USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0.0011 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -30:sc= -2.1! 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 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.0168 F(o=-0.57,f=-0.017) USER MOD Single : B 110 CYS SG : rot 180:sc= -1.03 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 -18:sc= -2.18! 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 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 9.962 32.685 -1.023 1.00 2.54 N ATOM 146 CA CYS A 10 9.977 31.856 0.159 1.00 1.93 C ATOM 147 C CYS A 10 8.607 31.220 0.373 1.00 1.72 C ATOM 148 O CYS A 10 7.934 31.504 1.362 1.00 1.97 O ATOM 149 CB CYS A 10 10.468 32.645 1.367 1.00 2.28 C ATOM 150 SG CYS A 10 12.011 31.983 2.095 1.00 2.68 S ATOM 0 HA CYS A 10 10.686 31.040 0.021 1.00 1.93 H new ATOM 0 HB2 CYS A 10 10.631 33.682 1.072 1.00 2.28 H new ATOM 0 HB3 CYS A 10 9.689 32.649 2.129 1.00 2.28 H new ATOM 0 HG CYS A 10 12.358 32.713 3.113 1.00 2.68 H new ATOM 155 N LEU A 11 8.185 30.396 -0.588 1.00 1.49 N ATOM 156 CA LEU A 11 6.875 29.731 -0.549 1.00 1.39 C ATOM 157 C LEU A 11 6.397 29.394 0.870 1.00 1.20 C ATOM 158 O LEU A 11 6.908 28.462 1.484 1.00 1.16 O ATOM 159 CB LEU A 11 6.897 28.422 -1.361 1.00 1.55 C ATOM 160 CG LEU A 11 7.246 28.525 -2.853 1.00 1.91 C ATOM 161 CD1 LEU A 11 6.622 29.756 -3.491 1.00 2.48 C ATOM 162 CD2 LEU A 11 8.752 28.519 -3.050 1.00 2.29 C ATOM 0 H LEU A 11 8.738 30.169 -1.415 1.00 1.49 H new ATOM 0 HA LEU A 11 6.181 30.451 -0.982 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.613 27.747 -0.893 1.00 1.55 H new ATOM 0 HB3 LEU A 11 5.916 27.955 -1.275 1.00 1.55 H new ATOM 0 HG LEU A 11 6.827 27.651 -3.352 1.00 1.91 H new ATOM 0 HD11 LEU A 11 6.891 29.795 -4.547 1.00 2.48 H new ATOM 0 HD12 LEU A 11 5.537 29.706 -3.395 1.00 2.48 H new ATOM 0 HD13 LEU A 11 6.989 30.651 -2.990 1.00 2.48 H new ATOM 0 HD21 LEU A 11 8.980 28.593 -4.113 1.00 2.29 H new ATOM 0 HD22 LEU A 11 9.191 29.367 -2.525 1.00 2.29 H new ATOM 0 HD23 LEU A 11 9.167 27.593 -2.653 1.00 2.29 H new ATOM 174 N PRO A 12 5.359 30.082 1.381 1.00 1.19 N ATOM 175 CA PRO A 12 4.782 29.773 2.689 1.00 1.11 C ATOM 176 C PRO A 12 4.245 28.343 2.706 1.00 1.01 C ATOM 177 O PRO A 12 3.803 27.834 1.671 1.00 1.05 O ATOM 178 CB PRO A 12 3.675 30.809 2.889 1.00 1.29 C ATOM 179 CG PRO A 12 3.362 31.321 1.529 1.00 1.49 C ATOM 180 CD PRO A 12 4.616 31.165 0.702 1.00 1.39 C ATOM 0 HA PRO A 12 5.513 29.824 3.496 1.00 1.11 H new ATOM 0 HB2 PRO A 12 2.796 30.360 3.352 1.00 1.29 H new ATOM 0 HB3 PRO A 12 4.005 31.614 3.546 1.00 1.29 H new ATOM 0 HG2 PRO A 12 2.536 30.763 1.087 1.00 1.49 H new ATOM 0 HG3 PRO A 12 3.055 32.366 1.571 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.384 30.903 -0.330 1.00 1.39 H new ATOM 0 HD3 PRO A 12 5.194 32.089 0.674 1.00 1.39 H new ATOM 188 N CYS A 13 4.123 27.755 3.890 1.00 0.93 N ATOM 189 CA CYS A 13 3.492 26.457 4.006 1.00 0.89 C ATOM 190 C CYS A 13 3.000 26.187 5.453 1.00 0.90 C ATOM 191 O CYS A 13 3.355 26.897 6.393 1.00 1.00 O ATOM 192 CB CYS A 13 4.482 25.418 3.476 1.00 0.82 C ATOM 193 SG CYS A 13 4.256 23.718 4.048 1.00 0.86 S ATOM 0 H CYS A 13 4.450 28.154 4.770 1.00 0.93 H new ATOM 0 HA CYS A 13 2.583 26.406 3.406 1.00 0.89 H new ATOM 0 HB2 CYS A 13 4.429 25.421 2.387 1.00 0.82 H new ATOM 0 HB3 CYS A 13 5.488 25.737 3.747 1.00 0.82 H new ATOM 198 N GLY A 14 2.227 25.119 5.620 1.00 0.91 N ATOM 199 CA GLY A 14 1.754 24.741 6.943 1.00 0.98 C ATOM 200 C GLY A 14 0.675 25.638 7.478 1.00 1.10 C ATOM 201 O GLY A 14 0.027 26.355 6.718 1.00 1.15 O ATOM 0 H GLY A 14 1.919 24.507 4.864 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.379 23.718 6.906 1.00 0.98 H new ATOM 0 HA3 GLY A 14 2.596 24.747 7.635 1.00 0.98 H new ATOM 205 N PRO A 15 0.457 25.635 8.798 1.00 1.19 N ATOM 206 CA PRO A 15 -0.540 26.475 9.438 1.00 1.33 C ATOM 207 C PRO A 15 -0.305 27.970 9.409 1.00 1.40 C ATOM 208 O PRO A 15 0.639 28.462 10.003 1.00 1.57 O ATOM 209 CB PRO A 15 -0.468 26.041 10.887 1.00 1.46 C ATOM 210 CG PRO A 15 0.967 25.804 10.980 1.00 1.39 C ATOM 211 CD PRO A 15 1.196 24.882 9.824 1.00 1.21 C ATOM 0 HA PRO A 15 -1.485 26.345 8.910 1.00 1.33 H new ATOM 0 HB2 PRO A 15 -0.813 26.812 11.576 1.00 1.46 H new ATOM 0 HB3 PRO A 15 -1.057 25.146 11.089 1.00 1.46 H new ATOM 0 HG2 PRO A 15 1.541 26.726 10.889 1.00 1.39 H new ATOM 0 HG3 PRO A 15 1.246 25.347 11.930 1.00 1.39 H new ATOM 0 HD2 PRO A 15 2.252 24.761 9.582 1.00 1.21 H new ATOM 0 HD3 PRO A 15 0.790 23.884 9.991 1.00 1.21 H new ATOM 219 N GLY A 16 -0.899 28.597 8.500 1.00 1.34 N ATOM 220 CA GLY A 16 -0.620 29.997 8.296 1.00 1.47 C ATOM 221 C GLY A 16 0.535 30.264 7.422 1.00 1.43 C ATOM 222 O GLY A 16 0.803 31.427 7.113 1.00 1.68 O ATOM 0 H GLY A 16 -1.589 28.193 7.866 1.00 1.34 H new ATOM 0 HA2 GLY A 16 -1.502 30.473 7.868 1.00 1.47 H new ATOM 0 HA3 GLY A 16 -0.444 30.465 9.264 1.00 1.47 H new ATOM 226 N GLY A 17 1.220 29.244 6.950 1.00 1.28 N ATOM 227 CA GLY A 17 2.293 29.494 6.056 1.00 1.25 C ATOM 228 C GLY A 17 3.566 29.929 6.707 1.00 1.24 C ATOM 229 O GLY A 17 4.258 30.820 6.226 1.00 1.36 O ATOM 0 H GLY A 17 1.048 28.263 7.172 1.00 1.28 H new ATOM 0 HA2 GLY A 17 2.487 28.588 5.482 1.00 1.25 H new ATOM 0 HA3 GLY A 17 1.984 30.261 5.346 1.00 1.25 H new ATOM 233 N LYS A 18 3.888 29.203 7.787 1.00 1.18 N ATOM 234 CA LYS A 18 5.125 29.378 8.546 1.00 1.23 C ATOM 235 C LYS A 18 6.215 28.403 8.070 1.00 1.13 C ATOM 236 O LYS A 18 7.392 28.541 8.419 1.00 1.22 O ATOM 237 CB LYS A 18 4.887 29.168 10.050 1.00 1.28 C ATOM 238 CG LYS A 18 3.426 29.266 10.480 1.00 1.34 C ATOM 239 CD LYS A 18 3.239 30.281 11.599 1.00 1.73 C ATOM 240 CE LYS A 18 2.268 29.778 12.658 1.00 1.91 C ATOM 241 NZ LYS A 18 0.947 30.457 12.563 1.00 2.50 N ATOM 0 H LYS A 18 3.285 28.469 8.159 1.00 1.18 H new ATOM 0 HA LYS A 18 5.461 30.401 8.374 1.00 1.23 H new ATOM 0 HB2 LYS A 18 5.270 28.187 10.332 1.00 1.28 H new ATOM 0 HB3 LYS A 18 5.466 29.908 10.603 1.00 1.28 H new ATOM 0 HG2 LYS A 18 2.812 29.549 9.625 1.00 1.34 H new ATOM 0 HG3 LYS A 18 3.077 28.288 10.813 1.00 1.34 H new ATOM 0 HD2 LYS A 18 4.203 30.495 12.061 1.00 1.73 H new ATOM 0 HD3 LYS A 18 2.870 31.218 11.182 1.00 1.73 H new ATOM 0 HE2 LYS A 18 2.133 28.702 12.546 1.00 1.91 H new ATOM 0 HE3 LYS A 18 2.692 29.944 13.648 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 0.405 30.286 13.434 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 1.090 31.480 12.440 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 0.421 30.081 11.749 1.00 2.50 H new ATOM 255 N GLY A 19 5.831 27.446 7.222 1.00 1.02 N ATOM 256 CA GLY A 19 6.702 26.438 6.633 1.00 0.95 C ATOM 257 C GLY A 19 6.914 26.804 5.190 1.00 0.91 C ATOM 258 O GLY A 19 6.508 27.900 4.803 1.00 1.00 O ATOM 0 H GLY A 19 4.862 27.352 6.917 1.00 1.02 H new ATOM 0 HA2 GLY A 19 7.654 26.399 7.162 1.00 0.95 H new ATOM 0 HA3 GLY A 19 6.252 25.449 6.715 1.00 0.95 H new ATOM 262 N ARG A 20 7.585 26.003 4.354 1.00 0.86 N ATOM 263 CA ARG A 20 7.786 26.382 2.972 1.00 0.86 C ATOM 264 C ARG A 20 7.356 25.199 2.064 1.00 0.80 C ATOM 265 O ARG A 20 7.060 24.114 2.570 1.00 0.78 O ATOM 266 CB ARG A 20 9.254 26.712 2.803 1.00 0.94 C ATOM 267 CG ARG A 20 9.523 28.041 2.134 1.00 1.13 C ATOM 268 CD ARG A 20 10.864 28.618 2.575 1.00 1.55 C ATOM 269 NE ARG A 20 11.967 27.673 2.384 1.00 1.82 N ATOM 270 CZ ARG A 20 13.243 27.943 2.676 1.00 2.25 C ATOM 271 NH1 ARG A 20 13.585 29.124 3.175 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.180 27.027 2.466 1.00 2.92 N ATOM 0 H ARG A 20 7.988 25.103 4.616 1.00 0.86 H new ATOM 0 HA ARG A 20 7.189 27.251 2.694 1.00 0.86 H new ATOM 0 HB2 ARG A 20 9.729 26.710 3.784 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.726 25.923 2.218 1.00 0.94 H new ATOM 0 HG2 ARG A 20 9.517 27.914 1.051 1.00 1.13 H new ATOM 0 HG3 ARG A 20 8.725 28.742 2.377 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.068 29.529 2.012 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.808 28.899 3.627 1.00 1.55 H new ATOM 0 HE ARG A 20 11.748 26.752 2.005 1.00 1.82 H new ATOM 0 HH11 ARG A 20 12.872 29.834 3.339 1.00 2.59 H new ATOM 0 HH12 ARG A 20 14.561 29.321 3.395 1.00 2.59 H new ATOM 0 HH21 ARG A 20 13.926 26.117 2.082 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.154 27.233 2.689 1.00 2.92 H new ATOM 286 N CYS A 21 7.296 25.388 0.740 1.00 0.82 N ATOM 287 CA CYS A 21 6.862 24.290 -0.145 1.00 0.81 C ATOM 288 C CYS A 21 8.013 23.690 -0.949 1.00 0.84 C ATOM 289 O CYS A 21 8.928 24.389 -1.384 1.00 1.04 O ATOM 290 CB CYS A 21 5.770 24.766 -1.118 1.00 0.91 C ATOM 291 SG CYS A 21 4.069 24.309 -0.631 1.00 1.10 S ATOM 0 H CYS A 21 7.533 26.259 0.266 1.00 0.82 H new ATOM 0 HA CYS A 21 6.466 23.515 0.511 1.00 0.81 H new ATOM 0 HB2 CYS A 21 5.829 25.851 -1.208 1.00 0.91 H new ATOM 0 HB3 CYS A 21 5.975 24.352 -2.105 1.00 0.91 H new ATOM 296 N PHE A 22 7.938 22.369 -1.138 1.00 0.76 N ATOM 297 CA PHE A 22 8.945 21.621 -1.888 1.00 0.83 C ATOM 298 C PHE A 22 8.335 20.326 -2.432 1.00 0.94 C ATOM 299 O PHE A 22 8.808 19.228 -2.137 1.00 1.43 O ATOM 300 CB PHE A 22 10.143 21.307 -0.987 1.00 0.85 C ATOM 301 CG PHE A 22 10.897 22.528 -0.548 1.00 0.84 C ATOM 302 CD1 PHE A 22 11.936 23.032 -1.318 1.00 1.40 C ATOM 303 CD2 PHE A 22 10.570 23.175 0.636 1.00 1.42 C ATOM 304 CE1 PHE A 22 12.632 24.158 -0.917 1.00 1.51 C ATOM 305 CE2 PHE A 22 11.265 24.302 1.039 1.00 1.50 C ATOM 306 CZ PHE A 22 12.295 24.793 0.262 1.00 1.14 C ATOM 0 H PHE A 22 7.179 21.792 -0.776 1.00 0.76 H new ATOM 0 HA PHE A 22 9.288 22.227 -2.727 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.794 20.769 -0.106 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.823 20.641 -1.519 1.00 0.85 H new ATOM 0 HD1 PHE A 22 12.204 22.539 -2.241 1.00 1.40 H new ATOM 0 HD2 PHE A 22 9.766 22.795 1.248 1.00 1.42 H new ATOM 0 HE1 PHE A 22 13.438 24.540 -1.525 1.00 1.51 H new ATOM 0 HE2 PHE A 22 11.001 24.797 1.962 1.00 1.50 H new ATOM 0 HZ PHE A 22 12.837 25.673 0.576 1.00 1.14 H new ATOM 316 N GLY A 23 7.270 20.475 -3.221 1.00 0.83 N ATOM 317 CA GLY A 23 6.578 19.330 -3.792 1.00 0.88 C ATOM 318 C GLY A 23 5.095 19.370 -3.465 1.00 0.88 C ATOM 319 O GLY A 23 4.723 19.882 -2.411 1.00 0.90 O ATOM 0 H GLY A 23 6.872 21.379 -3.476 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.715 19.320 -4.873 1.00 0.88 H new ATOM 0 HA3 GLY A 23 7.014 18.408 -3.407 1.00 0.88 H new ATOM 323 N PRO A 24 4.208 18.856 -4.343 1.00 1.01 N ATOM 324 CA PRO A 24 2.762 18.880 -4.090 1.00 1.07 C ATOM 325 C PRO A 24 2.401 18.294 -2.729 1.00 0.96 C ATOM 326 O PRO A 24 2.109 19.042 -1.804 1.00 1.03 O ATOM 327 CB PRO A 24 2.177 18.043 -5.227 1.00 1.32 C ATOM 328 CG PRO A 24 3.184 18.146 -6.320 1.00 1.50 C ATOM 329 CD PRO A 24 4.528 18.233 -5.641 1.00 1.24 C ATOM 0 HA PRO A 24 2.370 19.897 -4.064 1.00 1.07 H new ATOM 0 HB2 PRO A 24 2.027 17.008 -4.921 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.207 18.426 -5.543 1.00 1.32 H new ATOM 0 HG2 PRO A 24 3.135 17.279 -6.978 1.00 1.50 H new ATOM 0 HG3 PRO A 24 3.001 19.026 -6.937 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.980 17.249 -5.515 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.231 18.836 -6.215 1.00 1.24 H new ATOM 337 N SER A 25 2.450 16.966 -2.590 1.00 0.97 N ATOM 338 CA SER A 25 2.149 16.339 -1.303 1.00 0.92 C ATOM 339 C SER A 25 3.425 16.229 -0.492 1.00 0.78 C ATOM 340 O SER A 25 3.651 15.245 0.213 1.00 0.81 O ATOM 341 CB SER A 25 1.520 14.944 -1.473 1.00 1.12 C ATOM 342 OG SER A 25 0.108 15.026 -1.561 1.00 1.26 O ATOM 0 H SER A 25 2.691 16.316 -3.338 1.00 0.97 H new ATOM 0 HA SER A 25 1.422 16.965 -0.785 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.916 14.471 -2.371 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.798 14.311 -0.630 1.00 1.12 H new ATOM 0 HG SER A 25 -0.266 14.127 -1.670 1.00 1.26 H new ATOM 348 N ILE A 26 4.257 17.258 -0.602 1.00 0.70 N ATOM 349 CA ILE A 26 5.508 17.311 0.091 1.00 0.61 C ATOM 350 C ILE A 26 5.840 18.765 0.441 1.00 0.58 C ATOM 351 O ILE A 26 6.231 19.557 -0.420 1.00 0.73 O ATOM 352 CB ILE A 26 6.614 16.663 -0.760 1.00 0.60 C ATOM 353 CG1 ILE A 26 6.117 15.349 -1.368 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.851 16.441 0.072 1.00 0.74 C ATOM 355 CD1 ILE A 26 7.106 14.697 -2.306 1.00 0.83 C ATOM 0 H ILE A 26 4.068 18.076 -1.181 1.00 0.70 H new ATOM 0 HA ILE A 26 5.437 16.747 1.021 1.00 0.61 H new ATOM 0 HB ILE A 26 6.871 17.337 -1.577 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.882 14.653 -0.563 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.189 15.538 -1.908 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.625 15.982 -0.543 1.00 0.74 H new ATOM 0 HG22 ILE A 26 8.210 17.397 0.453 1.00 0.74 H new ATOM 0 HG23 ILE A 26 7.614 15.783 0.908 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.682 13.772 -2.696 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.324 15.373 -3.133 1.00 0.83 H new ATOM 0 HD13 ILE A 26 8.027 14.475 -1.767 1.00 0.83 H new ATOM 367 N CYS A 27 5.634 19.113 1.705 1.00 0.56 N ATOM 368 CA CYS A 27 5.856 20.473 2.188 1.00 0.56 C ATOM 369 C CYS A 27 6.935 20.488 3.270 1.00 0.55 C ATOM 370 O CYS A 27 6.815 19.784 4.263 1.00 0.59 O ATOM 371 CB CYS A 27 4.547 20.995 2.774 1.00 0.60 C ATOM 372 SG CYS A 27 4.127 22.696 2.304 1.00 0.92 S ATOM 0 H CYS A 27 5.310 18.465 2.423 1.00 0.56 H new ATOM 0 HA CYS A 27 6.186 21.102 1.361 1.00 0.56 H new ATOM 0 HB2 CYS A 27 3.737 20.336 2.461 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.603 20.937 3.861 1.00 0.60 H new ATOM 377 N CYS A 28 8.004 21.263 3.082 1.00 0.56 N ATOM 378 CA CYS A 28 9.079 21.287 4.069 1.00 0.58 C ATOM 379 C CYS A 28 9.754 22.641 4.345 1.00 0.61 C ATOM 380 O CYS A 28 10.368 23.236 3.459 1.00 0.76 O ATOM 381 CB CYS A 28 10.199 20.309 3.680 1.00 0.65 C ATOM 382 SG CYS A 28 9.902 19.306 2.187 1.00 1.28 S ATOM 0 H CYS A 28 8.146 21.869 2.274 1.00 0.56 H new ATOM 0 HA CYS A 28 8.554 21.010 4.983 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.117 20.878 3.534 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.372 19.634 4.518 1.00 0.65 H new ATOM 387 N GLY A 29 9.670 23.108 5.624 1.00 0.62 N ATOM 388 CA GLY A 29 10.330 24.314 6.030 1.00 0.65 C ATOM 389 C GLY A 29 11.498 23.939 6.925 1.00 0.67 C ATOM 390 O GLY A 29 11.852 22.770 7.012 1.00 0.66 O ATOM 0 H GLY A 29 9.145 22.645 6.366 1.00 0.62 H new ATOM 0 HA2 GLY A 29 10.681 24.867 5.159 1.00 0.65 H new ATOM 0 HA3 GLY A 29 9.637 24.965 6.563 1.00 0.65 H new ATOM 394 N ASP A 30 12.115 24.906 7.554 1.00 0.72 N ATOM 395 CA ASP A 30 13.287 24.651 8.384 1.00 0.76 C ATOM 396 C ASP A 30 13.028 23.774 9.608 1.00 0.77 C ATOM 397 O ASP A 30 13.672 22.740 9.789 1.00 0.80 O ATOM 398 CB ASP A 30 13.893 25.980 8.844 1.00 0.84 C ATOM 399 CG ASP A 30 12.899 26.851 9.596 1.00 1.41 C ATOM 400 OD1 ASP A 30 11.703 26.840 9.233 1.00 1.92 O ATOM 401 OD2 ASP A 30 13.317 27.539 10.552 1.00 2.27 O ATOM 0 H ASP A 30 11.831 25.885 7.513 1.00 0.72 H new ATOM 0 HA ASP A 30 13.975 24.092 7.749 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.752 25.780 9.485 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.263 26.525 7.976 1.00 0.84 H new ATOM 406 N GLU A 31 12.137 24.215 10.462 1.00 0.78 N ATOM 407 CA GLU A 31 11.817 23.530 11.714 1.00 0.83 C ATOM 408 C GLU A 31 10.455 22.885 11.658 1.00 0.87 C ATOM 409 O GLU A 31 9.946 22.371 12.654 1.00 1.00 O ATOM 410 CB GLU A 31 11.849 24.498 12.898 1.00 0.90 C ATOM 411 CG GLU A 31 12.305 25.908 12.572 1.00 0.99 C ATOM 412 CD GLU A 31 13.046 26.556 13.724 1.00 1.14 C ATOM 413 OE1 GLU A 31 12.509 26.547 14.851 1.00 1.64 O ATOM 414 OE2 GLU A 31 14.160 27.072 13.498 1.00 1.66 O ATOM 0 H GLU A 31 11.601 25.070 10.315 1.00 0.78 H new ATOM 0 HA GLU A 31 12.576 22.760 11.850 1.00 0.83 H new ATOM 0 HB2 GLU A 31 10.850 24.548 13.332 1.00 0.90 H new ATOM 0 HB3 GLU A 31 12.509 24.088 13.663 1.00 0.90 H new ATOM 0 HG2 GLU A 31 12.952 25.884 11.695 1.00 0.99 H new ATOM 0 HG3 GLU A 31 11.439 26.516 12.313 1.00 0.99 H new ATOM 421 N LEU A 32 9.884 22.934 10.500 1.00 0.82 N ATOM 422 CA LEU A 32 8.632 22.375 10.227 1.00 0.88 C ATOM 423 C LEU A 32 8.915 21.162 9.351 1.00 0.82 C ATOM 424 O LEU A 32 8.047 20.334 9.089 1.00 0.90 O ATOM 425 CB LEU A 32 7.838 23.451 9.532 1.00 0.93 C ATOM 426 CG LEU A 32 6.678 24.033 10.338 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.059 25.198 9.587 1.00 1.24 C ATOM 428 CD2 LEU A 32 5.643 22.973 10.658 1.00 1.37 C ATOM 0 H LEU A 32 10.309 23.389 9.692 1.00 0.82 H new ATOM 0 HA LEU A 32 8.060 22.048 11.095 1.00 0.88 H new ATOM 0 HB2 LEU A 32 8.515 24.262 9.263 1.00 0.93 H new ATOM 0 HB3 LEU A 32 7.443 23.044 8.601 1.00 0.93 H new ATOM 0 HG LEU A 32 7.066 24.400 11.288 1.00 1.15 H new ATOM 0 HD11 LEU A 32 5.233 25.608 10.168 1.00 1.24 H new ATOM 0 HD12 LEU A 32 6.811 25.971 9.431 1.00 1.24 H new ATOM 0 HD13 LEU A 32 5.688 24.853 8.622 1.00 1.24 H new ATOM 0 HD21 LEU A 32 4.831 23.419 11.232 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.247 22.559 9.731 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.106 22.177 11.242 1.00 1.37 H new ATOM 440 N GLY A 33 10.194 21.063 8.940 1.00 0.73 N ATOM 441 CA GLY A 33 10.654 19.959 8.143 1.00 0.71 C ATOM 442 C GLY A 33 9.758 19.689 6.954 1.00 0.67 C ATOM 443 O GLY A 33 9.391 20.616 6.237 1.00 0.65 O ATOM 0 H GLY A 33 10.915 21.750 9.160 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.665 20.165 7.792 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.708 19.065 8.764 1.00 0.71 H new ATOM 447 N CYS A 34 9.391 18.432 6.711 1.00 0.70 N ATOM 448 CA CYS A 34 8.535 18.154 5.573 1.00 0.69 C ATOM 449 C CYS A 34 7.326 17.346 5.905 1.00 0.65 C ATOM 450 O CYS A 34 7.451 16.176 6.263 1.00 0.62 O ATOM 451 CB CYS A 34 9.258 17.390 4.473 1.00 0.73 C ATOM 452 SG CYS A 34 8.680 17.810 2.807 1.00 1.08 S ATOM 0 H CYS A 34 9.663 17.621 7.267 1.00 0.70 H new ATOM 0 HA CYS A 34 8.238 19.149 5.241 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.327 17.594 4.541 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.126 16.320 4.637 1.00 0.73 H new ATOM 457 N PHE A 35 6.145 17.917 5.669 1.00 0.68 N ATOM 458 CA PHE A 35 4.967 17.146 5.843 1.00 0.67 C ATOM 459 C PHE A 35 4.688 16.653 4.456 1.00 0.64 C ATOM 460 O PHE A 35 4.183 17.392 3.609 1.00 0.63 O ATOM 461 CB PHE A 35 3.793 17.988 6.380 1.00 0.69 C ATOM 462 CG PHE A 35 4.193 19.323 6.943 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.581 19.444 8.263 1.00 1.16 C ATOM 464 CD2 PHE A 35 4.194 20.448 6.146 1.00 0.98 C ATOM 465 CE1 PHE A 35 4.960 20.663 8.771 1.00 1.38 C ATOM 466 CE2 PHE A 35 4.577 21.671 6.651 1.00 1.21 C ATOM 467 CZ PHE A 35 4.958 21.782 7.954 1.00 1.26 C ATOM 0 H PHE A 35 6.004 18.881 5.367 1.00 0.68 H new ATOM 0 HA PHE A 35 5.090 16.349 6.576 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.077 18.147 5.574 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.279 17.420 7.155 1.00 0.69 H new ATOM 0 HD1 PHE A 35 4.587 18.573 8.901 1.00 1.16 H new ATOM 0 HD2 PHE A 35 3.891 20.369 5.112 1.00 0.98 H new ATOM 0 HE1 PHE A 35 5.259 20.749 9.805 1.00 1.38 H new ATOM 0 HE2 PHE A 35 4.575 22.543 6.013 1.00 1.21 H new ATOM 0 HZ PHE A 35 5.258 22.741 8.350 1.00 1.26 H new ATOM 477 N VAL A 36 5.014 15.407 4.218 1.00 0.67 N ATOM 478 CA VAL A 36 4.807 14.849 2.928 1.00 0.68 C ATOM 479 C VAL A 36 3.412 14.295 2.881 1.00 0.71 C ATOM 480 O VAL A 36 3.114 13.176 3.318 1.00 0.74 O ATOM 481 CB VAL A 36 5.898 13.818 2.540 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.895 13.597 1.042 1.00 0.75 C ATOM 483 CG2 VAL A 36 7.287 14.305 2.994 1.00 0.76 C ATOM 0 H VAL A 36 5.421 14.772 4.904 1.00 0.67 H new ATOM 0 HA VAL A 36 4.903 15.626 2.169 1.00 0.68 H new ATOM 0 HB VAL A 36 5.677 12.876 3.041 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.665 12.871 0.780 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.920 13.220 0.732 1.00 0.75 H new ATOM 0 HG13 VAL A 36 6.098 14.540 0.535 1.00 0.75 H new ATOM 0 HG21 VAL A 36 8.040 13.569 2.713 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.514 15.257 2.514 1.00 0.76 H new ATOM 0 HG23 VAL A 36 7.291 14.434 4.076 1.00 0.76 H new ATOM 493 N GLY A 37 2.547 15.167 2.392 1.00 0.71 N ATOM 494 CA GLY A 37 1.137 14.856 2.282 1.00 0.76 C ATOM 495 C GLY A 37 0.304 15.319 3.464 1.00 0.72 C ATOM 496 O GLY A 37 -0.048 14.520 4.330 1.00 0.81 O ATOM 0 H GLY A 37 2.800 16.099 2.064 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.745 15.314 1.374 1.00 0.76 H new ATOM 0 HA3 GLY A 37 1.022 13.778 2.171 1.00 0.76 H new ATOM 500 N THR A 38 -0.032 16.605 3.474 1.00 0.68 N ATOM 501 CA THR A 38 -0.849 17.196 4.534 1.00 0.68 C ATOM 502 C THR A 38 -1.485 18.489 4.030 1.00 0.72 C ATOM 503 O THR A 38 -1.023 19.048 3.037 1.00 0.77 O ATOM 504 CB THR A 38 0.013 17.490 5.769 1.00 0.72 C ATOM 505 OG1 THR A 38 1.005 18.464 5.479 1.00 0.77 O ATOM 506 CG2 THR A 38 0.723 16.271 6.323 1.00 0.76 C ATOM 0 H THR A 38 0.252 17.267 2.752 1.00 0.68 H new ATOM 0 HA THR A 38 -1.632 16.490 4.812 1.00 0.68 H new ATOM 0 HB THR A 38 -0.692 17.851 6.518 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.261 18.399 4.535 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.312 16.558 7.194 1.00 0.76 H new ATOM 0 HG22 THR A 38 -0.013 15.522 6.613 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.382 15.856 5.560 1.00 0.76 H new ATOM 514 N ALA A 39 -2.518 19.000 4.708 1.00 0.77 N ATOM 515 CA ALA A 39 -3.149 20.249 4.293 1.00 0.86 C ATOM 516 C ALA A 39 -2.152 21.406 4.310 1.00 0.82 C ATOM 517 O ALA A 39 -2.378 22.444 3.689 1.00 0.86 O ATOM 518 CB ALA A 39 -4.320 20.560 5.218 1.00 1.02 C ATOM 0 H ALA A 39 -2.929 18.571 5.537 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.508 20.129 3.271 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.791 21.493 4.908 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.049 19.751 5.167 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.959 20.659 6.242 1.00 1.02 H new ATOM 524 N GLU A 40 -1.025 21.192 4.979 1.00 0.78 N ATOM 525 CA GLU A 40 0.039 22.184 5.042 1.00 0.79 C ATOM 526 C GLU A 40 0.690 22.320 3.670 1.00 0.74 C ATOM 527 O GLU A 40 1.431 23.265 3.409 1.00 0.79 O ATOM 528 CB GLU A 40 1.076 21.770 6.087 1.00 0.82 C ATOM 529 CG GLU A 40 0.507 21.651 7.497 1.00 1.25 C ATOM 530 CD GLU A 40 1.578 21.393 8.540 1.00 1.55 C ATOM 531 OE1 GLU A 40 2.205 22.370 9.001 1.00 1.91 O ATOM 532 OE2 GLU A 40 1.788 20.215 8.894 1.00 2.32 O ATOM 0 H GLU A 40 -0.825 20.332 5.489 1.00 0.78 H new ATOM 0 HA GLU A 40 -0.379 23.148 5.332 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.510 20.813 5.797 1.00 0.82 H new ATOM 0 HB3 GLU A 40 1.886 22.499 6.091 1.00 0.82 H new ATOM 0 HG2 GLU A 40 -0.026 22.568 7.748 1.00 1.25 H new ATOM 0 HG3 GLU A 40 -0.222 20.841 7.523 1.00 1.25 H new ATOM 539 N ALA A 41 0.393 21.357 2.801 1.00 0.70 N ATOM 540 CA ALA A 41 0.923 21.328 1.458 1.00 0.71 C ATOM 541 C ALA A 41 -0.061 21.941 0.465 1.00 0.78 C ATOM 542 O ALA A 41 0.329 22.381 -0.603 1.00 0.87 O ATOM 543 CB ALA A 41 1.259 19.893 1.068 1.00 0.77 C ATOM 0 H ALA A 41 -0.226 20.576 3.018 1.00 0.70 H new ATOM 0 HA ALA A 41 1.834 21.926 1.431 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.659 19.876 0.054 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.002 19.493 1.758 1.00 0.77 H new ATOM 0 HB3 ALA A 41 0.357 19.283 1.113 1.00 0.77 H new ATOM 549 N LEU A 42 -1.345 21.938 0.812 1.00 0.81 N ATOM 550 CA LEU A 42 -2.382 22.469 -0.084 1.00 0.94 C ATOM 551 C LEU A 42 -1.960 23.768 -0.795 1.00 1.05 C ATOM 552 O LEU A 42 -2.338 23.989 -1.943 1.00 1.23 O ATOM 553 CB LEU A 42 -3.698 22.660 0.669 1.00 0.98 C ATOM 554 CG LEU A 42 -4.657 21.469 0.591 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.646 21.497 1.748 1.00 1.11 C ATOM 556 CD2 LEU A 42 -5.389 21.465 -0.743 1.00 1.16 C ATOM 0 H LEU A 42 -1.696 21.578 1.699 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.527 21.726 -0.868 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.476 22.862 1.717 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -4.202 23.542 0.274 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.074 20.551 0.667 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.318 20.642 1.673 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -5.103 21.450 2.692 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -6.226 22.419 1.708 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -6.067 20.612 -0.783 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.960 22.388 -0.848 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -4.665 21.392 -1.555 1.00 1.16 H new ATOM 568 N ARG A 43 -1.157 24.604 -0.137 1.00 1.04 N ATOM 569 CA ARG A 43 -0.667 25.853 -0.754 1.00 1.23 C ATOM 570 C ARG A 43 0.364 25.517 -1.852 1.00 1.24 C ATOM 571 O ARG A 43 0.728 26.340 -2.689 1.00 1.46 O ATOM 572 CB ARG A 43 -0.028 26.730 0.330 1.00 1.32 C ATOM 573 CG ARG A 43 -0.849 27.956 0.696 1.00 1.34 C ATOM 574 CD ARG A 43 -1.052 28.873 -0.498 1.00 1.50 C ATOM 575 NE ARG A 43 0.216 29.332 -1.060 1.00 1.88 N ATOM 576 CZ ARG A 43 0.801 30.485 -0.744 1.00 2.20 C ATOM 577 NH1 ARG A 43 0.242 31.308 0.137 1.00 2.39 N ATOM 578 NH2 ARG A 43 1.953 30.819 -1.308 1.00 2.92 N ATOM 0 H ARG A 43 -0.830 24.448 0.816 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.496 26.395 -1.209 1.00 1.23 H new ATOM 0 HB2 ARG A 43 0.127 26.128 1.226 1.00 1.32 H new ATOM 0 HB3 ARG A 43 0.956 27.053 -0.011 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -1.819 27.642 1.083 1.00 1.34 H new ATOM 0 HG3 ARG A 43 -0.349 28.504 1.495 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -1.619 28.347 -1.266 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -1.647 29.735 -0.196 1.00 1.50 H new ATOM 0 HE ARG A 43 0.683 28.730 -1.738 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -0.643 31.058 0.578 1.00 2.39 H new ATOM 0 HH12 ARG A 43 0.698 32.189 0.372 1.00 2.39 H new ATOM 0 HH21 ARG A 43 2.391 30.193 -1.984 1.00 2.92 H new ATOM 0 HH22 ARG A 43 2.402 31.702 -1.066 1.00 2.92 H new ATOM 592 N CYS A 44 0.804 24.273 -1.774 1.00 1.08 N ATOM 593 CA CYS A 44 1.809 23.745 -2.704 1.00 1.15 C ATOM 594 C CYS A 44 1.276 23.760 -4.146 1.00 1.41 C ATOM 595 O CYS A 44 2.049 23.860 -5.101 1.00 1.57 O ATOM 596 CB CYS A 44 2.317 22.365 -2.284 1.00 1.04 C ATOM 597 SG CYS A 44 3.869 22.395 -1.307 1.00 1.28 S ATOM 0 H CYS A 44 0.485 23.601 -1.076 1.00 1.08 H new ATOM 0 HA CYS A 44 2.676 24.405 -2.667 1.00 1.15 H new ATOM 0 HB2 CYS A 44 1.543 21.869 -1.699 1.00 1.04 H new ATOM 0 HB3 CYS A 44 2.476 21.762 -3.178 1.00 1.04 H new ATOM 602 N GLN A 45 -0.044 23.668 -4.303 1.00 1.55 N ATOM 603 CA GLN A 45 -0.672 23.689 -5.634 1.00 1.86 C ATOM 604 C GLN A 45 -0.169 24.865 -6.482 1.00 2.09 C ATOM 605 O GLN A 45 0.098 24.717 -7.681 1.00 2.35 O ATOM 606 CB GLN A 45 -2.198 23.776 -5.505 1.00 1.97 C ATOM 607 CG GLN A 45 -2.944 23.376 -6.771 1.00 2.40 C ATOM 608 CD GLN A 45 -4.319 22.803 -6.482 1.00 2.73 C ATOM 609 OE1 GLN A 45 -4.547 21.603 -6.631 1.00 3.31 O ATOM 610 NE2 GLN A 45 -5.243 23.663 -6.067 1.00 3.02 N ATOM 0 H GLN A 45 -0.703 23.578 -3.530 1.00 1.55 H new ATOM 0 HA GLN A 45 -0.396 22.761 -6.134 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.521 23.134 -4.685 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.474 24.796 -5.239 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -3.046 24.247 -7.418 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.355 22.640 -7.318 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -5.009 24.650 -5.958 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -6.186 23.336 -5.858 1.00 3.02 H new ATOM 619 N GLU A 46 -0.022 26.033 -5.863 1.00 2.07 N ATOM 620 CA GLU A 46 0.445 27.208 -6.590 1.00 2.35 C ATOM 621 C GLU A 46 1.967 27.234 -6.628 1.00 2.34 C ATOM 622 O GLU A 46 2.567 28.174 -7.144 1.00 2.50 O ATOM 623 CB GLU A 46 -0.077 28.492 -5.932 1.00 2.41 C ATOM 624 CG GLU A 46 -1.180 29.185 -6.717 1.00 2.80 C ATOM 625 CD GLU A 46 -0.651 30.288 -7.617 1.00 3.19 C ATOM 626 OE1 GLU A 46 -0.234 31.340 -7.086 1.00 3.69 O ATOM 627 OE2 GLU A 46 -0.657 30.100 -8.852 1.00 3.53 O ATOM 0 H GLU A 46 -0.216 26.190 -4.874 1.00 2.07 H new ATOM 0 HA GLU A 46 0.062 27.153 -7.609 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -0.450 28.252 -4.936 1.00 2.41 H new ATOM 0 HB3 GLU A 46 0.754 29.186 -5.803 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -1.708 28.448 -7.323 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.907 29.605 -6.022 1.00 2.80 H new ATOM 634 N GLU A 47 2.583 26.162 -6.133 1.00 2.22 N ATOM 635 CA GLU A 47 4.026 26.040 -6.160 1.00 2.31 C ATOM 636 C GLU A 47 4.463 25.541 -7.537 1.00 2.34 C ATOM 637 O GLU A 47 5.653 25.357 -7.796 1.00 2.42 O ATOM 638 CB GLU A 47 4.501 25.073 -5.072 1.00 2.37 C ATOM 639 CG GLU A 47 5.977 25.212 -4.732 1.00 2.96 C ATOM 640 CD GLU A 47 6.800 24.030 -5.210 1.00 3.45 C ATOM 641 OE1 GLU A 47 6.597 22.914 -4.685 1.00 3.99 O ATOM 642 OE2 GLU A 47 7.647 24.222 -6.106 1.00 3.68 O ATOM 0 H GLU A 47 2.099 25.370 -5.710 1.00 2.22 H new ATOM 0 HA GLU A 47 4.473 27.016 -5.968 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.912 25.238 -4.170 1.00 2.37 H new ATOM 0 HB3 GLU A 47 4.307 24.051 -5.397 1.00 2.37 H new ATOM 0 HG2 GLU A 47 6.365 26.126 -5.182 1.00 2.96 H new ATOM 0 HG3 GLU A 47 6.089 25.315 -3.653 1.00 2.96 H new ATOM 769 N SER A 56 17.415 26.266 0.124 1.00 2.28 N ATOM 770 CA SER A 56 17.207 24.855 0.518 1.00 2.07 C ATOM 771 C SER A 56 18.516 24.063 0.422 1.00 1.82 C ATOM 772 O SER A 56 19.322 24.293 -0.481 1.00 2.22 O ATOM 773 CB SER A 56 16.091 24.178 -0.293 1.00 2.60 C ATOM 774 OG SER A 56 16.577 23.616 -1.503 1.00 3.12 O ATOM 0 HA SER A 56 16.881 24.859 1.558 1.00 2.07 H new ATOM 0 HB2 SER A 56 15.629 23.396 0.310 1.00 2.60 H new ATOM 0 HB3 SER A 56 15.314 24.908 -0.519 1.00 2.60 H new ATOM 0 HG SER A 56 15.837 23.194 -1.988 1.00 3.12 H new ATOM 780 N GLY A 57 18.719 23.133 1.361 1.00 1.58 N ATOM 781 CA GLY A 57 19.923 22.346 1.386 1.00 1.86 C ATOM 782 C GLY A 57 20.100 21.540 0.144 1.00 1.68 C ATOM 783 O GLY A 57 19.319 20.632 -0.138 1.00 2.10 O ATOM 0 H GLY A 57 18.057 22.918 2.106 1.00 1.58 H new ATOM 0 HA2 GLY A 57 20.782 23.005 1.514 1.00 1.86 H new ATOM 0 HA3 GLY A 57 19.901 21.680 2.248 1.00 1.86 H new ATOM 787 N GLN A 58 21.137 21.860 -0.597 1.00 1.37 N ATOM 788 CA GLN A 58 21.422 21.145 -1.804 1.00 1.46 C ATOM 789 C GLN A 58 21.974 19.791 -1.432 1.00 1.08 C ATOM 790 O GLN A 58 23.170 19.537 -1.529 1.00 1.00 O ATOM 791 CB GLN A 58 22.420 21.914 -2.669 1.00 1.97 C ATOM 792 CG GLN A 58 21.936 23.296 -3.080 1.00 2.80 C ATOM 793 CD GLN A 58 22.928 24.023 -3.969 1.00 3.61 C ATOM 794 OE1 GLN A 58 22.711 24.165 -5.173 1.00 3.96 O ATOM 795 NE2 GLN A 58 24.023 24.488 -3.380 1.00 4.36 N ATOM 0 H GLN A 58 21.792 22.611 -0.379 1.00 1.37 H new ATOM 0 HA GLN A 58 20.509 21.028 -2.387 1.00 1.46 H new ATOM 0 HB2 GLN A 58 23.358 22.015 -2.123 1.00 1.97 H new ATOM 0 HB3 GLN A 58 22.634 21.332 -3.566 1.00 1.97 H new ATOM 0 HG2 GLN A 58 20.985 23.202 -3.604 1.00 2.80 H new ATOM 0 HG3 GLN A 58 21.750 23.892 -2.187 1.00 2.80 H new ATOM 0 HE21 GLN A 58 24.162 24.348 -2.379 1.00 4.36 H new ATOM 0 HE22 GLN A 58 24.725 24.985 -3.928 1.00 4.36 H new ATOM 804 N LYS A 59 21.081 18.901 -1.075 1.00 1.17 N ATOM 805 CA LYS A 59 21.472 17.556 -0.676 1.00 1.13 C ATOM 806 C LYS A 59 20.522 16.627 -1.364 1.00 0.95 C ATOM 807 O LYS A 59 19.592 16.084 -0.771 1.00 0.88 O ATOM 808 CB LYS A 59 21.315 17.360 0.860 1.00 1.54 C ATOM 809 CG LYS A 59 22.606 17.465 1.650 1.00 1.90 C ATOM 810 CD LYS A 59 23.636 16.461 1.162 1.00 2.17 C ATOM 811 CE LYS A 59 23.303 15.047 1.611 1.00 2.82 C ATOM 812 NZ LYS A 59 24.111 14.030 0.882 1.00 3.55 N ATOM 0 H LYS A 59 20.076 19.076 -1.050 1.00 1.17 H new ATOM 0 HA LYS A 59 22.514 17.373 -0.939 1.00 1.13 H new ATOM 0 HB2 LYS A 59 20.613 18.104 1.237 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.872 16.381 1.044 1.00 1.54 H new ATOM 0 HG2 LYS A 59 23.008 18.474 1.561 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.402 17.295 2.707 1.00 1.90 H new ATOM 0 HD2 LYS A 59 23.689 16.494 0.074 1.00 2.17 H new ATOM 0 HD3 LYS A 59 24.621 16.739 1.537 1.00 2.17 H new ATOM 0 HE2 LYS A 59 23.483 14.954 2.682 1.00 2.82 H new ATOM 0 HE3 LYS A 59 22.243 14.854 1.448 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 23.855 13.079 1.216 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 23.921 14.102 -0.138 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 25.122 14.198 1.058 1.00 3.55 H new ATOM 826 N PRO A 60 20.756 16.493 -2.709 1.00 1.06 N ATOM 827 CA PRO A 60 19.931 15.681 -3.585 1.00 1.15 C ATOM 828 C PRO A 60 20.144 14.175 -3.478 1.00 1.10 C ATOM 829 O PRO A 60 20.768 13.545 -4.330 1.00 1.23 O ATOM 830 CB PRO A 60 20.280 16.164 -4.985 1.00 1.48 C ATOM 831 CG PRO A 60 21.682 16.643 -4.874 1.00 1.54 C ATOM 832 CD PRO A 60 21.829 17.183 -3.472 1.00 1.30 C ATOM 0 HA PRO A 60 18.884 15.805 -3.310 1.00 1.15 H new ATOM 0 HB2 PRO A 60 20.192 15.360 -5.716 1.00 1.48 H new ATOM 0 HB3 PRO A 60 19.612 16.963 -5.307 1.00 1.48 H new ATOM 0 HG2 PRO A 60 22.387 15.831 -5.055 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.890 17.416 -5.613 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.815 16.965 -3.061 1.00 1.30 H new ATOM 0 HD3 PRO A 60 21.705 18.266 -3.446 1.00 1.30 H new ATOM 840 N CYS A 61 19.554 13.623 -2.445 1.00 1.08 N ATOM 841 CA CYS A 61 19.536 12.189 -2.187 1.00 1.13 C ATOM 842 C CYS A 61 18.173 11.722 -2.649 1.00 1.36 C ATOM 843 O CYS A 61 17.478 12.497 -3.300 1.00 1.54 O ATOM 844 CB CYS A 61 19.713 11.884 -0.690 1.00 1.30 C ATOM 845 SG CYS A 61 18.165 11.962 0.290 1.00 1.59 S ATOM 0 H CYS A 61 19.058 14.166 -1.738 1.00 1.08 H new ATOM 0 HA CYS A 61 20.352 11.685 -2.705 1.00 1.13 H new ATOM 0 HB2 CYS A 61 20.146 10.889 -0.583 1.00 1.30 H new ATOM 0 HB3 CYS A 61 20.430 12.590 -0.271 1.00 1.30 H new ATOM 850 N GLY A 62 17.789 10.467 -2.486 1.00 1.60 N ATOM 851 CA GLY A 62 16.492 10.080 -2.987 1.00 1.92 C ATOM 852 C GLY A 62 16.404 9.995 -4.484 1.00 2.10 C ATOM 853 O GLY A 62 17.408 9.969 -5.192 1.00 2.43 O ATOM 0 H GLY A 62 18.331 9.732 -2.032 1.00 1.60 H new ATOM 0 HA2 GLY A 62 16.227 9.111 -2.564 1.00 1.92 H new ATOM 0 HA3 GLY A 62 15.751 10.796 -2.632 1.00 1.92 H new ATOM 857 N SER A 63 15.170 9.888 -4.942 1.00 2.43 N ATOM 858 CA SER A 63 14.830 9.737 -6.359 1.00 2.98 C ATOM 859 C SER A 63 14.735 11.091 -7.024 1.00 2.74 C ATOM 860 O SER A 63 13.854 11.357 -7.839 1.00 3.32 O ATOM 861 CB SER A 63 13.497 8.997 -6.500 1.00 3.86 C ATOM 862 OG SER A 63 13.531 8.077 -7.576 1.00 4.11 O ATOM 0 H SER A 63 14.353 9.903 -4.332 1.00 2.43 H new ATOM 0 HA SER A 63 15.616 9.160 -6.846 1.00 2.98 H new ATOM 0 HB2 SER A 63 13.272 8.468 -5.574 1.00 3.86 H new ATOM 0 HB3 SER A 63 12.694 9.717 -6.659 1.00 3.86 H new ATOM 0 HG SER A 63 12.668 7.618 -7.641 1.00 4.11 H new ATOM 868 N GLY A 64 15.693 11.954 -6.640 1.00 2.15 N ATOM 869 CA GLY A 64 15.783 13.299 -7.152 1.00 2.11 C ATOM 870 C GLY A 64 15.568 14.416 -6.108 1.00 1.92 C ATOM 871 O GLY A 64 15.426 15.576 -6.503 1.00 2.21 O ATOM 0 H GLY A 64 16.420 11.720 -5.964 1.00 2.15 H new ATOM 0 HA2 GLY A 64 16.765 13.433 -7.606 1.00 2.11 H new ATOM 0 HA3 GLY A 64 15.045 13.419 -7.946 1.00 2.11 H new ATOM 875 N GLY A 65 15.508 14.125 -4.805 1.00 1.62 N ATOM 876 CA GLY A 65 15.279 15.215 -3.858 1.00 1.62 C ATOM 877 C GLY A 65 16.492 15.693 -3.080 1.00 1.43 C ATOM 878 O GLY A 65 17.313 14.898 -2.622 1.00 1.62 O ATOM 0 H GLY A 65 15.609 13.195 -4.399 1.00 1.62 H new ATOM 0 HA2 GLY A 65 14.867 16.063 -4.405 1.00 1.62 H new ATOM 0 HA3 GLY A 65 14.519 14.895 -3.145 1.00 1.62 H new ATOM 882 N ARG A 66 16.547 17.023 -2.918 1.00 1.17 N ATOM 883 CA ARG A 66 17.588 17.723 -2.169 1.00 1.03 C ATOM 884 C ARG A 66 17.056 18.114 -0.791 1.00 0.94 C ATOM 885 O ARG A 66 15.843 18.199 -0.618 1.00 1.04 O ATOM 886 CB ARG A 66 18.133 18.953 -2.905 1.00 1.10 C ATOM 887 CG ARG A 66 17.067 19.769 -3.608 1.00 1.26 C ATOM 888 CD ARG A 66 17.394 19.966 -5.078 1.00 1.41 C ATOM 889 NE ARG A 66 17.433 18.696 -5.801 1.00 1.78 N ATOM 890 CZ ARG A 66 17.341 18.590 -7.126 1.00 2.30 C ATOM 891 NH1 ARG A 66 17.210 19.672 -7.882 1.00 2.55 N ATOM 892 NH2 ARG A 66 17.381 17.393 -7.695 1.00 3.02 N ATOM 0 H ARG A 66 15.850 17.652 -3.316 1.00 1.17 H new ATOM 0 HA ARG A 66 18.426 17.035 -2.061 1.00 1.03 H new ATOM 0 HB2 ARG A 66 18.653 19.591 -2.191 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.871 18.628 -3.638 1.00 1.10 H new ATOM 0 HG2 ARG A 66 16.103 19.269 -3.513 1.00 1.26 H new ATOM 0 HG3 ARG A 66 16.972 20.740 -3.122 1.00 1.26 H new ATOM 0 HD2 ARG A 66 16.649 20.620 -5.532 1.00 1.41 H new ATOM 0 HD3 ARG A 66 18.357 20.467 -5.172 1.00 1.41 H new ATOM 0 HE ARG A 66 17.537 17.839 -5.258 1.00 1.78 H new ATOM 0 HH11 ARG A 66 17.179 20.595 -7.450 1.00 2.55 H new ATOM 0 HH12 ARG A 66 17.140 19.581 -8.896 1.00 2.55 H new ATOM 0 HH21 ARG A 66 17.482 16.557 -7.119 1.00 3.02 H new ATOM 0 HH22 ARG A 66 17.311 17.308 -8.709 1.00 3.02 H new ATOM 906 N CYS A 67 17.926 18.324 0.216 1.00 0.87 N ATOM 907 CA CYS A 67 17.440 18.673 1.529 1.00 0.87 C ATOM 908 C CYS A 67 16.505 19.844 1.404 1.00 0.88 C ATOM 909 O CYS A 67 16.937 20.984 1.236 1.00 0.93 O ATOM 910 CB CYS A 67 18.611 19.062 2.446 1.00 0.93 C ATOM 911 SG CYS A 67 19.229 17.721 3.516 1.00 1.52 S ATOM 0 H CYS A 67 18.940 18.256 0.132 1.00 0.87 H new ATOM 0 HA CYS A 67 16.923 17.816 1.959 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.433 19.421 1.828 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.298 19.895 3.076 1.00 0.93 H new ATOM 916 N ALA A 68 15.227 19.576 1.550 1.00 0.91 N ATOM 917 CA ALA A 68 14.266 20.644 1.498 1.00 0.98 C ATOM 918 C ALA A 68 14.318 21.325 2.839 1.00 0.98 C ATOM 919 O ALA A 68 13.980 22.499 2.984 1.00 1.07 O ATOM 920 CB ALA A 68 12.872 20.123 1.179 1.00 0.98 C ATOM 0 H ALA A 68 14.838 18.645 1.703 1.00 0.91 H new ATOM 0 HA ALA A 68 14.503 21.348 0.700 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.170 20.957 1.147 1.00 0.98 H new ATOM 0 HB2 ALA A 68 12.884 19.622 0.211 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.562 19.417 1.950 1.00 0.98 H new ATOM 926 N ALA A 69 14.659 20.510 3.834 1.00 0.92 N ATOM 927 CA ALA A 69 14.703 20.925 5.226 1.00 0.96 C ATOM 928 C ALA A 69 15.540 19.926 6.045 1.00 0.92 C ATOM 929 O ALA A 69 15.423 18.724 5.848 1.00 0.87 O ATOM 930 CB ALA A 69 13.287 20.958 5.772 1.00 1.00 C ATOM 0 H ALA A 69 14.915 19.533 3.691 1.00 0.92 H new ATOM 0 HA ALA A 69 15.157 21.913 5.298 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.307 21.268 6.817 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.691 21.665 5.195 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.845 19.965 5.697 1.00 1.00 H new ATOM 936 N ALA A 70 16.359 20.437 6.960 1.00 0.98 N ATOM 937 CA ALA A 70 17.225 19.630 7.852 1.00 1.00 C ATOM 938 C ALA A 70 17.339 18.155 7.437 1.00 1.04 C ATOM 939 O ALA A 70 17.376 17.845 6.247 1.00 1.24 O ATOM 940 CB ALA A 70 16.732 19.771 9.288 1.00 1.15 C ATOM 0 H ALA A 70 16.450 21.441 7.115 1.00 0.98 H new ATOM 0 HA ALA A 70 18.238 20.023 7.767 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.365 19.180 9.950 1.00 1.15 H new ATOM 0 HB2 ALA A 70 16.774 20.819 9.586 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.704 19.416 9.356 1.00 1.15 H new ATOM 946 N GLY A 71 17.398 17.239 8.410 1.00 1.15 N ATOM 947 CA GLY A 71 17.486 15.825 8.054 1.00 1.27 C ATOM 948 C GLY A 71 16.146 15.404 7.554 1.00 1.21 C ATOM 949 O GLY A 71 15.650 14.346 7.945 1.00 1.28 O ATOM 0 H GLY A 71 17.387 17.441 9.410 1.00 1.15 H new ATOM 0 HA2 GLY A 71 18.247 15.669 7.289 1.00 1.27 H new ATOM 0 HA3 GLY A 71 17.777 15.229 8.919 1.00 1.27 H new ATOM 953 N ILE A 72 15.737 15.975 6.427 1.00 1.12 N ATOM 954 CA ILE A 72 14.595 15.478 5.676 1.00 1.08 C ATOM 955 C ILE A 72 14.863 15.832 4.207 1.00 1.03 C ATOM 956 O ILE A 72 14.674 16.981 3.768 1.00 1.36 O ATOM 957 CB ILE A 72 13.253 15.974 6.207 1.00 1.52 C ATOM 958 CG1 ILE A 72 13.088 17.437 5.928 1.00 1.09 C ATOM 959 CG2 ILE A 72 13.119 15.672 7.690 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.176 17.651 4.774 1.00 0.92 C ATOM 0 H ILE A 72 16.186 16.791 6.011 1.00 1.12 H new ATOM 0 HA ILE A 72 14.498 14.398 5.788 1.00 1.08 H new ATOM 0 HB ILE A 72 12.454 15.443 5.689 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.690 17.938 6.810 1.00 1.09 H new ATOM 0 HG13 ILE A 72 14.060 17.884 5.718 1.00 1.09 H new ATOM 0 HG21 ILE A 72 12.156 16.034 8.049 1.00 2.27 H new ATOM 0 HG22 ILE A 72 13.185 14.596 7.850 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.920 16.170 8.237 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.069 18.720 4.588 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.590 17.168 3.889 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.199 17.223 4.998 1.00 0.92 H new ATOM 972 N CYS A 73 15.381 14.864 3.480 1.00 0.82 N ATOM 973 CA CYS A 73 15.777 15.050 2.093 1.00 1.07 C ATOM 974 C CYS A 73 14.674 14.611 1.133 1.00 1.08 C ATOM 975 O CYS A 73 14.465 13.415 0.924 1.00 1.21 O ATOM 976 CB CYS A 73 17.064 14.243 1.896 1.00 1.19 C ATOM 977 SG CYS A 73 17.549 13.897 0.179 1.00 1.98 S ATOM 0 H CYS A 73 15.541 13.921 3.833 1.00 0.82 H new ATOM 0 HA CYS A 73 15.950 16.104 1.874 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.880 14.779 2.380 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.954 13.292 2.418 1.00 1.19 H new ATOM 982 N CYS A 74 13.956 15.584 0.561 1.00 0.98 N ATOM 983 CA CYS A 74 12.867 15.267 -0.354 1.00 0.99 C ATOM 984 C CYS A 74 12.942 16.030 -1.671 1.00 1.15 C ATOM 985 O CYS A 74 13.801 16.893 -1.878 1.00 1.33 O ATOM 986 CB CYS A 74 11.493 15.528 0.283 1.00 1.13 C ATOM 987 SG CYS A 74 11.521 15.877 2.071 1.00 1.32 S ATOM 0 H CYS A 74 14.110 16.580 0.715 1.00 0.98 H new ATOM 0 HA CYS A 74 12.984 14.204 -0.567 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.027 16.371 -0.228 1.00 1.13 H new ATOM 0 HB3 CYS A 74 10.858 14.659 0.108 1.00 1.13 H new ATOM 992 N SER A 75 11.995 15.685 -2.545 1.00 1.14 N ATOM 993 CA SER A 75 11.837 16.289 -3.867 1.00 1.36 C ATOM 994 C SER A 75 10.350 16.512 -4.123 1.00 1.28 C ATOM 995 O SER A 75 9.529 16.185 -3.268 1.00 1.10 O ATOM 996 CB SER A 75 12.432 15.377 -4.944 1.00 1.46 C ATOM 997 OG SER A 75 11.905 14.069 -4.863 1.00 1.99 O ATOM 0 H SER A 75 11.302 14.963 -2.348 1.00 1.14 H new ATOM 0 HA SER A 75 12.365 17.242 -3.904 1.00 1.36 H new ATOM 0 HB2 SER A 75 12.225 15.793 -5.930 1.00 1.46 H new ATOM 0 HB3 SER A 75 13.516 15.341 -4.834 1.00 1.46 H new ATOM 0 HG SER A 75 12.303 13.512 -5.564 1.00 1.99 H new ATOM 1003 N PRO A 76 9.953 17.048 -5.291 1.00 1.46 N ATOM 1004 CA PRO A 76 8.540 17.259 -5.591 1.00 1.42 C ATOM 1005 C PRO A 76 7.854 15.957 -6.002 1.00 1.18 C ATOM 1006 O PRO A 76 6.905 15.958 -6.784 1.00 1.22 O ATOM 1007 CB PRO A 76 8.574 18.242 -6.758 1.00 1.74 C ATOM 1008 CG PRO A 76 9.850 17.938 -7.462 1.00 1.86 C ATOM 1009 CD PRO A 76 10.820 17.474 -6.407 1.00 1.77 C ATOM 0 HA PRO A 76 7.978 17.625 -4.732 1.00 1.42 H new ATOM 0 HB2 PRO A 76 7.715 18.107 -7.416 1.00 1.74 H new ATOM 0 HB3 PRO A 76 8.549 19.274 -6.409 1.00 1.74 H new ATOM 0 HG2 PRO A 76 9.702 17.167 -8.219 1.00 1.86 H new ATOM 0 HG3 PRO A 76 10.229 18.821 -7.976 1.00 1.86 H new ATOM 0 HD2 PRO A 76 11.440 16.653 -6.767 1.00 1.77 H new ATOM 0 HD3 PRO A 76 11.495 18.275 -6.105 1.00 1.77 H new ATOM 1017 N ASP A 77 8.353 14.849 -5.457 1.00 0.99 N ATOM 1018 CA ASP A 77 7.814 13.527 -5.739 1.00 0.91 C ATOM 1019 C ASP A 77 7.890 12.631 -4.499 1.00 0.82 C ATOM 1020 O ASP A 77 7.016 11.790 -4.287 1.00 0.90 O ATOM 1021 CB ASP A 77 8.580 12.881 -6.898 1.00 1.16 C ATOM 1022 CG ASP A 77 7.838 12.989 -8.216 1.00 1.92 C ATOM 1023 OD1 ASP A 77 6.860 12.237 -8.409 1.00 2.50 O ATOM 1024 OD2 ASP A 77 8.235 13.825 -9.054 1.00 2.65 O ATOM 0 H ASP A 77 9.141 14.846 -4.809 1.00 0.99 H new ATOM 0 HA ASP A 77 6.767 13.639 -6.020 1.00 0.91 H new ATOM 0 HB2 ASP A 77 9.556 13.357 -6.994 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.759 11.830 -6.670 1.00 1.16 H new ATOM 1029 N GLY A 78 8.941 12.817 -3.690 1.00 0.88 N ATOM 1030 CA GLY A 78 9.103 12.020 -2.489 1.00 0.87 C ATOM 1031 C GLY A 78 10.009 12.672 -1.458 1.00 0.86 C ATOM 1032 O GLY A 78 10.415 13.820 -1.620 1.00 0.99 O ATOM 0 H GLY A 78 9.677 13.505 -3.850 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.124 11.843 -2.043 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.512 11.046 -2.759 1.00 0.87 H new ATOM 1036 N CYS A 79 10.332 11.918 -0.403 1.00 0.79 N ATOM 1037 CA CYS A 79 11.200 12.400 0.675 1.00 0.80 C ATOM 1038 C CYS A 79 12.008 11.252 1.269 1.00 0.78 C ATOM 1039 O CYS A 79 11.639 10.093 1.114 1.00 0.89 O ATOM 1040 CB CYS A 79 10.363 13.074 1.768 1.00 0.94 C ATOM 1041 SG CYS A 79 11.341 14.053 2.952 1.00 1.34 S ATOM 0 H CYS A 79 10.001 10.962 -0.273 1.00 0.79 H new ATOM 0 HA CYS A 79 11.892 13.131 0.257 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.625 13.724 1.297 1.00 0.94 H new ATOM 0 HB3 CYS A 79 9.812 12.308 2.313 1.00 0.94 H new ATOM 1046 N HIS A 80 13.114 11.558 1.959 1.00 0.71 N ATOM 1047 CA HIS A 80 13.929 10.494 2.545 1.00 0.76 C ATOM 1048 C HIS A 80 14.726 10.992 3.745 1.00 0.70 C ATOM 1049 O HIS A 80 15.172 12.139 3.774 1.00 0.67 O ATOM 1050 CB HIS A 80 14.885 9.944 1.483 1.00 0.87 C ATOM 1051 CG HIS A 80 15.253 8.506 1.675 1.00 0.99 C ATOM 1052 ND1 HIS A 80 15.869 7.878 2.702 1.00 1.64 N flip ATOM 1053 CD2 HIS A 80 14.995 7.533 0.733 1.00 1.76 C flip ATOM 1054 CE1 HIS A 80 15.972 6.551 2.365 1.00 2.09 C flip ATOM 1055 NE2 HIS A 80 15.436 6.369 1.173 1.00 2.17 N flip ATOM 0 H HIS A 80 13.456 12.505 2.121 1.00 0.71 H new ATOM 0 HA HIS A 80 13.260 9.707 2.893 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.426 10.062 0.501 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.795 10.544 1.484 1.00 0.87 H new ATOM 0 HD2 HIS A 80 14.508 7.697 -0.217 1.00 1.76 H new ATOM 0 HE1 HIS A 80 16.419 5.781 2.976 1.00 2.09 H new ATOM 0 HE2 HIS A 80 15.373 5.480 0.676 1.00 2.17 H new ATOM 1064 N GLU A 81 14.915 10.118 4.730 1.00 0.75 N ATOM 1065 CA GLU A 81 15.682 10.472 5.913 1.00 0.77 C ATOM 1066 C GLU A 81 17.123 10.753 5.516 1.00 0.72 C ATOM 1067 O GLU A 81 17.722 9.993 4.758 1.00 0.92 O ATOM 1068 CB GLU A 81 15.621 9.346 6.950 1.00 0.94 C ATOM 1069 CG GLU A 81 14.593 9.585 8.039 1.00 1.70 C ATOM 1070 CD GLU A 81 13.969 8.301 8.552 1.00 2.35 C ATOM 1071 OE1 GLU A 81 14.682 7.517 9.214 1.00 3.05 O ATOM 1072 OE2 GLU A 81 12.768 8.080 8.293 1.00 2.71 O ATOM 0 H GLU A 81 14.549 9.166 4.730 1.00 0.75 H new ATOM 0 HA GLU A 81 15.253 11.368 6.362 1.00 0.77 H new ATOM 0 HB2 GLU A 81 15.392 8.408 6.444 1.00 0.94 H new ATOM 0 HB3 GLU A 81 16.604 9.230 7.407 1.00 0.94 H new ATOM 0 HG2 GLU A 81 15.065 10.111 8.869 1.00 1.70 H new ATOM 0 HG3 GLU A 81 13.808 10.236 7.655 1.00 1.70 H new ATOM 1079 N ASP A 82 17.668 11.857 6.009 1.00 0.76 N ATOM 1080 CA ASP A 82 19.040 12.235 5.677 1.00 0.77 C ATOM 1081 C ASP A 82 19.753 12.836 6.904 1.00 0.96 C ATOM 1082 O ASP A 82 19.264 13.795 7.500 1.00 1.21 O ATOM 1083 CB ASP A 82 19.006 13.202 4.476 1.00 0.86 C ATOM 1084 CG ASP A 82 18.853 14.665 4.855 1.00 1.34 C ATOM 1085 OD1 ASP A 82 19.845 15.266 5.318 1.00 2.02 O ATOM 1086 OD2 ASP A 82 17.745 15.212 4.672 1.00 1.82 O ATOM 0 H ASP A 82 17.188 12.503 6.635 1.00 0.76 H new ATOM 0 HA ASP A 82 19.618 11.355 5.393 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.925 13.082 3.902 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.181 12.920 3.821 1.00 0.86 H new ATOM 1091 N PRO A 83 20.903 12.251 7.329 1.00 1.15 N ATOM 1092 CA PRO A 83 21.648 12.707 8.511 1.00 1.42 C ATOM 1093 C PRO A 83 22.594 13.876 8.236 1.00 1.28 C ATOM 1094 O PRO A 83 23.112 14.488 9.169 1.00 1.40 O ATOM 1095 CB PRO A 83 22.460 11.467 8.932 1.00 1.81 C ATOM 1096 CG PRO A 83 22.160 10.398 7.925 1.00 1.93 C ATOM 1097 CD PRO A 83 21.554 11.081 6.731 1.00 1.42 C ATOM 0 HA PRO A 83 20.964 13.082 9.272 1.00 1.42 H new ATOM 0 HB2 PRO A 83 23.527 11.691 8.954 1.00 1.81 H new ATOM 0 HB3 PRO A 83 22.182 11.144 9.935 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.069 9.865 7.645 1.00 1.93 H new ATOM 0 HG3 PRO A 83 21.472 9.660 8.338 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.310 11.367 6.000 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.840 10.439 6.216 1.00 1.42 H new ATOM 1105 N ALA A 84 22.837 14.169 6.965 1.00 1.13 N ATOM 1106 CA ALA A 84 23.735 15.260 6.601 1.00 1.17 C ATOM 1107 C ALA A 84 23.194 16.609 7.065 1.00 1.20 C ATOM 1108 O ALA A 84 23.952 17.477 7.499 1.00 1.53 O ATOM 1109 CB ALA A 84 23.962 15.277 5.096 1.00 1.21 C ATOM 0 H ALA A 84 22.429 13.672 6.174 1.00 1.13 H new ATOM 0 HA ALA A 84 24.686 15.089 7.105 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.634 16.096 4.839 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.406 14.332 4.784 1.00 1.21 H new ATOM 0 HB3 ALA A 84 23.009 15.416 4.586 1.00 1.21 H new ATOM 1115 N CYS A 85 21.885 16.779 6.956 1.00 1.02 N ATOM 1116 CA CYS A 85 21.233 18.020 7.349 1.00 1.19 C ATOM 1117 C CYS A 85 20.693 17.932 8.783 1.00 1.46 C ATOM 1118 O CYS A 85 19.596 18.405 9.078 1.00 1.88 O ATOM 1119 CB CYS A 85 20.100 18.322 6.367 1.00 1.15 C ATOM 1120 SG CYS A 85 20.649 18.629 4.655 1.00 1.42 S ATOM 0 H CYS A 85 21.249 16.068 6.596 1.00 1.02 H new ATOM 0 HA CYS A 85 21.964 18.828 7.324 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.402 17.485 6.367 1.00 1.15 H new ATOM 0 HB3 CYS A 85 19.551 19.194 6.722 1.00 1.15 H new ATOM 1125 N ASP A 86 21.476 17.299 9.660 1.00 1.53 N ATOM 1126 CA ASP A 86 21.107 17.099 11.065 1.00 1.90 C ATOM 1127 C ASP A 86 21.118 18.371 11.918 1.00 1.82 C ATOM 1128 O ASP A 86 20.311 18.493 12.839 1.00 2.29 O ATOM 1129 CB ASP A 86 22.020 16.063 11.709 1.00 2.43 C ATOM 1130 CG ASP A 86 21.243 14.899 12.288 1.00 3.07 C ATOM 1131 OD1 ASP A 86 20.772 14.049 11.502 1.00 3.47 O ATOM 1132 OD2 ASP A 86 21.099 14.840 13.526 1.00 3.60 O ATOM 0 H ASP A 86 22.386 16.909 9.416 1.00 1.53 H new ATOM 0 HA ASP A 86 20.074 16.753 11.039 1.00 1.90 H new ATOM 0 HB2 ASP A 86 22.727 15.693 10.967 1.00 2.43 H new ATOM 0 HB3 ASP A 86 22.604 16.536 12.498 1.00 2.43 H new ATOM 1363 N CYS B 110 -1.968 1.529 17.748 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.247 2.665 16.908 1.00 1.89 C ATOM 1365 C CYS B 110 -1.331 3.816 17.302 1.00 1.69 C ATOM 1366 O CYS B 110 -1.782 4.839 17.810 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.729 3.035 17.010 1.00 2.23 C ATOM 1368 SG CYS B 110 -4.637 2.909 15.430 1.00 2.61 S ATOM 0 HA CYS B 110 -2.048 2.425 15.863 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -4.205 2.385 17.744 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.813 4.055 17.385 1.00 2.23 H new ATOM 0 HG CYS B 110 -5.881 3.239 15.617 1.00 2.61 H new ATOM 1373 N LEU B 111 -0.035 3.624 17.056 1.00 1.46 N ATOM 1374 CA LEU B 111 1.000 4.617 17.374 1.00 1.37 C ATOM 1375 C LEU B 111 0.527 6.062 17.211 1.00 1.20 C ATOM 1376 O LEU B 111 0.377 6.534 16.089 1.00 1.18 O ATOM 1377 CB LEU B 111 2.247 4.420 16.497 1.00 1.54 C ATOM 1378 CG LEU B 111 2.963 3.064 16.590 1.00 1.90 C ATOM 1379 CD1 LEU B 111 3.003 2.548 18.019 1.00 2.47 C ATOM 1380 CD2 LEU B 111 2.307 2.051 15.663 1.00 2.26 C ATOM 0 H LEU B 111 0.331 2.773 16.629 1.00 1.46 H new ATOM 0 HA LEU B 111 1.238 4.451 18.425 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.958 4.579 15.458 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.965 5.200 16.751 1.00 1.54 H new ATOM 0 HG LEU B 111 3.995 3.209 16.269 1.00 1.90 H new ATOM 0 HD11 LEU B 111 3.517 1.587 18.045 1.00 2.47 H new ATOM 0 HD12 LEU B 111 3.535 3.261 18.649 1.00 2.47 H new ATOM 0 HD13 LEU B 111 1.986 2.425 18.390 1.00 2.47 H new ATOM 0 HD21 LEU B 111 2.827 1.096 15.741 1.00 2.26 H new ATOM 0 HD22 LEU B 111 1.263 1.920 15.947 1.00 2.26 H new ATOM 0 HD23 LEU B 111 2.361 2.410 14.635 1.00 2.26 H new ATOM 1392 N PRO B 112 0.355 6.817 18.307 1.00 1.19 N ATOM 1393 CA PRO B 112 -0.029 8.227 18.221 1.00 1.12 C ATOM 1394 C PRO B 112 1.070 9.071 17.579 1.00 1.03 C ATOM 1395 O PRO B 112 2.249 8.722 17.655 1.00 1.06 O ATOM 1396 CB PRO B 112 -0.218 8.654 19.682 1.00 1.30 C ATOM 1397 CG PRO B 112 0.574 7.678 20.483 1.00 1.47 C ATOM 1398 CD PRO B 112 0.563 6.385 19.706 1.00 1.37 C ATOM 0 HA PRO B 112 -0.920 8.364 17.608 1.00 1.12 H new ATOM 0 HB2 PRO B 112 0.135 9.673 19.843 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -1.270 8.633 19.965 1.00 1.30 H new ATOM 0 HG2 PRO B 112 1.594 8.034 20.632 1.00 1.47 H new ATOM 0 HG3 PRO B 112 0.137 7.541 21.472 1.00 1.47 H new ATOM 0 HD2 PRO B 112 1.500 5.841 19.822 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -0.234 5.722 20.043 1.00 1.37 H new ATOM 1406 N CYS B 113 0.695 10.178 16.935 1.00 0.94 N ATOM 1407 CA CYS B 113 1.680 11.055 16.345 1.00 0.90 C ATOM 1408 C CYS B 113 1.153 12.516 16.231 1.00 0.91 C ATOM 1409 O CYS B 113 -0.035 12.779 16.402 1.00 1.00 O ATOM 1410 CB CYS B 113 2.087 10.427 15.014 1.00 0.83 C ATOM 1411 SG CYS B 113 2.793 11.536 13.773 1.00 0.87 S ATOM 0 H CYS B 113 -0.273 10.477 16.815 1.00 0.94 H new ATOM 0 HA CYS B 113 2.565 11.149 16.975 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.812 9.639 15.218 1.00 0.83 H new ATOM 0 HB3 CYS B 113 1.209 9.948 14.581 1.00 0.83 H new ATOM 1416 N GLY B 114 2.052 13.444 15.878 1.00 0.92 N ATOM 1417 CA GLY B 114 1.669 14.847 15.684 1.00 0.99 C ATOM 1418 C GLY B 114 1.406 15.598 16.972 1.00 1.11 C ATOM 1419 O GLY B 114 1.802 15.137 18.042 1.00 1.16 O ATOM 0 H GLY B 114 3.041 13.250 15.722 1.00 0.92 H new ATOM 0 HA2 GLY B 114 2.460 15.356 15.134 1.00 0.99 H new ATOM 0 HA3 GLY B 114 0.774 14.886 15.064 1.00 0.99 H new ATOM 1423 N PRO B 115 0.653 16.733 16.922 1.00 1.19 N ATOM 1424 CA PRO B 115 0.259 17.488 18.131 1.00 1.33 C ATOM 1425 C PRO B 115 -0.478 16.453 18.930 1.00 1.40 C ATOM 1426 O PRO B 115 -1.414 15.858 18.408 1.00 1.57 O ATOM 1427 CB PRO B 115 -0.579 18.620 17.569 1.00 1.46 C ATOM 1428 CG PRO B 115 -1.185 17.945 16.424 1.00 1.39 C ATOM 1429 CD PRO B 115 -0.008 17.300 15.742 1.00 1.21 C ATOM 0 HA PRO B 115 1.020 17.932 18.773 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -1.322 18.981 18.280 1.00 1.46 H new ATOM 0 HB3 PRO B 115 0.025 19.479 17.275 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -1.923 17.207 16.736 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -1.696 18.648 15.766 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -0.304 16.540 15.019 1.00 1.21 H new ATOM 0 HD3 PRO B 115 0.618 18.018 15.212 1.00 1.21 H new ATOM 1437 N GLY B 116 -0.382 16.430 20.200 1.00 1.35 N ATOM 1438 CA GLY B 116 -1.188 15.557 20.986 1.00 1.48 C ATOM 1439 C GLY B 116 -1.251 14.132 20.545 1.00 1.44 C ATOM 1440 O GLY B 116 -1.806 13.313 21.284 1.00 1.70 O ATOM 0 H GLY B 116 0.258 17.015 20.737 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -0.818 15.581 22.011 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -2.203 15.954 21.004 1.00 1.48 H new ATOM 1444 N GLY B 117 -0.646 13.745 19.441 1.00 1.29 N ATOM 1445 CA GLY B 117 -0.706 12.373 19.135 1.00 1.26 C ATOM 1446 C GLY B 117 -2.027 11.926 18.528 1.00 1.26 C ATOM 1447 O GLY B 117 -2.567 10.864 18.843 1.00 1.38 O ATOM 0 H GLY B 117 -0.139 14.340 18.786 1.00 1.29 H new ATOM 0 HA2 GLY B 117 0.100 12.131 18.442 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -0.525 11.801 20.045 1.00 1.26 H new ATOM 1451 N LYS B 118 -2.501 12.782 17.594 1.00 1.19 N ATOM 1452 CA LYS B 118 -3.727 12.565 16.818 1.00 1.25 C ATOM 1453 C LYS B 118 -3.415 11.844 15.486 1.00 1.15 C ATOM 1454 O LYS B 118 -4.318 11.334 14.817 1.00 1.25 O ATOM 1455 CB LYS B 118 -4.454 13.897 16.563 1.00 1.30 C ATOM 1456 CG LYS B 118 -4.043 15.030 17.503 1.00 1.36 C ATOM 1457 CD LYS B 118 -5.240 15.640 18.219 1.00 1.78 C ATOM 1458 CE LYS B 118 -5.131 17.156 18.299 1.00 1.95 C ATOM 1459 NZ LYS B 118 -4.763 17.617 19.666 1.00 2.54 N ATOM 0 H LYS B 118 -2.029 13.655 17.360 1.00 1.19 H new ATOM 0 HA LYS B 118 -4.388 11.924 17.401 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -4.267 14.208 15.535 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -5.528 13.735 16.657 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -3.335 14.651 18.240 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -3.528 15.804 16.934 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -6.156 15.368 17.695 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -5.313 15.226 19.225 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -4.384 17.504 17.586 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.082 17.604 18.009 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -4.699 18.655 19.677 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -5.489 17.307 20.344 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -3.844 17.211 19.934 1.00 2.54 H new ATOM 1473 N GLY B 119 -2.125 11.844 15.111 1.00 1.04 N ATOM 1474 CA GLY B 119 -1.661 11.194 13.881 1.00 0.97 C ATOM 1475 C GLY B 119 -1.151 9.813 14.215 1.00 0.93 C ATOM 1476 O GLY B 119 -1.433 9.345 15.318 1.00 1.02 O ATOM 0 H GLY B 119 -1.383 12.291 15.649 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -2.475 11.130 13.159 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -0.871 11.785 13.418 1.00 0.97 H new ATOM 1480 N ARG B 120 -0.341 9.139 13.382 1.00 0.87 N ATOM 1481 CA ARG B 120 0.172 7.833 13.746 1.00 0.87 C ATOM 1482 C ARG B 120 1.636 7.777 13.258 1.00 0.80 C ATOM 1483 O ARG B 120 2.074 8.682 12.540 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.663 6.740 13.066 1.00 0.95 C ATOM 1485 CG ARG B 120 -1.150 5.648 14.003 1.00 1.16 C ATOM 1486 CD ARG B 120 -2.460 5.038 13.522 1.00 1.60 C ATOM 1487 NE ARG B 120 -2.375 4.561 12.142 1.00 1.82 N ATOM 1488 CZ ARG B 120 -3.375 3.959 11.498 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -4.539 3.750 12.102 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -3.211 3.559 10.243 1.00 2.89 N ATOM 0 H ARG B 120 -0.038 9.480 12.470 1.00 0.87 H new ATOM 0 HA ARG B 120 0.119 7.671 14.823 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.526 7.204 12.588 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.068 6.284 12.275 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -0.392 4.869 14.079 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -1.286 6.060 15.003 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -2.734 4.209 14.175 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.254 5.780 13.599 1.00 1.60 H new ATOM 0 HE ARG B 120 -1.497 4.697 11.642 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -4.674 4.051 13.067 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.298 3.289 11.601 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -2.320 3.712 9.771 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -3.976 3.098 9.750 1.00 2.89 H new ATOM 1504 N CYS B 121 2.403 6.755 13.633 1.00 0.82 N ATOM 1505 CA CYS B 121 3.812 6.697 13.208 1.00 0.81 C ATOM 1506 C CYS B 121 4.067 5.630 12.145 1.00 0.85 C ATOM 1507 O CYS B 121 3.477 4.551 12.162 1.00 1.05 O ATOM 1508 CB CYS B 121 4.735 6.440 14.408 1.00 0.91 C ATOM 1509 SG CYS B 121 5.558 7.933 15.063 1.00 1.07 S ATOM 0 H CYS B 121 2.092 5.975 14.212 1.00 0.82 H new ATOM 0 HA CYS B 121 4.034 7.669 12.768 1.00 0.81 H new ATOM 0 HB2 CYS B 121 4.152 5.982 15.207 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.498 5.719 14.116 1.00 0.91 H new ATOM 1514 N PHE B 122 4.972 5.962 11.221 1.00 0.76 N ATOM 1515 CA PHE B 122 5.353 5.067 10.131 1.00 0.84 C ATOM 1516 C PHE B 122 6.749 5.434 9.619 1.00 0.95 C ATOM 1517 O PHE B 122 6.934 5.741 8.441 1.00 1.44 O ATOM 1518 CB PHE B 122 4.330 5.159 8.994 1.00 0.86 C ATOM 1519 CG PHE B 122 2.968 4.657 9.376 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.639 3.318 9.219 1.00 1.41 C ATOM 1521 CD2 PHE B 122 2.012 5.522 9.892 1.00 1.42 C ATOM 1522 CE1 PHE B 122 1.386 2.851 9.572 1.00 1.53 C ATOM 1523 CE2 PHE B 122 0.758 5.058 10.245 1.00 1.50 C ATOM 1524 CZ PHE B 122 0.445 3.722 10.085 1.00 1.15 C ATOM 0 H PHE B 122 5.459 6.858 11.209 1.00 0.76 H new ATOM 0 HA PHE B 122 5.372 4.042 10.502 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.249 6.197 8.671 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.694 4.587 8.141 1.00 0.86 H new ATOM 0 HD1 PHE B 122 3.370 2.633 8.816 1.00 1.41 H new ATOM 0 HD2 PHE B 122 2.250 6.568 10.019 1.00 1.42 H new ATOM 0 HE1 PHE B 122 1.144 1.806 9.447 1.00 1.53 H new ATOM 0 HE2 PHE B 122 0.023 5.740 10.646 1.00 1.50 H new ATOM 0 HZ PHE B 122 -0.534 3.359 10.361 1.00 1.15 H new ATOM 1534 N GLY B 123 7.725 5.403 10.528 1.00 0.84 N ATOM 1535 CA GLY B 123 9.098 5.747 10.185 1.00 0.89 C ATOM 1536 C GLY B 123 9.633 6.832 11.105 1.00 0.89 C ATOM 1537 O GLY B 123 8.861 7.668 11.567 1.00 0.90 O ATOM 0 H GLY B 123 7.586 5.143 11.505 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.728 4.860 10.258 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.144 6.087 9.150 1.00 0.89 H new ATOM 1541 N PRO B 124 10.948 6.849 11.412 1.00 1.02 N ATOM 1542 CA PRO B 124 11.523 7.861 12.307 1.00 1.08 C ATOM 1543 C PRO B 124 11.166 9.280 11.881 1.00 0.96 C ATOM 1544 O PRO B 124 10.303 9.899 12.490 1.00 1.02 O ATOM 1545 CB PRO B 124 13.028 7.618 12.217 1.00 1.33 C ATOM 1546 CG PRO B 124 13.150 6.187 11.825 1.00 1.51 C ATOM 1547 CD PRO B 124 11.968 5.897 10.934 1.00 1.26 C ATOM 0 HA PRO B 124 11.138 7.772 13.323 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.493 8.273 11.480 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.519 7.812 13.170 1.00 1.33 H new ATOM 0 HG2 PRO B 124 14.088 6.005 11.300 1.00 1.51 H new ATOM 0 HG3 PRO B 124 13.145 5.540 12.702 1.00 1.51 H new ATOM 0 HD2 PRO B 124 12.207 6.056 9.883 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.633 4.864 11.032 1.00 1.26 H new ATOM 1555 N SER B 125 11.800 9.791 10.825 1.00 0.97 N ATOM 1556 CA SER B 125 11.482 11.135 10.343 1.00 0.92 C ATOM 1557 C SER B 125 10.363 11.049 9.328 1.00 0.76 C ATOM 1558 O SER B 125 10.349 11.777 8.340 1.00 0.78 O ATOM 1559 CB SER B 125 12.706 11.821 9.711 1.00 1.12 C ATOM 1560 OG SER B 125 13.446 12.543 10.677 1.00 1.25 O ATOM 0 H SER B 125 12.524 9.305 10.295 1.00 0.97 H new ATOM 0 HA SER B 125 11.172 11.737 11.197 1.00 0.92 H new ATOM 0 HB2 SER B 125 13.346 11.071 9.245 1.00 1.12 H new ATOM 0 HB3 SER B 125 12.379 12.497 8.920 1.00 1.12 H new ATOM 0 HG SER B 125 14.218 12.967 10.248 1.00 1.25 H new ATOM 1566 N ILE B 126 9.422 10.148 9.596 1.00 0.70 N ATOM 1567 CA ILE B 126 8.294 9.930 8.738 1.00 0.60 C ATOM 1568 C ILE B 126 7.078 9.531 9.575 1.00 0.57 C ATOM 1569 O ILE B 126 6.980 8.403 10.062 1.00 0.74 O ATOM 1570 CB ILE B 126 8.629 8.855 7.685 1.00 0.60 C ATOM 1571 CG1 ILE B 126 10.009 9.127 7.086 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.574 8.844 6.605 1.00 0.72 C ATOM 1573 CD1 ILE B 126 10.476 8.073 6.107 1.00 0.85 C ATOM 0 H ILE B 126 9.434 9.552 10.424 1.00 0.70 H new ATOM 0 HA ILE B 126 8.055 10.852 8.209 1.00 0.60 H new ATOM 0 HB ILE B 126 8.644 7.876 8.163 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.990 10.093 6.582 1.00 0.79 H new ATOM 0 HG13 ILE B 126 10.736 9.204 7.895 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.819 8.082 5.865 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.603 8.622 7.047 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.538 9.820 6.122 1.00 0.72 H new ATOM 0 HD11 ILE B 126 11.462 8.340 5.728 1.00 0.85 H new ATOM 0 HD12 ILE B 126 10.530 7.107 6.610 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.773 8.011 5.276 1.00 0.85 H new ATOM 1585 N CYS B 127 6.178 10.485 9.771 1.00 0.54 N ATOM 1586 CA CYS B 127 4.985 10.277 10.586 1.00 0.53 C ATOM 1587 C CYS B 127 3.723 10.463 9.745 1.00 0.53 C ATOM 1588 O CYS B 127 3.543 11.510 9.137 1.00 0.56 O ATOM 1589 CB CYS B 127 4.993 11.299 11.720 1.00 0.56 C ATOM 1590 SG CYS B 127 4.555 10.631 13.349 1.00 0.89 S ATOM 0 H CYS B 127 6.252 11.421 9.373 1.00 0.54 H new ATOM 0 HA CYS B 127 4.989 9.262 10.984 1.00 0.53 H new ATOM 0 HB2 CYS B 127 5.985 11.746 11.781 1.00 0.56 H new ATOM 0 HB3 CYS B 127 4.297 12.101 11.473 1.00 0.56 H new ATOM 1595 N CYS B 128 2.852 9.452 9.685 1.00 0.53 N ATOM 1596 CA CYS B 128 1.644 9.576 8.867 1.00 0.56 C ATOM 1597 C CYS B 128 0.357 8.968 9.443 1.00 0.60 C ATOM 1598 O CYS B 128 0.287 7.751 9.652 1.00 0.76 O ATOM 1599 CB CYS B 128 1.858 8.936 7.482 1.00 0.63 C ATOM 1600 SG CYS B 128 3.538 8.324 7.134 1.00 1.23 S ATOM 0 H CYS B 128 2.955 8.564 10.177 1.00 0.53 H new ATOM 0 HA CYS B 128 1.493 10.655 8.825 1.00 0.56 H new ATOM 0 HB2 CYS B 128 1.161 8.104 7.377 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.596 9.670 6.720 1.00 0.63 H new ATOM 1605 N GLY B 129 -0.704 9.807 9.637 1.00 0.60 N ATOM 1606 CA GLY B 129 -1.973 9.312 10.075 1.00 0.65 C ATOM 1607 C GLY B 129 -2.948 9.443 8.922 1.00 0.66 C ATOM 1608 O GLY B 129 -2.534 9.699 7.794 1.00 0.64 O ATOM 0 H GLY B 129 -0.670 10.816 9.489 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -1.889 8.271 10.387 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -2.325 9.876 10.938 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.221 9.252 9.177 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.226 9.300 8.118 1.00 0.76 C ATOM 1614 C ASP B 130 -5.357 10.654 7.456 1.00 0.77 C ATOM 1615 O ASP B 130 -5.171 10.757 6.237 1.00 0.81 O ATOM 1616 CB ASP B 130 -6.579 8.866 8.656 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.032 9.710 9.828 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -6.168 10.127 10.629 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -8.249 9.965 9.941 1.00 2.35 O ATOM 0 H ASP B 130 -4.595 9.061 10.107 1.00 0.72 H new ATOM 0 HA ASP B 130 -4.880 8.609 7.349 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.320 8.928 7.859 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -6.527 7.821 8.963 1.00 0.84 H new ATOM 1624 N GLU B 131 -5.712 11.683 8.202 1.00 0.79 N ATOM 1625 CA GLU B 131 -5.889 12.989 7.593 1.00 0.85 C ATOM 1626 C GLU B 131 -4.869 13.977 8.115 1.00 0.89 C ATOM 1627 O GLU B 131 -5.053 15.187 8.080 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.263 13.529 8.070 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.078 12.593 8.978 1.00 1.02 C ATOM 1630 CD GLU B 131 -9.576 12.819 8.858 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.018 13.974 9.030 1.00 1.63 O ATOM 1632 OE2 GLU B 131 -10.306 11.840 8.591 1.00 1.69 O ATOM 0 H GLU B 131 -5.880 11.645 9.207 1.00 0.79 H new ATOM 0 HA GLU B 131 -5.799 12.887 6.512 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.098 14.466 8.602 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -7.864 13.764 7.191 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -7.849 11.558 8.725 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -7.774 12.743 10.014 1.00 1.02 H new ATOM 1639 N LEU B 132 -3.784 13.423 8.496 1.00 0.83 N ATOM 1640 CA LEU B 132 -2.669 14.111 8.986 1.00 0.89 C ATOM 1641 C LEU B 132 -1.564 13.653 8.074 1.00 0.83 C ATOM 1642 O LEU B 132 -0.483 14.225 8.031 1.00 0.91 O ATOM 1643 CB LEU B 132 -2.462 13.684 10.432 1.00 0.93 C ATOM 1644 CG LEU B 132 -2.693 14.764 11.502 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -2.542 14.168 12.893 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -1.755 15.937 11.305 1.00 1.38 C ATOM 0 H LEU B 132 -3.648 12.412 8.470 1.00 0.83 H new ATOM 0 HA LEU B 132 -2.743 15.198 8.993 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.129 12.848 10.640 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -1.443 13.312 10.536 1.00 0.93 H new ATOM 0 HG LEU B 132 -3.711 15.139 11.398 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -2.708 14.943 13.641 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -3.273 13.371 13.028 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -1.537 13.762 13.008 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -1.941 16.685 12.076 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -0.723 15.593 11.374 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.925 16.378 10.323 1.00 1.38 H new ATOM 1658 N GLY B 133 -1.932 12.649 7.252 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.068 12.134 6.254 1.00 0.70 C ATOM 1660 C GLY B 133 0.330 11.868 6.772 1.00 0.66 C ATOM 1661 O GLY B 133 0.465 11.218 7.807 1.00 0.65 O ATOM 0 H GLY B 133 -2.844 12.195 7.288 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.487 11.209 5.859 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.016 12.840 5.425 1.00 0.70 H new ATOM 1665 N CYS B 134 1.393 12.330 6.105 1.00 0.69 N ATOM 1666 CA CYS B 134 2.716 12.044 6.623 1.00 0.68 C ATOM 1667 C CYS B 134 3.604 13.240 6.714 1.00 0.64 C ATOM 1668 O CYS B 134 3.977 13.809 5.687 1.00 0.62 O ATOM 1669 CB CYS B 134 3.470 11.043 5.755 1.00 0.72 C ATOM 1670 SG CYS B 134 4.610 9.987 6.690 1.00 1.08 S ATOM 0 H CYS B 134 1.361 12.878 5.245 1.00 0.69 H new ATOM 0 HA CYS B 134 2.513 11.650 7.619 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.750 10.413 5.232 1.00 0.72 H new ATOM 0 HB3 CYS B 134 4.031 11.585 4.994 1.00 0.72 H new ATOM 1675 N PHE B 135 4.034 13.565 7.930 1.00 0.67 N ATOM 1676 CA PHE B 135 4.973 14.618 8.065 1.00 0.66 C ATOM 1677 C PHE B 135 6.287 13.895 8.080 1.00 0.64 C ATOM 1678 O PHE B 135 6.678 13.307 9.089 1.00 0.64 O ATOM 1679 CB PHE B 135 4.764 15.418 9.365 1.00 0.70 C ATOM 1680 CG PHE B 135 3.442 15.175 10.036 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.326 15.905 9.678 1.00 1.15 C ATOM 1682 CD2 PHE B 135 3.315 14.209 11.012 1.00 0.96 C ATOM 1683 CE1 PHE B 135 1.116 15.674 10.283 1.00 1.36 C ATOM 1684 CE2 PHE B 135 2.102 13.971 11.620 1.00 1.19 C ATOM 1685 CZ PHE B 135 1.003 14.700 11.260 1.00 1.23 C ATOM 0 H PHE B 135 3.744 13.116 8.799 1.00 0.67 H new ATOM 0 HA PHE B 135 4.891 15.358 7.269 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.563 15.169 10.063 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.855 16.481 9.142 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.406 16.665 8.915 1.00 1.15 H new ATOM 0 HD2 PHE B 135 4.179 13.631 11.304 1.00 0.96 H new ATOM 0 HE1 PHE B 135 0.251 16.253 9.996 1.00 1.36 H new ATOM 0 HE2 PHE B 135 2.019 13.209 12.381 1.00 1.19 H new ATOM 0 HZ PHE B 135 0.051 14.517 11.736 1.00 1.23 H new ATOM 1695 N VAL B 136 6.972 13.940 6.965 1.00 0.66 N ATOM 1696 CA VAL B 136 8.223 13.274 6.866 1.00 0.68 C ATOM 1697 C VAL B 136 9.290 14.219 7.341 1.00 0.71 C ATOM 1698 O VAL B 136 9.800 15.085 6.615 1.00 0.74 O ATOM 1699 CB VAL B 136 8.483 12.706 5.446 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.605 11.689 5.476 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.201 12.068 4.874 1.00 0.74 C ATOM 0 H VAL B 136 6.676 14.432 6.122 1.00 0.66 H new ATOM 0 HA VAL B 136 8.226 12.391 7.505 1.00 0.68 H new ATOM 0 HB VAL B 136 8.779 13.531 4.798 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.772 11.302 4.471 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.517 12.164 5.839 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.334 10.868 6.140 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.403 11.675 3.878 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.877 11.256 5.525 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.415 12.821 4.815 1.00 0.74 H new ATOM 1711 N GLY B 137 9.556 14.064 8.625 1.00 0.72 N ATOM 1712 CA GLY B 137 10.534 14.892 9.298 1.00 0.76 C ATOM 1713 C GLY B 137 9.951 16.101 9.997 1.00 0.73 C ATOM 1714 O GLY B 137 10.030 17.215 9.484 1.00 0.83 O ATOM 0 H GLY B 137 9.106 13.370 9.222 1.00 0.72 H new ATOM 0 HA2 GLY B 137 11.065 14.284 10.031 1.00 0.76 H new ATOM 0 HA3 GLY B 137 11.271 15.229 8.569 1.00 0.76 H new ATOM 1718 N THR B 138 9.391 15.881 11.180 1.00 0.69 N ATOM 1719 CA THR B 138 8.801 16.952 11.983 1.00 0.70 C ATOM 1720 C THR B 138 8.742 16.519 13.449 1.00 0.73 C ATOM 1721 O THR B 138 8.854 15.330 13.738 1.00 0.77 O ATOM 1722 CB THR B 138 7.393 17.288 11.476 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.517 16.182 11.629 1.00 0.78 O ATOM 1724 CG2 THR B 138 7.349 17.700 10.017 1.00 0.77 C ATOM 0 H THR B 138 9.332 14.959 11.612 1.00 0.69 H new ATOM 0 HA THR B 138 9.421 17.844 11.895 1.00 0.70 H new ATOM 0 HB THR B 138 7.077 18.134 12.086 1.00 0.73 H new ATOM 0 HG1 THR B 138 7.042 15.363 11.750 1.00 0.78 H new ATOM 0 HG21 THR B 138 6.320 17.922 9.732 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.965 18.587 9.871 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.730 16.888 9.398 1.00 0.77 H new ATOM 1732 N ALA B 139 8.522 17.456 14.376 1.00 0.79 N ATOM 1733 CA ALA B 139 8.422 17.109 15.793 1.00 0.88 C ATOM 1734 C ALA B 139 7.237 16.182 16.046 1.00 0.83 C ATOM 1735 O ALA B 139 7.161 15.514 17.077 1.00 0.87 O ATOM 1736 CB ALA B 139 8.263 18.376 16.620 1.00 1.04 C ATOM 0 H ALA B 139 8.411 18.449 14.172 1.00 0.79 H new ATOM 0 HA ALA B 139 9.335 16.590 16.085 1.00 0.88 H new ATOM 0 HB1 ALA B 139 8.189 18.115 17.676 1.00 1.04 H new ATOM 0 HB2 ALA B 139 9.127 19.022 16.466 1.00 1.04 H new ATOM 0 HB3 ALA B 139 7.359 18.901 16.312 1.00 1.04 H new ATOM 1742 N GLU B 140 6.360 16.089 15.052 1.00 0.79 N ATOM 1743 CA GLU B 140 5.208 15.205 15.118 1.00 0.79 C ATOM 1744 C GLU B 140 5.674 13.758 15.034 1.00 0.73 C ATOM 1745 O GLU B 140 4.927 12.829 15.331 1.00 0.79 O ATOM 1746 CB GLU B 140 4.238 15.530 13.981 1.00 0.83 C ATOM 1747 CG GLU B 140 3.684 16.950 14.044 1.00 1.27 C ATOM 1748 CD GLU B 140 2.603 17.201 13.012 1.00 1.55 C ATOM 1749 OE1 GLU B 140 1.431 16.869 13.284 1.00 1.90 O ATOM 1750 OE2 GLU B 140 2.930 17.732 11.929 1.00 2.31 O ATOM 0 H GLU B 140 6.429 16.621 14.185 1.00 0.79 H new ATOM 0 HA GLU B 140 4.687 15.351 16.064 1.00 0.79 H new ATOM 0 HB2 GLU B 140 4.747 15.389 13.028 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.409 14.823 14.008 1.00 0.83 H new ATOM 0 HG2 GLU B 140 3.280 17.135 15.040 1.00 1.27 H new ATOM 0 HG3 GLU B 140 4.497 17.660 13.893 1.00 1.27 H new ATOM 1757 N ALA B 141 6.925 13.585 14.611 1.00 0.69 N ATOM 1758 CA ALA B 141 7.525 12.278 14.467 1.00 0.70 C ATOM 1759 C ALA B 141 8.310 11.898 15.722 1.00 0.77 C ATOM 1760 O ALA B 141 8.550 10.731 15.975 1.00 0.87 O ATOM 1761 CB ALA B 141 8.415 12.254 13.230 1.00 0.75 C ATOM 0 H ALA B 141 7.545 14.355 14.360 1.00 0.69 H new ATOM 0 HA ALA B 141 6.735 11.537 14.341 1.00 0.70 H new ATOM 0 HB1 ALA B 141 8.865 11.267 13.125 1.00 0.75 H new ATOM 0 HB2 ALA B 141 7.816 12.475 12.347 1.00 0.75 H new ATOM 0 HB3 ALA B 141 9.201 13.002 13.333 1.00 0.75 H new ATOM 1767 N LEU B 142 8.770 12.900 16.465 1.00 0.80 N ATOM 1768 CA LEU B 142 9.584 12.651 17.657 1.00 0.93 C ATOM 1769 C LEU B 142 9.091 11.455 18.490 1.00 1.06 C ATOM 1770 O LEU B 142 9.902 10.738 19.074 1.00 1.24 O ATOM 1771 CB LEU B 142 9.682 13.911 18.521 1.00 0.97 C ATOM 1772 CG LEU B 142 10.904 14.791 18.243 1.00 1.01 C ATOM 1773 CD1 LEU B 142 10.660 16.219 18.713 1.00 1.11 C ATOM 1774 CD2 LEU B 142 12.141 14.212 18.911 1.00 1.14 C ATOM 0 H LEU B 142 8.597 13.886 16.268 1.00 0.80 H new ATOM 0 HA LEU B 142 10.579 12.387 17.299 1.00 0.93 H new ATOM 0 HB2 LEU B 142 8.782 14.507 18.371 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.697 13.614 19.570 1.00 0.97 H new ATOM 0 HG LEU B 142 11.072 14.812 17.166 1.00 1.01 H new ATOM 0 HD11 LEU B 142 11.541 16.826 18.505 1.00 1.11 H new ATOM 0 HD12 LEU B 142 9.801 16.634 18.185 1.00 1.11 H new ATOM 0 HD13 LEU B 142 10.463 16.221 19.785 1.00 1.11 H new ATOM 0 HD21 LEU B 142 13.000 14.850 18.703 1.00 1.14 H new ATOM 0 HD22 LEU B 142 11.982 14.158 19.988 1.00 1.14 H new ATOM 0 HD23 LEU B 142 12.330 13.211 18.522 1.00 1.14 H new ATOM 1786 N ARG B 143 7.781 11.215 18.518 1.00 1.06 N ATOM 1787 CA ARG B 143 7.226 10.066 19.253 1.00 1.26 C ATOM 1788 C ARG B 143 7.627 8.763 18.532 1.00 1.27 C ATOM 1789 O ARG B 143 7.529 7.658 19.058 1.00 1.49 O ATOM 1790 CB ARG B 143 5.701 10.207 19.338 1.00 1.35 C ATOM 1791 CG ARG B 143 5.199 10.560 20.731 1.00 1.36 C ATOM 1792 CD ARG B 143 5.557 9.486 21.744 1.00 1.50 C ATOM 1793 NE ARG B 143 5.005 8.184 21.379 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.846 7.709 21.835 1.00 2.20 C ATOM 1795 NH1 ARG B 143 3.107 8.423 22.675 1.00 2.36 N ATOM 1796 NH2 ARG B 143 3.424 6.514 21.445 1.00 2.93 N ATOM 0 H ARG B 143 7.084 11.792 18.046 1.00 1.06 H new ATOM 0 HA ARG B 143 7.624 10.036 20.267 1.00 1.26 H new ATOM 0 HB2 ARG B 143 5.376 10.977 18.638 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.240 9.272 19.021 1.00 1.35 H new ATOM 0 HG2 ARG B 143 5.628 11.512 21.043 1.00 1.36 H new ATOM 0 HG3 ARG B 143 4.117 10.691 20.706 1.00 1.36 H new ATOM 0 HD2 ARG B 143 6.641 9.410 21.824 1.00 1.50 H new ATOM 0 HD3 ARG B 143 5.184 9.775 22.726 1.00 1.50 H new ATOM 0 HE ARG B 143 5.540 7.602 20.735 1.00 1.90 H new ATOM 0 HH11 ARG B 143 3.424 9.344 22.977 1.00 2.36 H new ATOM 0 HH12 ARG B 143 2.222 8.051 23.018 1.00 2.36 H new ATOM 0 HH21 ARG B 143 3.986 5.961 20.798 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.538 6.148 21.792 1.00 2.93 H new ATOM 1810 N CYS B 144 8.003 8.969 17.281 1.00 1.10 N ATOM 1811 CA CYS B 144 8.372 7.859 16.393 1.00 1.17 C ATOM 1812 C CYS B 144 9.581 7.085 16.950 1.00 1.44 C ATOM 1813 O CYS B 144 9.748 5.897 16.665 1.00 1.61 O ATOM 1814 CB CYS B 144 8.620 8.332 14.956 1.00 1.05 C ATOM 1815 SG CYS B 144 7.173 8.167 13.842 1.00 1.26 S ATOM 0 H CYS B 144 8.064 9.891 16.850 1.00 1.10 H new ATOM 0 HA CYS B 144 7.524 7.175 16.358 1.00 1.17 H new ATOM 0 HB2 CYS B 144 8.928 9.377 14.979 1.00 1.05 H new ATOM 0 HB3 CYS B 144 9.451 7.764 14.538 1.00 1.05 H new ATOM 1820 N GLN B 145 10.414 7.749 17.759 1.00 1.58 N ATOM 1821 CA GLN B 145 11.583 7.103 18.368 1.00 1.89 C ATOM 1822 C GLN B 145 11.205 5.794 19.071 1.00 2.14 C ATOM 1823 O GLN B 145 11.921 4.791 18.973 1.00 2.40 O ATOM 1824 CB GLN B 145 12.244 8.049 19.379 1.00 2.00 C ATOM 1825 CG GLN B 145 13.669 7.659 19.741 1.00 2.43 C ATOM 1826 CD GLN B 145 14.521 8.853 20.133 1.00 2.77 C ATOM 1827 OE1 GLN B 145 15.413 9.264 19.392 1.00 3.35 O ATOM 1828 NE2 GLN B 145 14.250 9.414 21.307 1.00 3.05 N ATOM 0 H GLN B 145 10.301 8.732 18.007 1.00 1.58 H new ATOM 0 HA GLN B 145 12.283 6.871 17.565 1.00 1.89 H new ATOM 0 HB2 GLN B 145 12.246 9.059 18.970 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.642 8.074 20.287 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.648 6.946 20.565 1.00 2.43 H new ATOM 0 HG3 GLN B 145 14.129 7.152 18.893 1.00 2.43 H new ATOM 0 HE21 GLN B 145 13.501 9.040 21.890 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.791 10.218 21.625 1.00 3.05 H new ATOM 1837 N GLU B 146 10.073 5.793 19.768 1.00 2.12 N ATOM 1838 CA GLU B 146 9.636 4.595 20.476 1.00 2.41 C ATOM 1839 C GLU B 146 8.856 3.685 19.538 1.00 2.40 C ATOM 1840 O GLU B 146 8.344 2.643 19.952 1.00 2.57 O ATOM 1841 CB GLU B 146 8.760 4.971 21.679 1.00 2.47 C ATOM 1842 CG GLU B 146 9.445 4.787 23.024 1.00 2.88 C ATOM 1843 CD GLU B 146 9.128 3.450 23.665 1.00 3.26 C ATOM 1844 OE1 GLU B 146 7.978 3.264 24.116 1.00 3.76 O ATOM 1845 OE2 GLU B 146 10.030 2.587 23.716 1.00 3.59 O ATOM 0 H GLU B 146 9.450 6.595 19.857 1.00 2.12 H new ATOM 0 HA GLU B 146 10.520 4.067 20.835 1.00 2.41 H new ATOM 0 HB2 GLU B 146 8.451 6.012 21.579 1.00 2.47 H new ATOM 0 HB3 GLU B 146 7.854 4.366 21.659 1.00 2.47 H new ATOM 0 HG2 GLU B 146 10.523 4.876 22.893 1.00 2.88 H new ATOM 0 HG3 GLU B 146 9.139 5.589 23.696 1.00 2.88 H new ATOM 1852 N GLU B 147 8.824 4.053 18.258 1.00 2.27 N ATOM 1853 CA GLU B 147 8.160 3.243 17.256 1.00 2.36 C ATOM 1854 C GLU B 147 9.099 2.121 16.814 1.00 2.40 C ATOM 1855 O GLU B 147 8.752 1.304 15.961 1.00 2.48 O ATOM 1856 CB GLU B 147 7.760 4.104 16.054 1.00 2.40 C ATOM 1857 CG GLU B 147 6.697 3.465 15.174 1.00 2.97 C ATOM 1858 CD GLU B 147 7.243 3.020 13.830 1.00 3.47 C ATOM 1859 OE1 GLU B 147 7.640 3.895 13.030 1.00 4.01 O ATOM 1860 OE2 GLU B 147 7.272 1.798 13.577 1.00 3.71 O ATOM 0 H GLU B 147 9.251 4.906 17.898 1.00 2.27 H new ATOM 0 HA GLU B 147 7.255 2.811 17.683 1.00 2.36 H new ATOM 0 HB2 GLU B 147 7.393 5.066 16.413 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.646 4.306 15.451 1.00 2.40 H new ATOM 0 HG2 GLU B 147 6.271 2.606 15.691 1.00 2.97 H new ATOM 0 HG3 GLU B 147 5.886 4.176 15.015 1.00 2.97 H new ATOM 1987 N SER B 156 -2.963 0.191 7.974 1.00 2.21 N ATOM 1988 CA SER B 156 -2.314 1.068 6.980 1.00 2.03 C ATOM 1989 C SER B 156 -2.448 0.505 5.563 1.00 1.77 C ATOM 1990 O SER B 156 -2.368 -0.705 5.352 1.00 2.17 O ATOM 1991 CB SER B 156 -0.831 1.328 7.308 1.00 2.58 C ATOM 1992 OG SER B 156 0.024 0.326 6.770 1.00 3.11 O ATOM 0 HA SER B 156 -2.838 2.023 7.027 1.00 2.03 H new ATOM 0 HB2 SER B 156 -0.539 2.302 6.914 1.00 2.58 H new ATOM 0 HB3 SER B 156 -0.702 1.370 8.390 1.00 2.58 H new ATOM 0 HG SER B 156 0.954 0.531 7.001 1.00 3.11 H new ATOM 1998 N GLY B 157 -2.701 1.394 4.598 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.888 0.979 3.224 1.00 1.82 C ATOM 2000 C GLY B 157 -1.720 0.203 2.693 1.00 1.65 C ATOM 2001 O GLY B 157 -0.614 0.739 2.564 1.00 2.07 O ATOM 0 H GLY B 157 -2.779 2.399 4.752 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -3.788 0.369 3.152 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -3.049 1.859 2.601 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.947 -1.067 2.377 1.00 1.33 N ATOM 2006 CA GLN B 158 -0.866 -1.866 1.868 1.00 1.42 C ATOM 2007 C GLN B 158 -0.605 -1.501 0.421 1.00 1.04 C ATOM 2008 O GLN B 158 -0.791 -2.297 -0.493 1.00 0.95 O ATOM 2009 CB GLN B 158 -1.266 -3.348 1.953 1.00 1.93 C ATOM 2010 CG GLN B 158 -1.563 -3.832 3.365 1.00 2.76 C ATOM 2011 CD GLN B 158 -1.917 -5.308 3.422 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -1.112 -6.135 3.852 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -3.127 -5.647 2.990 1.00 4.34 N ATOM 0 H GLN B 158 -2.844 -1.544 2.464 1.00 1.33 H new ATOM 0 HA GLN B 158 0.036 -1.687 2.454 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -2.147 -3.512 1.332 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -0.463 -3.954 1.534 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -0.694 -3.647 3.997 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -2.387 -3.250 3.777 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -3.763 -4.930 2.642 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -3.419 -6.624 3.007 1.00 4.34 H new ATOM 2022 N LYS B 159 -0.126 -0.285 0.252 1.00 1.15 N ATOM 2023 CA LYS B 159 0.309 0.240 -1.032 1.00 1.13 C ATOM 2024 C LYS B 159 1.825 0.372 -1.078 1.00 0.95 C ATOM 2025 O LYS B 159 2.299 1.506 -0.997 1.00 0.91 O ATOM 2026 CB LYS B 159 -0.416 1.524 -1.370 1.00 1.54 C ATOM 2027 CG LYS B 159 -1.661 1.283 -2.217 1.00 1.91 C ATOM 2028 CD LYS B 159 -1.319 0.623 -3.546 1.00 2.18 C ATOM 2029 CE LYS B 159 -0.636 1.599 -4.490 1.00 2.81 C ATOM 2030 NZ LYS B 159 -0.017 0.909 -5.655 1.00 3.54 N ATOM 0 H LYS B 159 -0.025 0.382 1.018 1.00 1.15 H new ATOM 0 HA LYS B 159 0.040 -0.472 -1.812 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -0.700 2.031 -0.448 1.00 1.54 H new ATOM 0 HB3 LYS B 159 0.261 2.190 -1.905 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -2.359 0.652 -1.667 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -2.165 2.232 -2.401 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -0.668 -0.233 -3.372 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -2.229 0.242 -4.010 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -1.364 2.329 -4.846 1.00 2.81 H new ATOM 0 HE3 LYS B 159 0.131 2.152 -3.947 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 0.438 1.611 -6.273 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 0.696 0.231 -5.318 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -0.752 0.402 -6.189 1.00 3.54 H new ATOM 2044 N PRO B 160 2.615 -0.713 -1.121 1.00 1.05 N ATOM 2045 CA PRO B 160 4.074 -0.605 -1.087 1.00 1.14 C ATOM 2046 C PRO B 160 4.732 -0.138 -2.386 1.00 1.10 C ATOM 2047 O PRO B 160 5.264 -0.922 -3.170 1.00 1.23 O ATOM 2048 CB PRO B 160 4.535 -2.005 -0.722 1.00 1.46 C ATOM 2049 CG PRO B 160 3.460 -2.886 -1.248 1.00 1.51 C ATOM 2050 CD PRO B 160 2.171 -2.105 -1.135 1.00 1.27 C ATOM 0 HA PRO B 160 4.369 0.169 -0.378 1.00 1.14 H new ATOM 0 HB2 PRO B 160 5.499 -2.238 -1.174 1.00 1.46 H new ATOM 0 HB3 PRO B 160 4.652 -2.118 0.356 1.00 1.46 H new ATOM 0 HG2 PRO B 160 3.657 -3.162 -2.284 1.00 1.51 H new ATOM 0 HG3 PRO B 160 3.404 -3.813 -0.677 1.00 1.51 H new ATOM 0 HD2 PRO B 160 1.505 -2.305 -1.975 1.00 1.27 H new ATOM 0 HD3 PRO B 160 1.625 -2.361 -0.227 1.00 1.27 H new ATOM 2058 N CYS B 161 4.728 1.165 -2.525 1.00 1.09 N ATOM 2059 CA CYS B 161 5.315 1.915 -3.624 1.00 1.15 C ATOM 2060 C CYS B 161 6.724 2.294 -3.209 1.00 1.37 C ATOM 2061 O CYS B 161 7.165 1.796 -2.170 1.00 1.58 O ATOM 2062 CB CYS B 161 4.467 3.054 -4.183 1.00 1.32 C ATOM 2063 SG CYS B 161 4.626 4.624 -3.310 1.00 1.58 S ATOM 0 H CYS B 161 4.289 1.774 -1.834 1.00 1.09 H new ATOM 0 HA CYS B 161 5.356 1.276 -4.506 1.00 1.15 H new ATOM 0 HB2 CYS B 161 4.736 3.208 -5.228 1.00 1.32 H new ATOM 0 HB3 CYS B 161 3.420 2.750 -4.165 1.00 1.32 H new ATOM 2068 N GLY B 162 7.369 3.312 -3.766 1.00 1.57 N ATOM 2069 CA GLY B 162 8.638 3.723 -3.190 1.00 1.88 C ATOM 2070 C GLY B 162 9.688 2.649 -3.008 1.00 2.05 C ATOM 2071 O GLY B 162 9.615 1.550 -3.560 1.00 2.37 O ATOM 0 H GLY B 162 7.053 3.844 -4.576 1.00 1.57 H new ATOM 0 HA2 GLY B 162 9.059 4.505 -3.821 1.00 1.88 H new ATOM 0 HA3 GLY B 162 8.439 4.171 -2.217 1.00 1.88 H new ATOM 2075 N SER B 163 10.698 3.040 -2.238 1.00 2.40 N ATOM 2076 CA SER B 163 11.868 2.213 -1.926 1.00 2.93 C ATOM 2077 C SER B 163 11.582 1.319 -0.736 1.00 2.71 C ATOM 2078 O SER B 163 12.421 1.133 0.149 1.00 3.29 O ATOM 2079 CB SER B 163 13.071 3.114 -1.616 1.00 3.81 C ATOM 2080 OG SER B 163 14.264 2.592 -2.171 1.00 4.07 O ATOM 0 H SER B 163 10.731 3.961 -1.801 1.00 2.40 H new ATOM 0 HA SER B 163 12.094 1.587 -2.789 1.00 2.93 H new ATOM 0 HB2 SER B 163 12.891 4.113 -2.012 1.00 3.81 H new ATOM 0 HB3 SER B 163 13.184 3.214 -0.536 1.00 3.81 H new ATOM 0 HG SER B 163 15.012 3.188 -1.958 1.00 4.07 H new ATOM 2086 N GLY B 164 10.352 0.775 -0.739 1.00 2.12 N ATOM 2087 CA GLY B 164 9.882 -0.094 0.309 1.00 2.11 C ATOM 2088 C GLY B 164 8.693 0.453 1.136 1.00 1.92 C ATOM 2089 O GLY B 164 8.367 -0.139 2.165 1.00 2.20 O ATOM 0 H GLY B 164 9.668 0.938 -1.478 1.00 2.12 H new ATOM 0 HA2 GLY B 164 9.588 -1.045 -0.134 1.00 2.11 H new ATOM 0 HA3 GLY B 164 10.710 -0.301 0.987 1.00 2.11 H new ATOM 2093 N GLY B 165 8.053 1.549 0.746 1.00 1.61 N ATOM 2094 CA GLY B 165 6.947 2.049 1.564 1.00 1.60 C ATOM 2095 C GLY B 165 5.547 1.785 1.037 1.00 1.42 C ATOM 2096 O GLY B 165 5.276 1.913 -0.156 1.00 1.62 O ATOM 0 H GLY B 165 8.265 2.090 -0.092 1.00 1.61 H new ATOM 0 HA2 GLY B 165 7.028 1.606 2.557 1.00 1.60 H new ATOM 0 HA3 GLY B 165 7.070 3.125 1.684 1.00 1.60 H new ATOM 2100 N ARG B 166 4.665 1.435 1.988 1.00 1.16 N ATOM 2101 CA ARG B 166 3.251 1.168 1.746 1.00 1.03 C ATOM 2102 C ARG B 166 2.418 2.378 2.165 1.00 0.95 C ATOM 2103 O ARG B 166 2.887 3.178 2.973 1.00 1.04 O ATOM 2104 CB ARG B 166 2.746 -0.101 2.446 1.00 1.08 C ATOM 2105 CG ARG B 166 3.289 -0.282 3.850 1.00 1.23 C ATOM 2106 CD ARG B 166 3.953 -1.637 4.019 1.00 1.39 C ATOM 2107 NE ARG B 166 5.113 -1.789 3.143 1.00 1.79 N ATOM 2108 CZ ARG B 166 6.072 -2.695 3.325 1.00 2.31 C ATOM 2109 NH1 ARG B 166 6.016 -3.541 4.346 1.00 2.54 N ATOM 2110 NH2 ARG B 166 7.091 -2.755 2.480 1.00 3.05 N ATOM 0 H ARG B 166 4.929 1.329 2.968 1.00 1.16 H new ATOM 0 HA ARG B 166 3.138 0.991 0.676 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.657 -0.073 2.488 1.00 1.08 H new ATOM 0 HB3 ARG B 166 3.019 -0.969 1.846 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.009 0.507 4.067 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.478 -0.181 4.571 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.263 -1.763 5.056 1.00 1.39 H new ATOM 0 HD3 ARG B 166 3.231 -2.425 3.805 1.00 1.39 H new ATOM 0 HE ARG B 166 5.193 -1.162 2.342 1.00 1.79 H new ATOM 0 HH11 ARG B 166 5.234 -3.501 4.999 1.00 2.54 H new ATOM 0 HH12 ARG B 166 6.755 -4.232 4.477 1.00 2.54 H new ATOM 0 HH21 ARG B 166 7.139 -2.108 1.693 1.00 3.05 H new ATOM 0 HH22 ARG B 166 7.827 -3.448 2.617 1.00 3.05 H new ATOM 2124 N CYS B 167 1.200 2.566 1.618 1.00 0.87 N ATOM 2125 CA CYS B 167 0.412 3.715 1.988 1.00 0.88 C ATOM 2126 C CYS B 167 0.318 3.776 3.487 1.00 0.88 C ATOM 2127 O CYS B 167 -0.439 3.030 4.105 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.004 3.605 1.402 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.257 4.495 -0.170 1.00 1.56 S ATOM 0 H CYS B 167 0.766 1.943 0.937 1.00 0.87 H new ATOM 0 HA CYS B 167 0.887 4.615 1.598 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.236 2.551 1.247 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.715 3.984 2.136 1.00 0.94 H new ATOM 2134 N ALA B 168 1.040 4.707 4.066 1.00 0.90 N ATOM 2135 CA ALA B 168 0.976 4.873 5.487 1.00 0.95 C ATOM 2136 C ALA B 168 -0.272 5.645 5.771 1.00 0.96 C ATOM 2137 O ALA B 168 -0.844 5.562 6.861 1.00 1.04 O ATOM 2138 CB ALA B 168 2.203 5.594 6.029 1.00 0.96 C ATOM 0 H ALA B 168 1.667 5.348 3.579 1.00 0.90 H new ATOM 0 HA ALA B 168 0.959 3.902 5.983 1.00 0.95 H new ATOM 0 HB1 ALA B 168 2.115 5.700 7.110 1.00 0.96 H new ATOM 0 HB2 ALA B 168 3.098 5.018 5.792 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.276 6.581 5.573 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.668 6.453 4.784 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.821 7.321 4.892 1.00 0.94 C ATOM 2146 C ALA B 169 -2.227 7.779 3.474 1.00 0.91 C ATOM 2147 O ALA B 169 -1.364 8.088 2.656 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.445 8.538 5.713 1.00 0.98 C ATOM 0 H ALA B 169 -0.188 6.516 3.886 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.647 6.793 5.368 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.308 9.199 5.800 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.128 8.223 6.707 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.629 9.069 5.223 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.527 7.831 3.209 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.083 8.266 1.909 1.00 1.00 C ATOM 2156 C ALA B 170 -3.040 8.400 0.780 1.00 1.04 C ATOM 2157 O ALA B 170 -2.144 7.565 0.640 1.00 1.25 O ATOM 2158 CB ALA B 170 -4.844 9.575 2.109 1.00 1.15 C ATOM 0 H ALA B 170 -4.242 7.572 3.889 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.755 7.477 1.572 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.258 9.904 1.156 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.654 9.420 2.822 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.164 10.336 2.492 1.00 1.15 H new ATOM 2164 N GLY B 171 -3.196 9.457 -0.023 1.00 1.15 N ATOM 2165 CA GLY B 171 -2.324 9.730 -1.143 1.00 1.28 C ATOM 2166 C GLY B 171 -0.843 9.868 -0.810 1.00 1.22 C ATOM 2167 O GLY B 171 -0.143 10.602 -1.494 1.00 1.29 O ATOM 0 H GLY B 171 -3.939 10.145 0.096 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -2.440 8.929 -1.874 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.657 10.650 -1.623 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.394 9.356 0.325 1.00 1.13 N ATOM 2172 CA ILE B 172 1.000 9.519 0.736 1.00 1.09 C ATOM 2173 C ILE B 172 1.598 8.142 1.088 1.00 1.02 C ATOM 2174 O ILE B 172 1.338 7.555 2.149 1.00 1.34 O ATOM 2175 CB ILE B 172 1.111 10.529 1.873 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.553 9.968 3.156 1.00 1.09 C ATOM 2177 CG2 ILE B 172 0.406 11.815 1.497 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.651 9.502 4.036 1.00 0.91 C ATOM 0 H ILE B 172 -0.969 8.825 0.979 1.00 1.13 H new ATOM 0 HA ILE B 172 1.586 9.926 -0.088 1.00 1.09 H new ATOM 0 HB ILE B 172 2.167 10.744 2.039 1.00 1.53 H new ATOM 0 HG12 ILE B 172 -0.034 10.730 3.669 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.121 9.140 2.936 1.00 1.09 H new ATOM 0 HG21 ILE B 172 0.491 12.529 2.316 1.00 2.27 H new ATOM 0 HG22 ILE B 172 0.865 12.233 0.601 1.00 2.27 H new ATOM 0 HG23 ILE B 172 -0.647 11.609 1.303 1.00 2.27 H new ATOM 0 HD11 ILE B 172 1.232 9.100 4.958 1.00 0.91 H new ATOM 0 HD12 ILE B 172 2.220 8.725 3.527 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.309 10.339 4.271 1.00 0.91 H new ATOM 2190 N CYS B 173 2.340 7.606 0.126 1.00 0.81 N ATOM 2191 CA CYS B 173 2.938 6.280 0.219 1.00 1.04 C ATOM 2192 C CYS B 173 4.381 6.340 0.726 1.00 1.06 C ATOM 2193 O CYS B 173 5.298 6.694 -0.021 1.00 1.19 O ATOM 2194 CB CYS B 173 2.858 5.663 -1.177 1.00 1.17 C ATOM 2195 SG CYS B 173 3.910 4.218 -1.466 1.00 1.94 S ATOM 0 H CYS B 173 2.546 8.086 -0.750 1.00 0.81 H new ATOM 0 HA CYS B 173 2.400 5.669 0.943 1.00 1.04 H new ATOM 0 HB2 CYS B 173 1.823 5.379 -1.368 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.118 6.429 -1.907 1.00 1.17 H new ATOM 2200 N CYS B 174 4.580 6.001 2.005 1.00 0.97 N ATOM 2201 CA CYS B 174 5.914 6.043 2.591 1.00 0.99 C ATOM 2202 C CYS B 174 6.293 4.761 3.325 1.00 1.16 C ATOM 2203 O CYS B 174 5.495 3.830 3.468 1.00 1.35 O ATOM 2204 CB CYS B 174 6.071 7.226 3.561 1.00 1.12 C ATOM 2205 SG CYS B 174 4.712 8.438 3.532 1.00 1.26 S ATOM 0 H CYS B 174 3.843 5.699 2.642 1.00 0.97 H new ATOM 0 HA CYS B 174 6.588 6.163 1.743 1.00 0.99 H new ATOM 0 HB2 CYS B 174 6.166 6.835 4.574 1.00 1.12 H new ATOM 0 HB3 CYS B 174 7.003 7.743 3.331 1.00 1.12 H new ATOM 2210 N SER B 175 7.540 4.764 3.799 1.00 1.15 N ATOM 2211 CA SER B 175 8.131 3.665 4.560 1.00 1.38 C ATOM 2212 C SER B 175 8.941 4.254 5.711 1.00 1.29 C ATOM 2213 O SER B 175 9.004 5.475 5.850 1.00 1.12 O ATOM 2214 CB SER B 175 9.029 2.812 3.660 1.00 1.48 C ATOM 2215 OG SER B 175 9.987 3.603 2.988 1.00 2.00 O ATOM 0 H SER B 175 8.179 5.547 3.661 1.00 1.15 H new ATOM 0 HA SER B 175 7.342 3.023 4.952 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.536 2.056 4.260 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.417 2.282 2.931 1.00 1.48 H new ATOM 0 HG SER B 175 10.546 3.030 2.423 1.00 2.00 H new ATOM 2221 N PRO B 176 9.596 3.429 6.550 1.00 1.49 N ATOM 2222 CA PRO B 176 10.403 3.946 7.650 1.00 1.45 C ATOM 2223 C PRO B 176 11.757 4.457 7.160 1.00 1.20 C ATOM 2224 O PRO B 176 12.751 4.415 7.882 1.00 1.25 O ATOM 2225 CB PRO B 176 10.581 2.730 8.554 1.00 1.77 C ATOM 2226 CG PRO B 176 10.542 1.568 7.624 1.00 1.90 C ATOM 2227 CD PRO B 176 9.622 1.954 6.496 1.00 1.81 C ATOM 0 HA PRO B 176 9.936 4.794 8.151 1.00 1.45 H new ATOM 0 HB2 PRO B 176 11.525 2.773 9.097 1.00 1.77 H new ATOM 0 HB3 PRO B 176 9.788 2.669 9.299 1.00 1.77 H new ATOM 0 HG2 PRO B 176 11.539 1.337 7.250 1.00 1.90 H new ATOM 0 HG3 PRO B 176 10.178 0.676 8.133 1.00 1.90 H new ATOM 0 HD2 PRO B 176 9.994 1.596 5.536 1.00 1.81 H new ATOM 0 HD3 PRO B 176 8.626 1.531 6.630 1.00 1.81 H new ATOM 2235 N ASP B 177 11.773 4.942 5.919 1.00 1.01 N ATOM 2236 CA ASP B 177 12.979 5.471 5.302 1.00 0.92 C ATOM 2237 C ASP B 177 12.648 6.650 4.381 1.00 0.83 C ATOM 2238 O ASP B 177 13.440 7.587 4.265 1.00 0.90 O ATOM 2239 CB ASP B 177 13.691 4.373 4.506 1.00 1.18 C ATOM 2240 CG ASP B 177 14.861 3.776 5.261 1.00 1.96 C ATOM 2241 OD1 ASP B 177 15.917 4.438 5.339 1.00 2.51 O ATOM 2242 OD2 ASP B 177 14.723 2.644 5.772 1.00 2.72 O ATOM 0 H ASP B 177 10.950 4.977 5.318 1.00 1.01 H new ATOM 0 HA ASP B 177 13.639 5.825 6.094 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.979 3.584 4.263 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.045 4.785 3.561 1.00 1.18 H new ATOM 2247 N GLY B 178 11.478 6.594 3.733 1.00 0.89 N ATOM 2248 CA GLY B 178 11.071 7.662 2.841 1.00 0.87 C ATOM 2249 C GLY B 178 9.571 7.703 2.602 1.00 0.85 C ATOM 2250 O GLY B 178 8.817 6.974 3.242 1.00 0.99 O ATOM 0 H GLY B 178 10.811 5.827 3.814 1.00 0.89 H new ATOM 0 HA2 GLY B 178 11.392 8.617 3.257 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.582 7.543 1.885 1.00 0.87 H new ATOM 2254 N CYS B 179 9.151 8.556 1.664 1.00 0.78 N ATOM 2255 CA CYS B 179 7.735 8.709 1.314 1.00 0.79 C ATOM 2256 C CYS B 179 7.581 9.066 -0.161 1.00 0.77 C ATOM 2257 O CYS B 179 8.528 9.539 -0.783 1.00 0.88 O ATOM 2258 CB CYS B 179 7.087 9.790 2.185 1.00 0.92 C ATOM 2259 SG CYS B 179 5.267 9.798 2.127 1.00 1.34 S ATOM 0 H CYS B 179 9.778 9.157 1.128 1.00 0.78 H new ATOM 0 HA CYS B 179 7.233 7.759 1.496 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.406 9.649 3.218 1.00 0.92 H new ATOM 0 HB3 CYS B 179 7.454 10.766 1.868 1.00 0.92 H new ATOM 2264 N HIS B 180 6.391 8.850 -0.734 1.00 0.70 N ATOM 2265 CA HIS B 180 6.192 9.169 -2.148 1.00 0.75 C ATOM 2266 C HIS B 180 4.727 9.448 -2.461 1.00 0.69 C ATOM 2267 O HIS B 180 3.831 8.836 -1.880 1.00 0.66 O ATOM 2268 CB HIS B 180 6.689 8.001 -3.006 1.00 0.89 C ATOM 2269 CG HIS B 180 7.186 8.404 -4.360 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.473 8.163 -4.790 1.00 1.60 N ATOM 2271 CD2 HIS B 180 6.560 9.026 -5.386 1.00 1.70 C ATOM 2272 CE1 HIS B 180 8.618 8.619 -6.019 1.00 2.03 C ATOM 2273 NE2 HIS B 180 7.472 9.148 -6.405 1.00 2.10 N ATOM 0 H HIS B 180 5.575 8.467 -0.256 1.00 0.70 H new ATOM 0 HA HIS B 180 6.759 10.072 -2.376 1.00 0.75 H new ATOM 0 HB2 HIS B 180 7.491 7.489 -2.474 1.00 0.89 H new ATOM 0 HB3 HIS B 180 5.878 7.283 -3.128 1.00 0.89 H new ATOM 0 HD2 HIS B 180 5.534 9.364 -5.401 1.00 1.70 H new ATOM 0 HE1 HIS B 180 9.521 8.568 -6.609 1.00 2.03 H new ATOM 0 HE2 HIS B 180 7.293 9.578 -7.313 1.00 2.10 H new ATOM 2282 N GLU B 181 4.488 10.365 -3.396 1.00 0.75 N ATOM 2283 CA GLU B 181 3.131 10.696 -3.795 1.00 0.77 C ATOM 2284 C GLU B 181 2.480 9.478 -4.433 1.00 0.73 C ATOM 2285 O GLU B 181 3.084 8.812 -5.271 1.00 0.94 O ATOM 2286 CB GLU B 181 3.132 11.877 -4.771 1.00 0.93 C ATOM 2287 CG GLU B 181 2.830 13.208 -4.107 1.00 1.69 C ATOM 2288 CD GLU B 181 3.548 14.370 -4.765 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.196 14.713 -5.912 1.00 3.06 O ATOM 2290 OE2 GLU B 181 4.463 14.937 -4.131 1.00 2.69 O ATOM 0 H GLU B 181 5.215 10.887 -3.886 1.00 0.75 H new ATOM 0 HA GLU B 181 2.559 10.987 -2.914 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.105 11.935 -5.258 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.395 11.694 -5.552 1.00 0.93 H new ATOM 0 HG2 GLU B 181 1.755 13.388 -4.136 1.00 1.69 H new ATOM 0 HG3 GLU B 181 3.116 13.158 -3.057 1.00 1.69 H new ATOM 2297 N ASP B 182 1.258 9.175 -4.018 1.00 0.77 N ATOM 2298 CA ASP B 182 0.547 8.013 -4.547 1.00 0.79 C ATOM 2299 C ASP B 182 -0.950 8.328 -4.732 1.00 0.97 C ATOM 2300 O ASP B 182 -1.619 8.742 -3.787 1.00 1.22 O ATOM 2301 CB ASP B 182 0.791 6.816 -3.606 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.199 6.711 -2.459 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -1.349 6.292 -2.703 1.00 2.06 O ATOM 2304 OD2 ASP B 182 0.187 7.030 -1.314 1.00 1.88 O ATOM 0 H ASP B 182 0.739 9.711 -3.322 1.00 0.77 H new ATOM 0 HA ASP B 182 0.926 7.754 -5.536 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.752 5.896 -4.190 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.798 6.891 -3.196 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.490 8.179 -5.970 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.893 8.489 -6.277 1.00 1.41 C ATOM 2311 C PRO B 183 -3.867 7.357 -5.947 1.00 1.28 C ATOM 2312 O PRO B 183 -5.081 7.560 -5.954 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.887 8.743 -7.798 1.00 1.79 C ATOM 2314 CG PRO B 183 -1.481 8.510 -8.262 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.784 7.739 -7.177 1.00 1.41 C ATOM 0 HA PRO B 183 -3.237 9.331 -5.676 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.580 8.072 -8.306 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -3.206 9.761 -8.023 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -1.471 7.953 -9.199 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.974 9.457 -8.449 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.868 6.663 -7.326 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.280 7.973 -7.133 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.342 6.167 -5.682 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.189 5.023 -5.366 1.00 1.18 C ATOM 2325 C ALA B 184 -4.966 5.242 -4.072 1.00 1.22 C ATOM 2326 O ALA B 184 -6.127 4.847 -3.958 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.352 3.758 -5.266 1.00 1.21 C ATOM 0 H ALA B 184 -2.341 5.969 -5.679 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.911 4.912 -6.175 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.998 2.912 -5.030 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.851 3.577 -6.217 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.607 3.876 -4.480 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.311 5.861 -3.100 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.920 6.129 -1.802 1.00 1.23 C ATOM 2335 C CYS B 185 -5.518 7.541 -1.743 1.00 1.50 C ATOM 2336 O CYS B 185 -5.409 8.234 -0.733 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.865 5.947 -0.710 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.239 4.242 -0.550 1.00 1.46 S ATOM 0 H CYS B 185 -3.349 6.190 -3.186 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.738 5.426 -1.645 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -3.026 6.612 -0.917 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -4.290 6.257 0.245 1.00 1.19 H new ATOM 2343 N ASP B 186 -6.127 7.958 -2.852 1.00 1.54 N ATOM 2344 CA ASP B 186 -6.734 9.285 -2.988 1.00 1.92 C ATOM 2345 C ASP B 186 -8.011 9.502 -2.165 1.00 1.82 C ATOM 2346 O ASP B 186 -8.253 10.615 -1.706 1.00 2.28 O ATOM 2347 CB ASP B 186 -7.038 9.581 -4.451 1.00 2.44 C ATOM 2348 CG ASP B 186 -6.348 10.838 -4.938 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -5.120 10.794 -5.165 1.00 3.49 O ATOM 2350 OD2 ASP B 186 -7.034 11.871 -5.086 1.00 3.61 O ATOM 0 H ASP B 186 -6.215 7.381 -3.689 1.00 1.54 H new ATOM 0 HA ASP B 186 -5.989 9.973 -2.588 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -6.723 8.736 -5.063 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -8.115 9.686 -4.582 1.00 2.44 H new