307 1.00 2.93 H new ATOM 0 HB2 SER B 163 10.379 2.950 -2.884 1.00 3.81 H new ATOM 0 HB3 SER B 163 10.795 1.833 -4.169 1.00 3.81 H new ATOM 0 HG SER B 163 10.553 4.006 -4.937 1.00 4.07 H new ATOM 2086 N GLY B 164 7.856 0.341 -1.700 1.00 2.12 N ATOM 2087 CA GLY B 164 7.847 -0.460 -0.494 1.00 2.11 C ATOM 2088 C GLY B 164 7.147 0.188 0.700 1.00 1.92 C ATOM 2089 O GLY B 164 7.262 -0.337 1.810 1.00 2.20 O ATOM 0 H GLY B 164 6.934 0.465 -2.119 1.00 2.12 H new ATOM 0 HA2 GLY B 164 7.361 -1.411 -0.710 1.00 2.11 H new ATOM 0 HA3 GLY B 164 8.877 -0.684 -0.216 1.00 2.11 H new ATOM 2093 N GLY B 165 6.457 1.324 0.534 1.00 1.61 N ATOM 2094 CA GLY B 165 5.848 1.945 1.697 1.00 1.60 C ATOM 2095 C GLY B 165 4.352 1.755 1.853 1.00 1.42 C ATOM 2096 O GLY B 165 3.629 1.528 0.889 1.00 1.62 O ATOM 0 H GLY B 165 6.315 1.807 -0.353 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.337 1.554 2.589 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.055 3.015 1.662 1.00 1.60 H new ATOM 2100 N ARG B 166 3.911 1.875 3.106 1.00 1.16 N ATOM 2101 CA ARG B 166 2.504 1.755 3.471 1.00 1.03 C ATOM 2102 C ARG B 166 1.820 3.108 3.297 1.00 0.95 C ATOM 2103 O ARG B 166 2.492 4.132 3.396 1.00 1.04 O ATOM 2104 CB ARG B 166 2.331 1.227 4.905 1.00 1.08 C ATOM 2105 CG ARG B 166 3.587 1.246 5.757 1.00 1.23 C ATOM 2106 CD ARG B 166 4.518 0.099 5.406 1.00 1.39 C ATOM 2107 NE ARG B 166 3.907 -1.204 5.671 1.00 1.79 N ATOM 2108 CZ ARG B 166 4.188 -2.310 4.984 1.00 2.31 C ATOM 2109 NH1 ARG B 166 5.067 -2.279 3.991 1.00 2.54 N ATOM 2110 NH2 ARG B 166 3.589 -3.452 5.294 1.00 3.05 N ATOM 0 H ARG B 166 4.526 2.059 3.899 1.00 1.16 H new ATOM 0 HA ARG B 166 2.034 1.027 2.810 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.564 1.820 5.403 1.00 1.08 H new ATOM 0 HB3 ARG B 166 1.960 0.203 4.856 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.108 2.194 5.618 1.00 1.23 H new ATOM 0 HG3 ARG B 166 3.314 1.184 6.810 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.792 0.164 4.353 1.00 1.39 H new ATOM 0 HD3 ARG B 166 5.439 0.191 5.981 1.00 1.39 H new ATOM 0 HE ARG B 166 3.225 -1.269 6.427 1.00 1.79 H new ATOM 0 HH11 ARG B 166 5.533 -1.404 3.749 1.00 2.54 H new ATOM 0 HH12 ARG B 166 5.277 -3.130 3.469 1.00 2.54 H new ATOM 0 HH21 ARG B 166 2.914 -3.483 6.058 1.00 3.05 H new ATOM 0 HH22 ARG B 166 3.804 -4.299 4.768 1.00 3.05 H new ATOM 2124 N CYS B 167 0.499 3.156 3.020 1.00 0.87 N ATOM 2125 CA CYS B 167 -0.127 4.415 2.835 1.00 0.88 C ATOM 2126 C CYS B 167 -0.205 5.139 4.150 1.00 0.88 C ATOM 2127 O CYS B 167 -1.006 4.801 5.019 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.510 4.257 2.212 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.643 4.980 0.548 1.00 1.56 S ATOM 0 H CYS B 167 -0.112 2.344 2.928 1.00 0.87 H new ATOM 0 HA CYS B 167 0.473 5.006 2.143 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.757 3.197 2.160 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -2.249 4.725 2.863 1.00 0.94 H new ATOM 2134 N ALA B 168 0.608 6.157 4.279 1.00 0.90 N ATOM 2135 CA ALA B 168 0.614 6.955 5.481 1.00 0.95 C ATOM 2136 C ALA B 168 -0.732 7.650 5.612 1.00 0.96 C ATOM 2137 O ALA B 168 -1.228 7.920 6.706 1.00 1.04 O ATOM 2138 CB ALA B 168 1.745 7.971 5.401 1.00 0.96 C ATOM 0 H ALA B 168 1.275 6.454 3.567 1.00 0.90 H new ATOM 0 HA ALA B 168 0.775 6.328 6.358 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.754 8.577 6.307 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.697 7.449 5.304 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.595 8.615 4.535 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.240 8.024 4.455 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.478 8.793 4.337 1.00 0.94 C ATOM 2146 C ALA B 169 -2.977 8.849 2.910 1.00 0.91 C ATOM 2147 O ALA B 169 -2.234 8.559 1.976 1.00 0.87 O ATOM 2148 CB ALA B 169 -2.253 10.189 4.817 1.00 0.98 C ATOM 0 H ALA B 169 -0.807 7.804 3.558 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.230 8.291 4.946 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -3.178 10.758 4.727 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.939 10.169 5.861 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -1.477 10.660 4.214 1.00 0.98 H new ATOM 2154 N ALA B 170 -4.231 9.240 2.740 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.791 9.345 1.393 1.00 1.00 C ATOM 2156 C ALA B 170 -4.134 10.467 0.587 1.00 1.04 C ATOM 2157 O ALA B 170 -4.745 11.498 0.315 1.00 1.25 O ATOM 2158 CB ALA B 170 -6.295 9.513 1.389 1.00 1.15 C ATOM 0 H ALA B 170 -4.871 9.486 3.496 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.568 8.393 0.911 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -6.650 9.585 0.361 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.758 8.654 1.874 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -6.561 10.421 1.929 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.883 10.241 0.207 1.00 1.15 N ATOM 2165 CA GLY B 171 -2.116 11.198 -0.575 1.00 1.28 C ATOM 2166 C GLY B 171 -0.639 10.865 -0.623 1.00 1.22 C ATOM 2167 O GLY B 171 0.003 10.950 -1.672 1.00 1.29 O ATOM 0 H GLY B 171 -2.372 9.388 0.433 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -2.510 11.230 -1.591 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.246 12.194 -0.152 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.079 10.602 0.544 1.00 1.13 N ATOM 2172 CA ILE B 172 1.357 10.344 0.705 1.00 1.09 C ATOM 2173 C ILE B 172 1.623 8.919 1.193 1.00 1.02 C ATOM 2174 O ILE B 172 1.132 8.502 2.243 1.00 1.34 O ATOM 2175 CB ILE B 172 1.974 11.354 1.691 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.018 11.639 2.842 1.00 1.09 C ATOM 2177 CG2 ILE B 172 2.333 12.648 0.976 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.327 10.808 4.041 1.00 0.91 C ATOM 0 H ILE B 172 -0.604 10.559 1.418 1.00 1.13 H new ATOM 0 HA ILE B 172 1.822 10.459 -0.274 1.00 1.09 H new ATOM 0 HB ILE B 172 2.885 10.915 2.098 1.00 1.53 H new ATOM 0 HG12 ILE B 172 1.074 12.695 3.108 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.005 11.446 2.520 1.00 1.09 H new ATOM 0 HG21 ILE B 172 2.767 13.349 1.689 1.00 2.27 H new ATOM 0 HG22 ILE B 172 3.055 12.439 0.186 1.00 2.27 H new ATOM 0 HG23 ILE B 172 1.434 13.084 0.540 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.622 11.043 4.838 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.245 9.752 3.783 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.341 11.021 4.380 1.00 0.91 H new ATOM 2190 N CYS B 173 2.392 8.176 0.409 1.00 0.81 N ATOM 2191 CA CYS B 173 2.737 6.796 0.734 1.00 1.04 C ATOM 2192 C CYS B 173 4.092 6.753 1.425 1.00 1.06 C ATOM 2193 O CYS B 173 5.113 7.074 0.817 1.00 1.19 O ATOM 2194 CB CYS B 173 2.778 5.954 -0.538 1.00 1.17 C ATOM 2195 SG CYS B 173 1.916 4.353 -0.435 1.00 1.94 S ATOM 0 H CYS B 173 2.794 8.510 -0.467 1.00 0.81 H new ATOM 0 HA CYS B 173 1.980 6.389 1.404 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.341 6.532 -1.352 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.820 5.771 -0.801 1.00 1.17 H new ATOM 2200 N CYS B 174 4.101 6.408 2.706 1.00 0.97 N ATOM 2201 CA CYS B 174 5.345 6.376 3.459 1.00 0.99 C ATOM 2202 C CYS B 174 6.090 5.057 3.292 1.00 1.16 C ATOM 2203 O CYS B 174 5.603 3.995 3.672 1.00 1.35 O ATOM 2204 CB CYS B 174 5.085 6.663 4.936 1.00 1.12 C ATOM 2205 SG CYS B 174 5.299 8.417 5.375 1.00 1.26 S ATOM 0 H CYS B 174 3.271 6.149 3.239 1.00 0.97 H new ATOM 0 HA CYS B 174 5.986 7.159 3.053 1.00 0.99 H new ATOM 0 HB2 CYS B 174 4.070 6.354 5.186 1.00 1.12 H new ATOM 0 HB3 CYS B 174 5.761 6.059 5.541 1.00 1.12 H new ATOM 2210 N SER B 175 7.288 5.159 2.723 1.00 1.15 N ATOM 2211 CA SER B 175 8.160 4.013 2.497 1.00 1.38 C ATOM 2212 C SER B 175 9.104 3.861 3.685 1.00 1.29 C ATOM 2213 O SER B 175 9.030 4.643 4.633 1.00 1.12 O ATOM 2214 CB SER B 175 8.941 4.196 1.190 1.00 1.48 C ATOM 2215 OG SER B 175 9.596 5.451 1.157 1.00 2.00 O ATOM 0 H SER B 175 7.682 6.044 2.404 1.00 1.15 H new ATOM 0 HA SER B 175 7.563 3.106 2.405 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.675 3.397 1.087 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.261 4.115 0.342 1.00 1.48 H new ATOM 0 HG SER B 175 10.200 5.485 0.386 1.00 2.00 H new ATOM 2221 N PRO B 176 10.004 2.863 3.680 1.00 1.49 N ATOM 2222 CA PRO B 176 10.932 2.660 4.790 1.00 1.45 C ATOM 2223 C PRO B 176 12.050 3.700 4.788 1.00 1.20 C ATOM 2224 O PRO B 176 13.163 3.437 5.245 1.00 1.25 O ATOM 2225 CB PRO B 176 11.506 1.253 4.542 1.00 1.77 C ATOM 2226 CG PRO B 176 10.730 0.687 3.394 1.00 1.90 C ATOM 2227 CD PRO B 176 10.191 1.859 2.629 1.00 1.81 C ATOM 0 HA PRO B 176 10.439 2.758 5.757 1.00 1.45 H new ATOM 0 HB2 PRO B 176 12.569 1.301 4.308 1.00 1.77 H new ATOM 0 HB3 PRO B 176 11.403 0.628 5.429 1.00 1.77 H new ATOM 0 HG2 PRO B 176 11.368 0.070 2.761 1.00 1.90 H new ATOM 0 HG3 PRO B 176 9.920 0.049 3.749 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.888 2.199 1.862 1.00 1.81 H new ATOM 0 HD3 PRO B 176 9.255 1.619 2.125 1.00 1.81 H new ATOM 2235 N ASP B 177 11.732 4.889 4.275 1.00 1.01 N ATOM 2236 CA ASP B 177 12.682 5.993 4.214 1.00 0.92 C ATOM 2237 C ASP B 177 11.968 7.336 4.412 1.00 0.83 C ATOM 2238 O ASP B 177 12.500 8.238 5.062 1.00 0.90 O ATOM 2239 CB ASP B 177 13.432 5.979 2.879 1.00 1.18 C ATOM 2240 CG ASP B 177 12.496 5.984 1.688 1.00 1.96 C ATOM 2241 OD1 ASP B 177 11.978 7.068 1.345 1.00 2.72 O ATOM 2242 OD2 ASP B 177 12.279 4.905 1.097 1.00 2.51 O ATOM 0 H ASP B 177 10.813 5.110 3.893 1.00 1.01 H new ATOM 0 HA ASP B 177 13.404 5.867 5.021 1.00 0.92 H new ATOM 0 HB2 ASP B 177 14.088 6.848 2.825 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.069 5.096 2.833 1.00 1.18 H new ATOM 2247 N GLY B 178 10.762 7.460 3.847 1.00 0.89 N ATOM 2248 CA GLY B 178 10.007 8.696 3.976 1.00 0.87 C ATOM 2249 C GLY B 178 8.573 8.578 3.498 1.00 0.85 C ATOM 2250 O GLY B 178 7.869 7.625 3.827 1.00 0.99 O ATOM 0 H GLY B 178 10.300 6.729 3.306 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.010 9.007 5.021 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.508 9.480 3.408 1.00 0.87 H new ATOM 2254 N CYS B 179 8.148 9.566 2.715 1.00 0.78 N ATOM 2255 CA CYS B 179 6.792 9.603 2.176 1.00 0.79 C ATOM 2256 C CYS B 179 6.778 10.235 0.783 1.00 0.77 C ATOM 2257 O CYS B 179 7.619 11.074 0.457 1.00 0.88 O ATOM 2258 CB CYS B 179 5.870 10.382 3.118 1.00 0.92 C ATOM 2259 SG CYS B 179 4.491 9.400 3.793 1.00 1.34 S ATOM 0 H CYS B 179 8.729 10.358 2.438 1.00 0.78 H new ATOM 0 HA CYS B 179 6.429 8.579 2.092 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.461 10.774 3.945 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.463 11.240 2.583 1.00 0.92 H new ATOM 2264 N HIS B 180 5.822 9.831 -0.049 1.00 0.70 N ATOM 2265 CA HIS B 180 5.736 10.373 -1.404 1.00 0.75 C ATOM 2266 C HIS B 180 4.314 10.293 -1.950 1.00 0.69 C ATOM 2267 O HIS B 180 3.492 9.522 -1.458 1.00 0.66 O ATOM 2268 CB HIS B 180 6.702 9.627 -2.329 1.00 0.89 C ATOM 2269 CG HIS B 180 6.340 8.191 -2.542 1.00 0.94 C ATOM 2270 ND1 HIS B 180 6.526 7.215 -1.585 1.00 1.60 N ATOM 2271 CD2 HIS B 180 5.793 7.567 -3.610 1.00 1.70 C ATOM 2272 CE1 HIS B 180 6.111 6.054 -2.057 1.00 2.03 C ATOM 2273 NE2 HIS B 180 5.661 6.242 -3.284 1.00 2.10 N ATOM 0 H HIS B 180 5.107 9.142 0.184 1.00 0.70 H new ATOM 0 HA HIS B 180 6.017 11.425 -1.363 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.731 10.133 -3.294 1.00 0.89 H new ATOM 0 HB3 HIS B 180 7.707 9.681 -1.911 1.00 0.89 H new ATOM 0 HD1 HIS B 180 6.922 7.367 -0.657 1.00 1.60 H new ATOM 0 HD2 HIS B 180 5.512 8.027 -4.546 1.00 1.70 H new ATOM 0 HE1 HIS B 180 6.135 5.112 -1.530 1.00 2.03 H new ATOM 2282 N GLU B 181 4.029 11.095 -2.973 1.00 0.75 N ATOM 2283 CA GLU B 181 2.704 11.108 -3.582 1.00 0.77 C ATOM 2284 C GLU B 181 2.363 9.726 -4.130 1.00 0.73 C ATOM 2285 O GLU B 181 3.225 9.037 -4.672 1.00 0.94 O ATOM 2286 CB GLU B 181 2.649 12.150 -4.703 1.00 0.93 C ATOM 2287 CG GLU B 181 1.918 13.424 -4.317 1.00 1.69 C ATOM 2288 CD GLU B 181 2.320 14.605 -5.178 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.490 15.033 -5.088 1.00 2.69 O ATOM 2290 OE2 GLU B 181 1.465 15.100 -5.942 1.00 3.06 O ATOM 0 H GLU B 181 4.696 11.741 -3.395 1.00 0.75 H new ATOM 0 HA GLU B 181 1.970 11.373 -2.821 1.00 0.77 H new ATOM 0 HB2 GLU B 181 3.666 12.402 -5.003 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.160 11.710 -5.572 1.00 0.93 H new ATOM 0 HG2 GLU B 181 0.843 13.264 -4.404 1.00 1.69 H new ATOM 0 HG3 GLU B 181 2.122 13.654 -3.271 1.00 1.69 H new ATOM 2297 N ASP B 182 1.108 9.315 -3.965 1.00 0.77 N ATOM 2298 CA ASP B 182 0.674 7.999 -4.434 1.00 0.79 C ATOM 2299 C ASP B 182 -0.774 8.030 -4.948 1.00 0.97 C ATOM 2300 O ASP B 182 -1.623 8.710 -4.375 1.00 1.22 O ATOM 2301 CB ASP B 182 0.824 6.982 -3.303 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.128 7.248 -2.155 1.00 1.39 C ATOM 2303 OD1 ASP B 182 0.102 8.222 -1.406 1.00 1.88 O ATOM 2304 OD2 ASP B 182 -1.103 6.483 -2.005 1.00 2.06 O ATOM 0 H ASP B 182 0.379 9.868 -3.514 1.00 0.77 H new ATOM 0 HA ASP B 182 1.306 7.705 -5.272 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.646 5.980 -3.694 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.849 7.003 -2.933 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.067 7.305 -6.054 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.408 7.265 -6.658 1.00 1.41 C ATOM 2311 C PRO B 183 -3.392 6.369 -5.908 1.00 1.28 C ATOM 2312 O PRO B 183 -4.603 6.456 -6.116 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.161 6.701 -8.066 1.00 1.79 C ATOM 2314 CG PRO B 183 -0.677 6.573 -8.211 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.123 6.486 -6.819 1.00 1.41 C ATOM 0 HA PRO B 183 -2.865 8.254 -6.642 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -2.649 5.734 -8.189 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.571 7.364 -8.828 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -0.418 5.686 -8.789 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.263 7.431 -8.741 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.091 5.458 -6.458 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.893 6.876 -6.761 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.875 5.526 -5.026 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.719 4.654 -4.231 1.00 1.18 C ATOM 2325 C ALA B 184 -4.434 5.521 -3.230 1.00 1.22 C ATOM 2326 O ALA B 184 -5.653 5.463 -3.068 1.00 1.56 O ATOM 2327 CB ALA B 184 -2.896 3.577 -3.540 1.00 1.21 C ATOM 0 H ALA B 184 -1.876 5.429 -4.845 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.437 4.134 -4.865 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.554 2.938 -2.951 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.381 2.976 -4.289 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.162 4.045 -2.884 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.641 6.380 -2.613 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.142 7.348 -1.674 1.00 1.23 C ATOM 2335 C CYS B 185 -4.100 8.707 -2.352 1.00 1.50 C ATOM 2336 O CYS B 185 -3.130 9.449 -2.254 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.347 7.322 -0.373 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.513 5.749 0.529 1.00 1.46 S ATOM 0 H CYS B 185 -2.632 6.420 -2.754 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.169 7.114 -1.393 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.294 7.499 -0.593 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.681 8.139 0.267 1.00 1.19 H new ATOM 2343 N ASP B 186 -5.156 8.961 -3.100 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.313 10.174 -3.893 1.00 1.92 C ATOM 2345 C ASP B 186 -6.759 10.420 -4.378 1.00 1.82 C ATOM 2346 O ASP B 186 -7.087 11.557 -4.713 1.00 2.28 O ATOM 2347 CB ASP B 186 -4.369 10.125 -5.091 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.793 11.483 -5.441 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -3.077 12.063 -4.597 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -4.055 11.966 -6.563 1.00 3.49 O ATOM 0 H ASP B 186 -5.946 8.321 -3.178 1.00 1.54 H new ATOM 0 HA ASP B 186 -5.065 11.008 -3.236 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -3.554 9.434 -4.877 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -4.905 9.729 -5.954 1.00 2.44 H new