USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=13 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 33:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -168:sc= 0.307 USER MOD Single : A 38 THR OG1 : rot 118:sc= -2.83! 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= 0.048 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-3.5!) USER MOD Single : B 110 CYS SG : rot 33:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot -174:sc= 0.524 USER MOD Single : B 138 THR OG1 : rot 0:sc= -3.01! 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+ 179:sc= 0 (180deg=-0.00254) USER MOD Single : B 163 SER OG : rot 180:sc= 0.0246 USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HD1:sc= -0.793 K(o=-0.79,f=-2) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 12.229 32.193 0.462 1.00 2.54 N ATOM 146 CA CYS A 10 11.703 30.833 0.364 1.00 1.93 C ATOM 147 C CYS A 10 10.173 30.756 0.453 1.00 1.72 C ATOM 148 O CYS A 10 9.616 31.015 1.521 1.00 1.97 O ATOM 149 CB CYS A 10 12.357 29.954 1.423 1.00 2.28 C ATOM 150 SG CYS A 10 14.087 29.525 1.033 1.00 2.68 S ATOM 0 HA CYS A 10 11.955 30.465 -0.630 1.00 1.93 H new ATOM 0 HB2 CYS A 10 12.325 30.468 2.383 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.778 29.037 1.533 1.00 2.28 H new ATOM 0 HG CYS A 10 14.647 30.512 0.399 1.00 2.68 H new ATOM 155 N LEU A 11 9.500 30.369 -0.650 1.00 1.49 N ATOM 156 CA LEU A 11 8.020 30.207 -0.688 1.00 1.39 C ATOM 157 C LEU A 11 7.446 29.676 0.644 1.00 1.20 C ATOM 158 O LEU A 11 7.726 28.531 1.026 1.00 1.16 O ATOM 159 CB LEU A 11 7.613 29.276 -1.830 1.00 1.55 C ATOM 160 CG LEU A 11 6.125 29.308 -2.186 1.00 1.91 C ATOM 161 CD1 LEU A 11 5.770 30.611 -2.884 1.00 2.48 C ATOM 162 CD2 LEU A 11 5.760 28.117 -3.058 1.00 2.29 C ATOM 0 H LEU A 11 9.957 30.160 -1.537 1.00 1.49 H new ATOM 0 HA LEU A 11 7.601 31.200 -0.854 1.00 1.39 H new ATOM 0 HB2 LEU A 11 8.190 29.538 -2.717 1.00 1.55 H new ATOM 0 HB3 LEU A 11 7.886 28.255 -1.563 1.00 1.55 H new ATOM 0 HG LEU A 11 5.549 29.247 -1.263 1.00 1.91 H new ATOM 0 HD11 LEU A 11 4.708 30.615 -3.129 1.00 2.48 H new ATOM 0 HD12 LEU A 11 5.993 31.450 -2.224 1.00 2.48 H new ATOM 0 HD13 LEU A 11 6.354 30.704 -3.800 1.00 2.48 H new ATOM 0 HD21 LEU A 11 4.698 28.156 -3.301 1.00 2.29 H new ATOM 0 HD22 LEU A 11 6.344 28.147 -3.978 1.00 2.29 H new ATOM 0 HD23 LEU A 11 5.975 27.193 -2.521 1.00 2.29 H new ATOM 174 N PRO A 12 6.675 30.510 1.387 1.00 1.19 N ATOM 175 CA PRO A 12 6.122 30.134 2.700 1.00 1.11 C ATOM 176 C PRO A 12 4.765 29.398 2.704 1.00 1.01 C ATOM 177 O PRO A 12 3.895 29.673 1.881 1.00 1.05 O ATOM 178 CB PRO A 12 5.950 31.499 3.359 1.00 1.29 C ATOM 179 CG PRO A 12 5.555 32.394 2.239 1.00 1.49 C ATOM 180 CD PRO A 12 6.332 31.913 1.041 1.00 1.39 C ATOM 0 HA PRO A 12 6.780 29.415 3.188 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.187 31.473 4.137 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.874 31.834 3.830 1.00 1.29 H new ATOM 0 HG2 PRO A 12 4.482 32.343 2.056 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.790 33.434 2.467 1.00 1.49 H new ATOM 0 HD2 PRO A 12 5.737 31.967 0.129 1.00 1.39 H new ATOM 0 HD3 PRO A 12 7.225 32.515 0.875 1.00 1.39 H new ATOM 188 N CYS A 13 4.609 28.447 3.656 1.00 0.93 N ATOM 189 CA CYS A 13 3.386 27.678 3.812 1.00 0.89 C ATOM 190 C CYS A 13 3.192 27.302 5.292 1.00 0.90 C ATOM 191 O CYS A 13 3.947 27.739 6.168 1.00 1.00 O ATOM 192 CB CYS A 13 3.443 26.401 2.943 1.00 0.82 C ATOM 193 SG CYS A 13 4.701 25.169 3.467 1.00 0.86 S ATOM 0 H CYS A 13 5.336 28.204 4.329 1.00 0.93 H new ATOM 0 HA CYS A 13 2.542 28.285 3.485 1.00 0.89 H new ATOM 0 HB2 CYS A 13 2.462 25.926 2.955 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.645 26.689 1.911 1.00 0.82 H new ATOM 198 N GLY A 14 2.215 26.425 5.535 1.00 0.91 N ATOM 199 CA GLY A 14 1.952 25.915 6.873 1.00 0.98 C ATOM 200 C GLY A 14 1.247 26.883 7.809 1.00 1.10 C ATOM 201 O GLY A 14 0.657 27.868 7.362 1.00 1.15 O ATOM 0 H GLY A 14 1.593 26.055 4.816 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.347 25.012 6.788 1.00 0.98 H new ATOM 0 HA3 GLY A 14 2.900 25.623 7.325 1.00 0.98 H new ATOM 205 N PRO A 15 1.319 26.635 9.140 1.00 1.19 N ATOM 206 CA PRO A 15 0.717 27.494 10.171 1.00 1.33 C ATOM 207 C PRO A 15 1.359 28.863 10.196 1.00 1.40 C ATOM 208 O PRO A 15 2.472 29.072 10.684 1.00 1.57 O ATOM 209 CB PRO A 15 1.019 26.741 11.453 1.00 1.46 C ATOM 210 CG PRO A 15 2.332 26.254 11.084 1.00 1.39 C ATOM 211 CD PRO A 15 2.056 25.548 9.801 1.00 1.21 C ATOM 0 HA PRO A 15 -0.345 27.674 10.006 1.00 1.33 H new ATOM 0 HB2 PRO A 15 1.034 27.384 12.333 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.308 25.940 11.656 1.00 1.46 H new ATOM 0 HG2 PRO A 15 3.047 27.067 10.956 1.00 1.39 H new ATOM 0 HG3 PRO A 15 2.744 25.583 11.838 1.00 1.39 H new ATOM 0 HD2 PRO A 15 2.962 25.260 9.268 1.00 1.21 H new ATOM 0 HD3 PRO A 15 1.461 24.644 9.930 1.00 1.21 H new ATOM 219 N GLY A 16 0.637 29.736 9.633 1.00 1.34 N ATOM 220 CA GLY A 16 1.031 31.098 9.513 1.00 1.47 C ATOM 221 C GLY A 16 1.868 31.351 8.310 1.00 1.43 C ATOM 222 O GLY A 16 2.137 32.515 7.992 1.00 1.68 O ATOM 0 H GLY A 16 -0.275 29.532 9.225 1.00 1.34 H new ATOM 0 HA2 GLY A 16 0.142 31.727 9.470 1.00 1.47 H new ATOM 0 HA3 GLY A 16 1.586 31.391 10.404 1.00 1.47 H new ATOM 226 N GLY A 17 2.155 30.308 7.530 1.00 1.28 N ATOM 227 CA GLY A 17 2.827 30.530 6.316 1.00 1.25 C ATOM 228 C GLY A 17 4.274 30.893 6.464 1.00 1.24 C ATOM 229 O GLY A 17 4.784 31.775 5.787 1.00 1.36 O ATOM 0 H GLY A 17 1.926 29.336 7.737 1.00 1.28 H new ATOM 0 HA2 GLY A 17 2.752 29.631 5.704 1.00 1.25 H new ATOM 0 HA3 GLY A 17 2.319 31.328 5.775 1.00 1.25 H new ATOM 233 N LYS A 18 4.929 30.170 7.364 1.00 1.18 N ATOM 234 CA LYS A 18 6.348 30.335 7.609 1.00 1.23 C ATOM 235 C LYS A 18 7.148 29.331 6.792 1.00 1.13 C ATOM 236 O LYS A 18 8.211 29.633 6.255 1.00 1.22 O ATOM 237 CB LYS A 18 6.717 30.112 9.086 1.00 1.28 C ATOM 238 CG LYS A 18 5.553 30.090 10.062 1.00 1.34 C ATOM 239 CD LYS A 18 5.791 31.049 11.215 1.00 1.73 C ATOM 240 CE LYS A 18 5.104 30.579 12.485 1.00 1.91 C ATOM 241 NZ LYS A 18 3.825 31.302 12.721 1.00 2.50 N ATOM 0 H LYS A 18 4.488 29.455 7.942 1.00 1.18 H new ATOM 0 HA LYS A 18 6.586 31.360 7.326 1.00 1.23 H new ATOM 0 HB2 LYS A 18 7.253 29.167 9.168 1.00 1.28 H new ATOM 0 HB3 LYS A 18 7.408 30.898 9.391 1.00 1.28 H new ATOM 0 HG2 LYS A 18 4.634 30.361 9.543 1.00 1.34 H new ATOM 0 HG3 LYS A 18 5.416 29.080 10.447 1.00 1.34 H new ATOM 0 HD2 LYS A 18 6.862 31.145 11.394 1.00 1.73 H new ATOM 0 HD3 LYS A 18 5.423 32.039 10.947 1.00 1.73 H new ATOM 0 HE2 LYS A 18 4.910 29.509 12.418 1.00 1.91 H new ATOM 0 HE3 LYS A 18 5.769 30.730 13.335 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 3.386 30.954 13.597 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 4.013 32.321 12.810 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 3.181 31.138 11.921 1.00 2.50 H new ATOM 255 N GLY A 19 6.626 28.114 6.747 1.00 1.02 N ATOM 256 CA GLY A 19 7.332 27.029 6.105 1.00 0.95 C ATOM 257 C GLY A 19 7.411 27.082 4.602 1.00 0.91 C ATOM 258 O GLY A 19 6.932 27.973 3.967 1.00 1.00 O ATOM 0 H GLY A 19 5.722 27.860 7.146 1.00 1.02 H new ATOM 0 HA2 GLY A 19 8.347 27.000 6.500 1.00 0.95 H new ATOM 0 HA3 GLY A 19 6.852 26.093 6.390 1.00 0.95 H new ATOM 262 N ARG A 20 8.242 26.213 4.112 1.00 0.86 N ATOM 263 CA ARG A 20 8.590 26.211 2.691 1.00 0.86 C ATOM 264 C ARG A 20 7.927 25.110 1.868 1.00 0.80 C ATOM 265 O ARG A 20 7.450 24.104 2.397 1.00 0.78 O ATOM 266 CB ARG A 20 10.084 26.183 2.551 1.00 0.94 C ATOM 267 CG ARG A 20 10.680 27.562 2.342 1.00 1.13 C ATOM 268 CD ARG A 20 11.519 27.972 3.537 1.00 1.55 C ATOM 269 NE ARG A 20 12.666 27.085 3.710 1.00 1.82 N ATOM 270 CZ ARG A 20 13.861 27.481 4.143 1.00 2.25 C ATOM 271 NH1 ARG A 20 14.071 28.746 4.488 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.850 26.603 4.236 1.00 2.92 N ATOM 0 H ARG A 20 8.702 25.488 4.662 1.00 0.86 H new ATOM 0 HA ARG A 20 8.187 27.132 2.269 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.520 25.735 3.444 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.354 25.544 1.710 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.295 27.565 1.442 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.882 28.288 2.186 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.866 28.997 3.406 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.905 27.956 4.438 1.00 1.55 H new ATOM 0 HE ARG A 20 12.544 26.098 3.484 1.00 1.82 H new ATOM 0 HH11 ARG A 20 13.313 29.425 4.423 1.00 2.59 H new ATOM 0 HH12 ARG A 20 14.991 29.039 4.818 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.693 25.629 3.976 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.767 26.901 4.567 1.00 2.92 H new ATOM 286 N CYS A 21 7.908 25.330 0.549 1.00 0.82 N ATOM 287 CA CYS A 21 7.307 24.381 -0.389 1.00 0.81 C ATOM 288 C CYS A 21 8.370 23.630 -1.187 1.00 0.84 C ATOM 289 O CYS A 21 9.341 24.216 -1.668 1.00 1.04 O ATOM 290 CB CYS A 21 6.385 25.108 -1.372 1.00 0.91 C ATOM 291 SG CYS A 21 4.686 25.343 -0.772 1.00 1.10 S ATOM 0 H CYS A 21 8.304 26.160 0.108 1.00 0.82 H new ATOM 0 HA CYS A 21 6.736 23.667 0.204 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.815 26.083 -1.601 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.353 24.546 -2.305 1.00 0.91 H new ATOM 296 N PHE A 22 8.157 22.326 -1.331 1.00 0.76 N ATOM 297 CA PHE A 22 9.066 21.462 -2.080 1.00 0.83 C ATOM 298 C PHE A 22 8.278 20.360 -2.793 1.00 0.94 C ATOM 299 O PHE A 22 8.810 19.290 -3.089 1.00 1.43 O ATOM 300 CB PHE A 22 10.104 20.841 -1.143 1.00 0.85 C ATOM 301 CG PHE A 22 11.110 21.826 -0.618 1.00 0.84 C ATOM 302 CD1 PHE A 22 12.261 22.110 -1.336 1.00 1.42 C ATOM 303 CD2 PHE A 22 10.906 22.466 0.594 1.00 1.40 C ATOM 304 CE1 PHE A 22 13.189 23.014 -0.855 1.00 1.50 C ATOM 305 CE2 PHE A 22 11.830 23.371 1.080 1.00 1.51 C ATOM 306 CZ PHE A 22 12.973 23.646 0.355 1.00 1.14 C ATOM 0 H PHE A 22 7.353 21.839 -0.934 1.00 0.76 H new ATOM 0 HA PHE A 22 9.584 22.066 -2.825 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.589 20.377 -0.301 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.629 20.046 -1.673 1.00 0.85 H new ATOM 0 HD1 PHE A 22 12.435 21.619 -2.282 1.00 1.42 H new ATOM 0 HD2 PHE A 22 10.014 22.255 1.165 1.00 1.40 H new ATOM 0 HE1 PHE A 22 14.082 23.226 -1.424 1.00 1.50 H new ATOM 0 HE2 PHE A 22 11.659 23.863 2.026 1.00 1.51 H new ATOM 0 HZ PHE A 22 13.696 24.353 0.733 1.00 1.14 H new ATOM 316 N GLY A 23 7.001 20.636 -3.050 1.00 0.83 N ATOM 317 CA GLY A 23 6.130 19.678 -3.709 1.00 0.88 C ATOM 318 C GLY A 23 4.679 19.886 -3.304 1.00 0.88 C ATOM 319 O GLY A 23 4.417 20.532 -2.290 1.00 0.90 O ATOM 0 H GLY A 23 6.550 21.519 -2.809 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.227 19.778 -4.790 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.440 18.665 -3.454 1.00 0.88 H new ATOM 323 N PRO A 24 3.698 19.366 -4.069 1.00 1.01 N ATOM 324 CA PRO A 24 2.281 19.544 -3.732 1.00 1.07 C ATOM 325 C PRO A 24 1.938 18.987 -2.350 1.00 0.96 C ATOM 326 O PRO A 24 1.564 19.738 -1.449 1.00 1.03 O ATOM 327 CB PRO A 24 1.542 18.770 -4.831 1.00 1.32 C ATOM 328 CG PRO A 24 2.519 18.667 -5.952 1.00 1.50 C ATOM 329 CD PRO A 24 3.875 18.586 -5.308 1.00 1.24 C ATOM 0 HA PRO A 24 2.005 20.597 -3.687 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.236 17.784 -4.482 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.638 19.293 -5.142 1.00 1.32 H new ATOM 0 HG2 PRO A 24 2.323 17.785 -6.562 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.450 19.532 -6.611 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.162 17.555 -5.099 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.651 19.010 -5.945 1.00 1.24 H new ATOM 337 N SER A 25 2.076 17.672 -2.181 1.00 0.97 N ATOM 338 CA SER A 25 1.788 17.033 -0.896 1.00 0.92 C ATOM 339 C SER A 25 3.046 16.986 -0.035 1.00 0.78 C ATOM 340 O SER A 25 3.324 15.983 0.613 1.00 0.81 O ATOM 341 CB SER A 25 1.235 15.606 -1.097 1.00 1.12 C ATOM 342 OG SER A 25 -0.166 15.632 -1.308 1.00 1.26 O ATOM 0 H SER A 25 2.384 17.031 -2.913 1.00 0.97 H new ATOM 0 HA SER A 25 1.028 17.627 -0.388 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.727 15.138 -1.950 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.464 14.996 -0.223 1.00 1.12 H new ATOM 0 HG SER A 25 -0.523 14.721 -1.248 1.00 1.26 H new ATOM 348 N ILE A 26 3.843 18.056 -0.063 1.00 0.70 N ATOM 349 CA ILE A 26 5.071 18.106 0.707 1.00 0.61 C ATOM 350 C ILE A 26 5.489 19.558 1.016 1.00 0.58 C ATOM 351 O ILE A 26 5.709 20.351 0.100 1.00 0.73 O ATOM 352 CB ILE A 26 6.232 17.364 0.006 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.754 16.145 -0.789 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.216 16.933 1.044 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.846 15.491 -1.610 1.00 0.83 C ATOM 0 H ILE A 26 3.654 18.895 -0.612 1.00 0.70 H new ATOM 0 HA ILE A 26 4.861 17.594 1.646 1.00 0.61 H new ATOM 0 HB ILE A 26 6.690 18.049 -0.707 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.341 15.410 -0.098 1.00 0.79 H new ATOM 0 HG13 ILE A 26 4.945 16.449 -1.453 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.042 16.407 0.566 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.598 17.809 1.569 1.00 0.74 H new ATOM 0 HG23 ILE A 26 6.726 16.268 1.756 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.435 14.635 -2.146 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.244 16.211 -2.326 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.646 15.156 -0.950 1.00 0.83 H new ATOM 367 N CYS A 27 5.610 19.898 2.307 1.00 0.56 N ATOM 368 CA CYS A 27 6.019 21.254 2.717 1.00 0.56 C ATOM 369 C CYS A 27 7.023 21.191 3.876 1.00 0.55 C ATOM 370 O CYS A 27 6.666 20.846 5.004 1.00 0.59 O ATOM 371 CB CYS A 27 4.800 22.105 3.135 1.00 0.60 C ATOM 372 SG CYS A 27 4.535 23.625 2.139 1.00 0.92 S ATOM 0 H CYS A 27 5.432 19.260 3.082 1.00 0.56 H new ATOM 0 HA CYS A 27 6.494 21.725 1.856 1.00 0.56 H new ATOM 0 HB2 CYS A 27 3.905 21.486 3.071 1.00 0.60 H new ATOM 0 HB3 CYS A 27 4.916 22.390 4.181 1.00 0.60 H new ATOM 377 N CYS A 28 8.279 21.547 3.586 1.00 0.56 N ATOM 378 CA CYS A 28 9.327 21.555 4.589 1.00 0.58 C ATOM 379 C CYS A 28 9.909 22.960 4.859 1.00 0.61 C ATOM 380 O CYS A 28 9.873 23.835 3.992 1.00 0.76 O ATOM 381 CB CYS A 28 10.519 20.647 4.195 1.00 0.65 C ATOM 382 SG CYS A 28 10.245 19.429 2.856 1.00 1.28 S ATOM 0 H CYS A 28 8.587 21.833 2.657 1.00 0.56 H new ATOM 0 HA CYS A 28 8.833 21.184 5.487 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.349 21.290 3.901 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.837 20.103 5.085 1.00 0.65 H new ATOM 387 N GLY A 29 10.485 23.159 6.087 1.00 0.62 N ATOM 388 CA GLY A 29 11.123 24.388 6.464 1.00 0.65 C ATOM 389 C GLY A 29 12.254 24.059 7.470 1.00 0.67 C ATOM 390 O GLY A 29 12.549 22.889 7.732 1.00 0.66 O ATOM 0 H GLY A 29 10.500 22.448 6.818 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.530 24.890 5.586 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.400 25.069 6.914 1.00 0.65 H new ATOM 394 N ASP A 30 12.872 25.088 8.003 1.00 0.72 N ATOM 395 CA ASP A 30 13.988 25.023 8.965 1.00 0.76 C ATOM 396 C ASP A 30 13.628 24.469 10.354 1.00 0.77 C ATOM 397 O ASP A 30 14.347 23.659 10.940 1.00 0.80 O ATOM 398 CB ASP A 30 14.584 26.419 9.126 1.00 0.84 C ATOM 399 CG ASP A 30 16.024 26.399 9.603 1.00 1.41 C ATOM 400 OD1 ASP A 30 16.249 26.210 10.818 1.00 2.27 O ATOM 401 OD2 ASP A 30 16.927 26.577 8.760 1.00 1.92 O ATOM 0 H ASP A 30 12.610 26.047 7.777 1.00 0.72 H new ATOM 0 HA ASP A 30 14.700 24.314 8.543 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.531 26.943 8.172 1.00 0.84 H new ATOM 0 HB3 ASP A 30 13.980 26.986 9.835 1.00 0.84 H new ATOM 406 N GLU A 31 12.487 24.902 10.825 1.00 0.78 N ATOM 407 CA GLU A 31 11.976 24.454 12.127 1.00 0.83 C ATOM 408 C GLU A 31 10.623 23.833 11.998 1.00 0.87 C ATOM 409 O GLU A 31 9.904 23.666 12.986 1.00 1.00 O ATOM 410 CB GLU A 31 11.922 25.580 13.170 1.00 0.90 C ATOM 411 CG GLU A 31 12.756 26.803 12.834 1.00 0.99 C ATOM 412 CD GLU A 31 13.271 27.514 14.072 1.00 1.14 C ATOM 413 OE1 GLU A 31 12.477 28.231 14.716 1.00 1.66 O ATOM 414 OE2 GLU A 31 14.466 27.351 14.397 1.00 1.64 O ATOM 0 H GLU A 31 11.883 25.564 10.339 1.00 0.78 H new ATOM 0 HA GLU A 31 12.687 23.707 12.479 1.00 0.83 H new ATOM 0 HB2 GLU A 31 10.884 25.889 13.296 1.00 0.90 H new ATOM 0 HB3 GLU A 31 12.255 25.183 14.129 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.601 26.503 12.213 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.157 27.496 12.244 1.00 0.99 H new ATOM 421 N LEU A 32 10.233 23.540 10.784 1.00 0.82 N ATOM 422 CA LEU A 32 8.990 22.988 10.485 1.00 0.88 C ATOM 423 C LEU A 32 9.209 21.644 9.795 1.00 0.82 C ATOM 424 O LEU A 32 8.258 20.899 9.565 1.00 0.90 O ATOM 425 CB LEU A 32 8.321 23.972 9.553 1.00 0.93 C ATOM 426 CG LEU A 32 7.036 24.600 10.071 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.854 25.996 9.489 1.00 1.24 C ATOM 428 CD2 LEU A 32 5.847 23.715 9.745 1.00 1.37 C ATOM 0 H LEU A 32 10.816 23.696 9.962 1.00 0.82 H new ATOM 0 HA LEU A 32 8.376 22.815 11.369 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.029 24.770 9.327 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.103 23.464 8.613 1.00 0.93 H new ATOM 0 HG LEU A 32 7.103 24.692 11.155 1.00 1.15 H new ATOM 0 HD11 LEU A 32 5.930 26.431 9.870 1.00 1.24 H new ATOM 0 HD12 LEU A 32 7.697 26.624 9.778 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.805 25.933 8.402 1.00 1.24 H new ATOM 0 HD21 LEU A 32 4.935 24.178 10.122 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.771 23.591 8.665 1.00 1.37 H new ATOM 0 HD23 LEU A 32 5.980 22.740 10.214 1.00 1.37 H new ATOM 440 N GLY A 33 10.482 21.332 9.479 1.00 0.73 N ATOM 441 CA GLY A 33 10.808 20.074 8.833 1.00 0.71 C ATOM 442 C GLY A 33 9.914 19.872 7.649 1.00 0.67 C ATOM 443 O GLY A 33 9.767 20.814 6.923 1.00 0.65 O ATOM 0 H GLY A 33 11.283 21.936 9.664 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.851 20.075 8.518 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.688 19.250 9.537 1.00 0.71 H new ATOM 447 N CYS A 34 9.338 18.695 7.404 1.00 0.70 N ATOM 448 CA CYS A 34 8.473 18.526 6.239 1.00 0.69 C ATOM 449 C CYS A 34 7.138 17.921 6.617 1.00 0.65 C ATOM 450 O CYS A 34 7.085 16.838 7.205 1.00 0.62 O ATOM 451 CB CYS A 34 9.140 17.715 5.147 1.00 0.73 C ATOM 452 SG CYS A 34 8.684 18.293 3.483 1.00 1.08 S ATOM 0 H CYS A 34 9.451 17.863 7.982 1.00 0.70 H new ATOM 0 HA CYS A 34 8.290 19.524 5.841 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.222 17.771 5.265 1.00 0.73 H new ATOM 0 HB3 CYS A 34 8.862 16.667 5.254 1.00 0.73 H new ATOM 457 N PHE A 35 6.056 18.547 6.152 1.00 0.68 N ATOM 458 CA PHE A 35 4.754 17.982 6.333 1.00 0.67 C ATOM 459 C PHE A 35 4.453 17.445 4.973 1.00 0.64 C ATOM 460 O PHE A 35 4.134 18.213 4.060 1.00 0.63 O ATOM 461 CB PHE A 35 3.709 19.044 6.712 1.00 0.69 C ATOM 462 CG PHE A 35 3.900 19.670 8.065 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.152 20.089 8.485 1.00 0.98 C ATOM 464 CD2 PHE A 35 2.817 19.853 8.911 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.319 20.678 9.726 1.00 1.21 C ATOM 466 CE2 PHE A 35 2.978 20.439 10.151 1.00 1.38 C ATOM 467 CZ PHE A 35 4.231 20.852 10.559 1.00 1.26 C ATOM 0 H PHE A 35 6.073 19.437 5.654 1.00 0.68 H new ATOM 0 HA PHE A 35 4.725 17.245 7.136 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.724 19.832 5.959 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.720 18.588 6.676 1.00 0.69 H new ATOM 0 HD1 PHE A 35 6.006 19.955 7.838 1.00 0.98 H new ATOM 0 HD2 PHE A 35 1.835 19.533 8.596 1.00 1.16 H new ATOM 0 HE1 PHE A 35 6.299 21.001 10.043 1.00 1.21 H new ATOM 0 HE2 PHE A 35 2.126 20.574 10.800 1.00 1.38 H new ATOM 0 HZ PHE A 35 4.360 21.311 11.528 1.00 1.26 H new ATOM 477 N VAL A 36 4.599 16.149 4.807 1.00 0.67 N ATOM 478 CA VAL A 36 4.386 15.581 3.509 1.00 0.68 C ATOM 479 C VAL A 36 2.949 15.119 3.373 1.00 0.71 C ATOM 480 O VAL A 36 2.539 14.011 3.768 1.00 0.74 O ATOM 481 CB VAL A 36 5.426 14.492 3.132 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.459 14.316 1.616 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.831 14.869 3.642 1.00 0.76 C ATOM 0 H VAL A 36 4.858 15.488 5.539 1.00 0.67 H new ATOM 0 HA VAL A 36 4.553 16.366 2.771 1.00 0.68 H new ATOM 0 HB VAL A 36 5.129 13.556 3.605 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.190 13.551 1.354 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.473 14.012 1.263 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.737 15.259 1.146 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.540 14.089 3.364 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.138 15.815 3.196 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.809 14.970 4.727 1.00 0.76 H new ATOM 493 N GLY A 37 2.187 16.043 2.820 1.00 0.71 N ATOM 494 CA GLY A 37 0.772 15.828 2.582 1.00 0.76 C ATOM 495 C GLY A 37 -0.084 16.098 3.795 1.00 0.72 C ATOM 496 O GLY A 37 -0.485 15.172 4.497 1.00 0.81 O ATOM 0 H GLY A 37 2.528 16.958 2.525 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.446 16.472 1.765 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.617 14.799 2.258 1.00 0.76 H new ATOM 500 N THR A 38 -0.366 17.369 4.037 1.00 0.68 N ATOM 501 CA THR A 38 -1.179 17.770 5.176 1.00 0.68 C ATOM 502 C THR A 38 -1.735 19.174 4.963 1.00 0.72 C ATOM 503 O THR A 38 -1.702 19.710 3.855 1.00 0.77 O ATOM 504 CB THR A 38 -0.315 17.772 6.448 1.00 0.72 C ATOM 505 OG1 THR A 38 0.777 18.665 6.302 1.00 0.77 O ATOM 506 CG2 THR A 38 0.254 16.420 6.812 1.00 0.76 C ATOM 0 H THR A 38 -0.043 18.144 3.458 1.00 0.68 H new ATOM 0 HA THR A 38 -2.004 17.065 5.280 1.00 0.68 H new ATOM 0 HB THR A 38 -0.991 18.080 7.245 1.00 0.72 H new ATOM 0 HG1 THR A 38 0.711 19.376 6.974 1.00 0.77 H new ATOM 0 HG21 THR A 38 0.850 16.509 7.720 1.00 0.76 H new ATOM 0 HG22 THR A 38 -0.561 15.716 6.980 1.00 0.76 H new ATOM 0 HG23 THR A 38 0.884 16.059 5.999 1.00 0.76 H new ATOM 514 N ALA A 39 -2.272 19.755 6.034 1.00 0.77 N ATOM 515 CA ALA A 39 -2.823 21.100 5.958 1.00 0.86 C ATOM 516 C ALA A 39 -1.701 22.073 5.586 1.00 0.82 C ATOM 517 O ALA A 39 -1.884 22.985 4.779 1.00 0.86 O ATOM 518 CB ALA A 39 -3.448 21.482 7.295 1.00 1.02 C ATOM 0 H ALA A 39 -2.336 19.319 6.954 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.602 21.142 5.196 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -3.858 22.490 7.230 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.246 20.780 7.537 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -2.687 21.449 8.075 1.00 1.02 H new ATOM 524 N GLU A 40 -0.534 21.841 6.184 1.00 0.78 N ATOM 525 CA GLU A 40 0.662 22.653 5.956 1.00 0.79 C ATOM 526 C GLU A 40 1.043 22.725 4.479 1.00 0.74 C ATOM 527 O GLU A 40 1.664 23.691 4.035 1.00 0.79 O ATOM 528 CB GLU A 40 1.831 22.044 6.735 1.00 0.82 C ATOM 529 CG GLU A 40 2.700 23.063 7.450 1.00 1.25 C ATOM 530 CD GLU A 40 4.012 23.314 6.733 1.00 1.55 C ATOM 531 OE1 GLU A 40 4.751 22.337 6.487 1.00 1.91 O ATOM 532 OE2 GLU A 40 4.302 24.487 6.418 1.00 2.32 O ATOM 0 H GLU A 40 -0.390 21.078 6.846 1.00 0.78 H new ATOM 0 HA GLU A 40 0.443 23.666 6.295 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.437 21.341 7.469 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.453 21.472 6.047 1.00 0.82 H new ATOM 0 HG2 GLU A 40 2.154 24.002 7.540 1.00 1.25 H new ATOM 0 HG3 GLU A 40 2.904 22.715 8.462 1.00 1.25 H new ATOM 539 N ALA A 41 0.660 21.705 3.726 1.00 0.70 N ATOM 540 CA ALA A 41 0.960 21.641 2.313 1.00 0.71 C ATOM 541 C ALA A 41 -0.161 22.249 1.514 1.00 0.78 C ATOM 542 O ALA A 41 0.069 22.776 0.446 1.00 0.87 O ATOM 543 CB ALA A 41 1.193 20.203 1.877 1.00 0.77 C ATOM 0 H ALA A 41 0.136 20.905 4.079 1.00 0.70 H new ATOM 0 HA ALA A 41 1.872 22.209 2.131 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.417 20.178 0.811 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.032 19.785 2.434 1.00 0.77 H new ATOM 0 HB3 ALA A 41 0.297 19.614 2.073 1.00 0.77 H new ATOM 549 N LEU A 42 -1.395 22.068 1.976 1.00 0.81 N ATOM 550 CA LEU A 42 -2.579 22.524 1.243 1.00 0.94 C ATOM 551 C LEU A 42 -2.430 23.873 0.567 1.00 1.05 C ATOM 552 O LEU A 42 -2.632 23.966 -0.645 1.00 1.23 O ATOM 553 CB LEU A 42 -3.809 22.517 2.158 1.00 0.98 C ATOM 554 CG LEU A 42 -4.625 21.221 2.160 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.508 21.152 3.398 1.00 1.11 C ATOM 556 CD2 LEU A 42 -5.469 21.122 0.899 1.00 1.16 C ATOM 0 H LEU A 42 -1.605 21.606 2.861 1.00 0.81 H new ATOM 0 HA LEU A 42 -2.709 21.808 0.431 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.482 22.721 3.178 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -4.464 23.337 1.863 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.935 20.378 2.180 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.082 20.225 3.385 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.885 21.180 4.292 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -6.191 22.001 3.405 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -6.042 20.195 0.917 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -6.152 21.970 0.851 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -4.819 21.130 0.024 1.00 1.16 H new ATOM 568 N ARG A 43 -2.051 24.909 1.302 1.00 1.04 N ATOM 569 CA ARG A 43 -1.857 26.223 0.674 1.00 1.23 C ATOM 570 C ARG A 43 -0.878 26.100 -0.485 1.00 1.24 C ATOM 571 O ARG A 43 -0.850 26.947 -1.373 1.00 1.46 O ATOM 572 CB ARG A 43 -1.380 27.285 1.686 1.00 1.32 C ATOM 573 CG ARG A 43 -0.665 26.734 2.918 1.00 1.34 C ATOM 574 CD ARG A 43 -1.643 26.362 4.027 1.00 1.50 C ATOM 575 NE ARG A 43 -2.683 27.377 4.217 1.00 1.88 N ATOM 576 CZ ARG A 43 -3.985 27.103 4.330 1.00 2.20 C ATOM 577 NH1 ARG A 43 -4.416 25.846 4.301 1.00 2.39 N ATOM 578 NH2 ARG A 43 -4.858 28.090 4.478 1.00 2.92 N ATOM 0 H ARG A 43 -1.874 24.877 2.306 1.00 1.04 H new ATOM 0 HA ARG A 43 -2.822 26.560 0.295 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.709 27.975 1.175 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -2.243 27.864 2.015 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -0.084 25.856 2.637 1.00 1.34 H new ATOM 0 HG3 ARG A 43 0.040 27.477 3.291 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -2.111 25.406 3.790 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -1.096 26.227 4.960 1.00 1.50 H new ATOM 0 HE ARG A 43 -2.394 28.354 4.266 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -3.750 25.081 4.192 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -5.412 25.646 4.388 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -4.535 29.057 4.505 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -5.853 27.882 4.564 1.00 2.92 H new ATOM 592 N CYS A 44 -0.038 25.064 -0.430 1.00 1.08 N ATOM 593 CA CYS A 44 0.990 24.873 -1.470 1.00 1.15 C ATOM 594 C CYS A 44 0.395 24.478 -2.831 1.00 1.41 C ATOM 595 O CYS A 44 1.091 24.008 -3.720 1.00 1.57 O ATOM 596 CB CYS A 44 2.051 23.874 -1.042 1.00 1.04 C ATOM 597 SG CYS A 44 3.620 24.070 -1.937 1.00 1.28 S ATOM 0 H CYS A 44 -0.043 24.356 0.304 1.00 1.08 H new ATOM 0 HA CYS A 44 1.467 25.845 -1.596 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.234 23.983 0.027 1.00 1.04 H new ATOM 0 HB3 CYS A 44 1.674 22.863 -1.199 1.00 1.04 H new ATOM 602 N GLN A 45 -0.885 24.728 -2.953 1.00 1.55 N ATOM 603 CA GLN A 45 -1.583 24.474 -4.217 1.00 1.86 C ATOM 604 C GLN A 45 -1.194 25.582 -5.204 1.00 2.09 C ATOM 605 O GLN A 45 -1.125 25.381 -6.429 1.00 2.35 O ATOM 606 CB GLN A 45 -3.095 24.386 -4.070 1.00 1.97 C ATOM 607 CG GLN A 45 -3.758 23.662 -5.236 1.00 2.40 C ATOM 608 CD GLN A 45 -5.047 24.324 -5.674 1.00 2.73 C ATOM 609 OE1 GLN A 45 -5.117 24.932 -6.742 1.00 3.31 O ATOM 610 NE2 GLN A 45 -6.076 24.211 -4.845 1.00 3.02 N ATOM 0 H GLN A 45 -1.472 25.104 -2.208 1.00 1.55 H new ATOM 0 HA GLN A 45 -1.275 23.496 -4.585 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -3.336 23.868 -3.142 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -3.507 25.392 -3.990 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -3.067 23.628 -6.078 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -3.963 22.630 -4.950 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -5.972 23.697 -3.970 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -6.971 24.638 -5.082 1.00 3.02 H new ATOM 619 N GLU A 46 -0.883 26.754 -4.649 1.00 2.07 N ATOM 620 CA GLU A 46 -0.480 27.886 -5.475 1.00 2.35 C ATOM 621 C GLU A 46 1.003 27.794 -5.838 1.00 2.34 C ATOM 622 O GLU A 46 1.567 28.717 -6.432 1.00 2.50 O ATOM 623 CB GLU A 46 -0.732 29.198 -4.728 1.00 2.41 C ATOM 624 CG GLU A 46 -2.191 29.618 -4.700 1.00 2.80 C ATOM 625 CD GLU A 46 -2.907 29.148 -3.450 1.00 3.19 C ATOM 626 OE1 GLU A 46 -2.757 29.804 -2.397 1.00 3.53 O ATOM 627 OE2 GLU A 46 -3.618 28.124 -3.522 1.00 3.69 O ATOM 0 H GLU A 46 -0.902 26.940 -3.646 1.00 2.07 H new ATOM 0 HA GLU A 46 -1.072 27.863 -6.390 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -0.373 29.097 -3.704 1.00 2.41 H new ATOM 0 HB3 GLU A 46 -0.145 29.989 -5.194 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -2.254 30.704 -4.764 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -2.698 29.217 -5.578 1.00 2.80 H new ATOM 634 N GLU A 47 1.616 26.648 -5.542 1.00 2.22 N ATOM 635 CA GLU A 47 3.012 26.432 -5.890 1.00 2.31 C ATOM 636 C GLU A 47 3.120 26.015 -7.356 1.00 2.34 C ATOM 637 O GLU A 47 4.220 25.822 -7.875 1.00 2.42 O ATOM 638 CB GLU A 47 3.634 25.355 -4.995 1.00 2.37 C ATOM 639 CG GLU A 47 5.154 25.395 -4.957 1.00 2.96 C ATOM 640 CD GLU A 47 5.780 24.021 -5.108 1.00 3.45 C ATOM 641 OE1 GLU A 47 6.035 23.608 -6.258 1.00 3.99 O ATOM 642 OE2 GLU A 47 6.015 23.359 -4.075 1.00 3.68 O ATOM 0 H GLU A 47 1.169 25.864 -5.066 1.00 2.22 H new ATOM 0 HA GLU A 47 3.556 27.364 -5.737 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.251 25.472 -3.981 1.00 2.37 H new ATOM 0 HB3 GLU A 47 3.314 24.374 -5.346 1.00 2.37 H new ATOM 0 HG2 GLU A 47 5.516 26.044 -5.754 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.478 25.836 -4.014 1.00 2.96 H new ATOM 769 N SER A 56 18.433 27.670 -0.301 1.00 2.28 N ATOM 770 CA SER A 56 18.195 26.909 0.948 1.00 2.07 C ATOM 771 C SER A 56 17.473 25.588 0.645 1.00 1.82 C ATOM 772 O SER A 56 16.442 25.586 -0.029 1.00 2.22 O ATOM 773 CB SER A 56 17.376 27.723 1.960 1.00 2.60 C ATOM 774 OG SER A 56 17.940 27.636 3.258 1.00 3.12 O ATOM 0 HA SER A 56 19.169 26.697 1.388 1.00 2.07 H new ATOM 0 HB2 SER A 56 17.336 28.766 1.646 1.00 2.60 H new ATOM 0 HB3 SER A 56 16.349 27.357 1.980 1.00 2.60 H new ATOM 0 HG SER A 56 17.402 28.164 3.884 1.00 3.12 H new ATOM 780 N GLY A 57 17.973 24.472 1.204 1.00 1.58 N ATOM 781 CA GLY A 57 17.324 23.196 1.005 1.00 1.86 C ATOM 782 C GLY A 57 17.991 22.375 -0.069 1.00 1.68 C ATOM 783 O GLY A 57 17.331 21.604 -0.765 1.00 2.10 O ATOM 0 H GLY A 57 18.811 24.442 1.785 1.00 1.58 H new ATOM 0 HA2 GLY A 57 17.330 22.638 1.941 1.00 1.86 H new ATOM 0 HA3 GLY A 57 16.280 23.360 0.738 1.00 1.86 H new ATOM 787 N GLN A 58 19.303 22.527 -0.202 1.00 1.37 N ATOM 788 CA GLN A 58 20.037 21.774 -1.195 1.00 1.46 C ATOM 789 C GLN A 58 21.137 20.943 -0.552 1.00 1.08 C ATOM 790 O GLN A 58 22.325 21.228 -0.680 1.00 1.00 O ATOM 791 CB GLN A 58 20.613 22.707 -2.262 1.00 1.97 C ATOM 792 CG GLN A 58 19.600 23.098 -3.329 1.00 2.80 C ATOM 793 CD GLN A 58 19.753 24.537 -3.782 1.00 3.61 C ATOM 794 OE1 GLN A 58 20.520 24.833 -4.698 1.00 3.96 O ATOM 795 NE2 GLN A 58 19.021 25.441 -3.141 1.00 4.36 N ATOM 0 H GLN A 58 19.870 23.160 0.362 1.00 1.37 H new ATOM 0 HA GLN A 58 19.342 21.088 -1.679 1.00 1.46 H new ATOM 0 HB2 GLN A 58 20.990 23.609 -1.781 1.00 1.97 H new ATOM 0 HB3 GLN A 58 21.464 22.221 -2.739 1.00 1.97 H new ATOM 0 HG2 GLN A 58 19.711 22.437 -4.189 1.00 2.80 H new ATOM 0 HG3 GLN A 58 18.593 22.949 -2.940 1.00 2.80 H new ATOM 0 HE21 GLN A 58 18.398 25.151 -2.387 1.00 4.36 H new ATOM 0 HE22 GLN A 58 19.082 26.425 -3.403 1.00 4.36 H new ATOM 804 N LYS A 59 20.711 19.862 0.059 1.00 1.17 N ATOM 805 CA LYS A 59 21.620 18.912 0.714 1.00 1.13 C ATOM 806 C LYS A 59 21.189 17.512 0.270 1.00 0.95 C ATOM 807 O LYS A 59 20.608 16.737 1.023 1.00 0.88 O ATOM 808 CB LYS A 59 21.527 19.021 2.250 1.00 1.54 C ATOM 809 CG LYS A 59 22.756 19.638 2.901 1.00 1.90 C ATOM 810 CD LYS A 59 23.719 18.576 3.410 1.00 2.17 C ATOM 811 CE LYS A 59 24.990 19.199 3.969 1.00 2.82 C ATOM 812 NZ LYS A 59 24.753 19.870 5.277 1.00 3.55 N ATOM 0 H LYS A 59 19.726 19.604 0.124 1.00 1.17 H new ATOM 0 HA LYS A 59 22.652 19.124 0.435 1.00 1.13 H new ATOM 0 HB2 LYS A 59 20.653 19.618 2.510 1.00 1.54 H new ATOM 0 HB3 LYS A 59 21.369 18.026 2.666 1.00 1.54 H new ATOM 0 HG2 LYS A 59 23.267 20.277 2.180 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.447 20.276 3.729 1.00 1.90 H new ATOM 0 HD2 LYS A 59 23.232 17.983 4.184 1.00 2.17 H new ATOM 0 HD3 LYS A 59 23.973 17.894 2.598 1.00 2.17 H new ATOM 0 HE2 LYS A 59 25.750 18.427 4.090 1.00 2.82 H new ATOM 0 HE3 LYS A 59 25.383 19.923 3.256 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 25.644 20.281 5.623 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 24.047 20.624 5.157 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 24.403 19.174 5.966 1.00 3.55 H new ATOM 826 N PRO A 60 21.431 17.218 -1.044 1.00 1.06 N ATOM 827 CA PRO A 60 21.027 15.961 -1.691 1.00 1.15 C ATOM 828 C PRO A 60 21.531 14.649 -1.079 1.00 1.10 C ATOM 829 O PRO A 60 22.446 14.006 -1.597 1.00 1.23 O ATOM 830 CB PRO A 60 21.549 16.089 -3.125 1.00 1.48 C ATOM 831 CG PRO A 60 22.542 17.196 -3.092 1.00 1.54 C ATOM 832 CD PRO A 60 22.052 18.133 -2.034 1.00 1.30 C ATOM 0 HA PRO A 60 19.947 15.867 -1.580 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.010 15.159 -3.459 1.00 1.48 H new ATOM 0 HB3 PRO A 60 20.738 16.310 -3.819 1.00 1.48 H new ATOM 0 HG2 PRO A 60 23.539 16.823 -2.857 1.00 1.54 H new ATOM 0 HG3 PRO A 60 22.608 17.694 -4.059 1.00 1.54 H new ATOM 0 HD2 PRO A 60 22.867 18.710 -1.596 1.00 1.30 H new ATOM 0 HD3 PRO A 60 21.332 18.849 -2.430 1.00 1.30 H new ATOM 840 N CYS A 61 20.827 14.211 -0.054 1.00 1.08 N ATOM 841 CA CYS A 61 21.057 12.908 0.574 1.00 1.13 C ATOM 842 C CYS A 61 19.957 11.979 0.046 1.00 1.36 C ATOM 843 O CYS A 61 19.179 12.404 -0.815 1.00 1.54 O ATOM 844 CB CYS A 61 20.995 12.978 2.112 1.00 1.30 C ATOM 845 SG CYS A 61 19.908 14.280 2.798 1.00 1.59 S ATOM 0 H CYS A 61 20.072 14.746 0.375 1.00 1.08 H new ATOM 0 HA CYS A 61 22.056 12.548 0.328 1.00 1.13 H new ATOM 0 HB2 CYS A 61 20.658 12.012 2.489 1.00 1.30 H new ATOM 0 HB3 CYS A 61 22.005 13.134 2.492 1.00 1.30 H new ATOM 850 N GLY A 62 19.893 10.713 0.478 1.00 1.60 N ATOM 851 CA GLY A 62 18.854 9.834 -0.046 1.00 1.92 C ATOM 852 C GLY A 62 19.110 9.432 -1.479 1.00 2.10 C ATOM 853 O GLY A 62 20.209 9.635 -1.995 1.00 2.43 O ATOM 0 H GLY A 62 20.523 10.292 1.161 1.00 1.60 H new ATOM 0 HA2 GLY A 62 18.792 8.940 0.574 1.00 1.92 H new ATOM 0 HA3 GLY A 62 17.889 10.336 0.021 1.00 1.92 H new ATOM 857 N SER A 63 18.101 8.854 -2.130 1.00 2.43 N ATOM 858 CA SER A 63 18.251 8.433 -3.507 1.00 2.98 C ATOM 859 C SER A 63 18.022 9.612 -4.453 1.00 2.74 C ATOM 860 O SER A 63 17.386 9.467 -5.499 1.00 3.32 O ATOM 861 CB SER A 63 17.274 7.293 -3.813 1.00 3.86 C ATOM 862 OG SER A 63 16.008 7.531 -3.217 1.00 4.11 O ATOM 0 H SER A 63 17.183 8.671 -1.724 1.00 2.43 H new ATOM 0 HA SER A 63 19.268 8.070 -3.658 1.00 2.98 H new ATOM 0 HB2 SER A 63 17.158 7.189 -4.892 1.00 3.86 H new ATOM 0 HB3 SER A 63 17.682 6.352 -3.444 1.00 3.86 H new ATOM 0 HG SER A 63 15.402 6.790 -3.429 1.00 4.11 H new ATOM 868 N GLY A 64 18.564 10.762 -4.078 1.00 2.15 N ATOM 869 CA GLY A 64 18.432 11.945 -4.883 1.00 2.11 C ATOM 870 C GLY A 64 17.673 13.120 -4.244 1.00 1.92 C ATOM 871 O GLY A 64 17.417 14.087 -4.970 1.00 2.21 O ATOM 0 H GLY A 64 19.098 10.890 -3.218 1.00 2.15 H new ATOM 0 HA2 GLY A 64 19.430 12.289 -5.153 1.00 2.11 H new ATOM 0 HA3 GLY A 64 17.926 11.674 -5.810 1.00 2.11 H new ATOM 875 N GLY A 65 17.330 13.118 -2.943 1.00 1.62 N ATOM 876 CA GLY A 65 16.624 14.284 -2.404 1.00 1.62 C ATOM 877 C GLY A 65 17.516 15.213 -1.589 1.00 1.43 C ATOM 878 O GLY A 65 18.535 14.788 -1.058 1.00 1.62 O ATOM 0 H GLY A 65 17.519 12.366 -2.281 1.00 1.62 H new ATOM 0 HA2 GLY A 65 16.185 14.846 -3.228 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.800 13.942 -1.777 1.00 1.62 H new ATOM 882 N ARG A 66 17.118 16.483 -1.483 1.00 1.17 N ATOM 883 CA ARG A 66 17.875 17.483 -0.717 1.00 1.03 C ATOM 884 C ARG A 66 17.280 17.703 0.678 1.00 0.94 C ATOM 885 O ARG A 66 16.076 17.544 0.879 1.00 1.04 O ATOM 886 CB ARG A 66 17.918 18.807 -1.472 1.00 1.10 C ATOM 887 CG ARG A 66 16.569 19.227 -2.027 1.00 1.26 C ATOM 888 CD ARG A 66 16.578 19.258 -3.544 1.00 1.41 C ATOM 889 NE ARG A 66 16.778 20.612 -4.049 1.00 1.78 N ATOM 890 CZ ARG A 66 16.035 21.171 -5.008 1.00 2.30 C ATOM 891 NH1 ARG A 66 15.046 20.492 -5.579 1.00 2.55 N ATOM 892 NH2 ARG A 66 16.283 22.414 -5.395 1.00 3.02 N ATOM 0 H ARG A 66 16.271 16.847 -1.920 1.00 1.17 H new ATOM 0 HA ARG A 66 18.888 17.099 -0.594 1.00 1.03 H new ATOM 0 HB2 ARG A 66 18.287 19.586 -0.805 1.00 1.10 H new ATOM 0 HB3 ARG A 66 18.631 18.726 -2.292 1.00 1.10 H new ATOM 0 HG2 ARG A 66 15.801 18.536 -1.681 1.00 1.26 H new ATOM 0 HG3 ARG A 66 16.307 20.213 -1.643 1.00 1.26 H new ATOM 0 HD2 ARG A 66 17.369 18.608 -3.918 1.00 1.41 H new ATOM 0 HD3 ARG A 66 15.636 18.863 -3.923 1.00 1.41 H new ATOM 0 HE ARG A 66 17.532 21.167 -3.644 1.00 1.78 H new ATOM 0 HH11 ARG A 66 14.849 19.535 -5.286 1.00 2.55 H new ATOM 0 HH12 ARG A 66 14.484 20.928 -6.310 1.00 2.55 H new ATOM 0 HH21 ARG A 66 17.040 22.942 -4.961 1.00 3.02 H new ATOM 0 HH22 ARG A 66 15.717 22.843 -6.127 1.00 3.02 H new ATOM 906 N CYS A 67 18.127 18.093 1.635 1.00 0.87 N ATOM 907 CA CYS A 67 17.699 18.361 2.980 1.00 0.87 C ATOM 908 C CYS A 67 16.901 19.646 3.011 1.00 0.88 C ATOM 909 O CYS A 67 17.468 20.738 2.939 1.00 0.93 O ATOM 910 CB CYS A 67 18.911 18.460 3.927 1.00 0.93 C ATOM 911 SG CYS A 67 19.306 16.906 4.808 1.00 1.52 S ATOM 0 H CYS A 67 19.127 18.227 1.483 1.00 0.87 H new ATOM 0 HA CYS A 67 17.069 17.539 3.321 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.783 18.769 3.351 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.720 19.242 4.662 1.00 0.93 H new ATOM 916 N ALA A 68 15.600 19.522 3.175 1.00 0.91 N ATOM 917 CA ALA A 68 14.742 20.700 3.283 1.00 0.98 C ATOM 918 C ALA A 68 14.667 21.095 4.761 1.00 0.98 C ATOM 919 O ALA A 68 14.252 22.190 5.130 1.00 1.07 O ATOM 920 CB ALA A 68 13.367 20.414 2.701 1.00 0.98 C ATOM 0 H ALA A 68 15.110 18.629 3.237 1.00 0.91 H new ATOM 0 HA ALA A 68 15.155 21.530 2.710 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.742 21.303 2.790 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.466 20.144 1.650 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.906 19.590 3.245 1.00 0.98 H new ATOM 926 N ALA A 69 14.957 20.091 5.563 1.00 0.92 N ATOM 927 CA ALA A 69 14.843 20.217 7.024 1.00 0.96 C ATOM 928 C ALA A 69 15.612 19.158 7.796 1.00 0.92 C ATOM 929 O ALA A 69 16.005 18.134 7.246 1.00 0.87 O ATOM 930 CB ALA A 69 13.387 20.202 7.421 1.00 1.00 C ATOM 0 H ALA A 69 15.273 19.176 5.241 1.00 0.92 H new ATOM 0 HA ALA A 69 15.301 21.169 7.291 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.304 20.295 8.504 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.871 21.036 6.944 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.933 19.264 7.102 1.00 1.00 H new ATOM 936 N ALA A 70 15.843 19.434 9.082 1.00 0.98 N ATOM 937 CA ALA A 70 16.589 18.522 9.940 1.00 1.00 C ATOM 938 C ALA A 70 15.956 17.135 10.032 1.00 1.04 C ATOM 939 O ALA A 70 14.804 16.986 10.438 1.00 1.24 O ATOM 940 CB ALA A 70 16.788 19.104 11.340 1.00 1.15 C ATOM 0 H ALA A 70 15.522 20.283 9.548 1.00 0.98 H new ATOM 0 HA ALA A 70 17.563 18.402 9.466 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.348 18.397 11.952 1.00 1.15 H new ATOM 0 HB2 ALA A 70 17.341 20.040 11.269 1.00 1.15 H new ATOM 0 HB3 ALA A 70 15.817 19.290 11.798 1.00 1.15 H new ATOM 946 N GLY A 71 16.739 16.119 9.676 1.00 1.15 N ATOM 947 CA GLY A 71 16.264 14.746 9.747 1.00 1.27 C ATOM 948 C GLY A 71 15.218 14.389 8.689 1.00 1.21 C ATOM 949 O GLY A 71 14.458 13.433 8.827 1.00 1.28 O ATOM 0 H GLY A 71 17.696 16.222 9.339 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.115 14.073 9.642 1.00 1.27 H new ATOM 0 HA3 GLY A 71 15.839 14.571 10.735 1.00 1.27 H new ATOM 953 N ILE A 72 15.153 15.242 7.697 1.00 1.12 N ATOM 954 CA ILE A 72 14.187 15.084 6.604 1.00 1.08 C ATOM 955 C ILE A 72 14.767 15.468 5.243 1.00 1.03 C ATOM 956 O ILE A 72 14.831 16.642 4.859 1.00 1.36 O ATOM 957 CB ILE A 72 12.863 15.791 6.901 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.994 17.291 6.808 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.329 15.368 8.259 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.266 17.781 5.603 1.00 0.92 C ATOM 0 H ILE A 72 15.755 16.061 7.611 1.00 1.12 H new ATOM 0 HA ILE A 72 13.963 14.019 6.541 1.00 1.08 H new ATOM 0 HB ILE A 72 12.145 15.488 6.139 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.589 17.758 7.706 1.00 1.09 H new ATOM 0 HG13 ILE A 72 14.046 17.572 6.750 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.387 15.880 8.455 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.165 14.290 8.266 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.052 15.630 9.032 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.361 18.865 5.536 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.692 17.324 4.710 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.212 17.513 5.681 1.00 0.92 H new ATOM 972 N CYS A 73 15.190 14.429 4.520 1.00 0.82 N ATOM 973 CA CYS A 73 15.777 14.571 3.195 1.00 1.07 C ATOM 974 C CYS A 73 14.737 14.269 2.123 1.00 1.08 C ATOM 975 O CYS A 73 14.632 13.138 1.647 1.00 1.21 O ATOM 976 CB CYS A 73 16.964 13.615 3.054 1.00 1.19 C ATOM 977 SG CYS A 73 18.168 14.085 1.770 1.00 1.98 S ATOM 0 H CYS A 73 15.133 13.463 4.843 1.00 0.82 H new ATOM 0 HA CYS A 73 16.123 15.597 3.068 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.480 13.554 4.012 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.586 12.617 2.831 1.00 1.19 H new ATOM 982 N CYS A 74 13.957 15.279 1.761 1.00 0.98 N ATOM 983 CA CYS A 74 12.912 15.111 0.757 1.00 0.99 C ATOM 984 C CYS A 74 13.418 15.489 -0.635 1.00 1.15 C ATOM 985 O CYS A 74 14.233 16.400 -0.788 1.00 1.33 O ATOM 986 CB CYS A 74 11.668 15.953 1.097 1.00 1.13 C ATOM 987 SG CYS A 74 11.343 16.213 2.881 1.00 1.32 S ATOM 0 H CYS A 74 14.027 16.221 2.146 1.00 0.98 H new ATOM 0 HA CYS A 74 12.634 14.057 0.759 1.00 0.99 H new ATOM 0 HB2 CYS A 74 11.771 16.928 0.620 1.00 1.13 H new ATOM 0 HB3 CYS A 74 10.795 15.472 0.655 1.00 1.13 H new ATOM 992 N SER A 75 12.917 14.784 -1.645 1.00 1.14 N ATOM 993 CA SER A 75 13.294 15.032 -3.036 1.00 1.36 C ATOM 994 C SER A 75 12.120 15.656 -3.794 1.00 1.28 C ATOM 995 O SER A 75 11.060 15.879 -3.209 1.00 1.10 O ATOM 996 CB SER A 75 13.723 13.725 -3.707 1.00 1.46 C ATOM 997 OG SER A 75 12.712 12.738 -3.593 1.00 1.99 O ATOM 0 H SER A 75 12.242 14.029 -1.525 1.00 1.14 H new ATOM 0 HA SER A 75 14.134 15.727 -3.056 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.941 13.907 -4.759 1.00 1.46 H new ATOM 0 HB3 SER A 75 14.643 13.362 -3.249 1.00 1.46 H new ATOM 0 HG SER A 75 13.009 11.913 -4.031 1.00 1.99 H new ATOM 1003 N PRO A 76 12.271 15.953 -5.103 1.00 1.46 N ATOM 1004 CA PRO A 76 11.188 16.551 -5.886 1.00 1.42 C ATOM 1005 C PRO A 76 10.145 15.512 -6.278 1.00 1.18 C ATOM 1006 O PRO A 76 9.478 15.631 -7.307 1.00 1.22 O ATOM 1007 CB PRO A 76 11.906 17.088 -7.122 1.00 1.74 C ATOM 1008 CG PRO A 76 13.066 16.172 -7.304 1.00 1.86 C ATOM 1009 CD PRO A 76 13.488 15.743 -5.920 1.00 1.77 C ATOM 0 HA PRO A 76 10.643 17.317 -5.334 1.00 1.42 H new ATOM 0 HB2 PRO A 76 11.253 17.081 -7.995 1.00 1.74 H new ATOM 0 HB3 PRO A 76 12.232 18.118 -6.976 1.00 1.74 H new ATOM 0 HG2 PRO A 76 12.789 15.310 -7.911 1.00 1.86 H new ATOM 0 HG3 PRO A 76 13.883 16.676 -7.821 1.00 1.86 H new ATOM 0 HD2 PRO A 76 13.807 14.701 -5.903 1.00 1.77 H new ATOM 0 HD3 PRO A 76 14.324 16.338 -5.554 1.00 1.77 H new ATOM 1017 N ASP A 77 10.010 14.497 -5.430 1.00 0.99 N ATOM 1018 CA ASP A 77 9.051 13.421 -5.642 1.00 0.91 C ATOM 1019 C ASP A 77 8.482 12.952 -4.302 1.00 0.82 C ATOM 1020 O ASP A 77 7.342 12.493 -4.226 1.00 0.90 O ATOM 1021 CB ASP A 77 9.714 12.250 -6.373 1.00 1.16 C ATOM 1022 CG ASP A 77 8.776 11.569 -7.351 1.00 1.92 C ATOM 1023 OD1 ASP A 77 8.722 12.003 -8.522 1.00 2.50 O ATOM 1024 OD2 ASP A 77 8.098 10.601 -6.948 1.00 2.65 O ATOM 0 H ASP A 77 10.562 14.398 -4.578 1.00 0.99 H new ATOM 0 HA ASP A 77 8.236 13.798 -6.259 1.00 0.91 H new ATOM 0 HB2 ASP A 77 10.592 12.611 -6.908 1.00 1.16 H new ATOM 0 HB3 ASP A 77 10.063 11.521 -5.642 1.00 1.16 H new ATOM 1029 N GLY A 78 9.289 13.081 -3.247 1.00 0.88 N ATOM 1030 CA GLY A 78 8.860 12.675 -1.916 1.00 0.87 C ATOM 1031 C GLY A 78 9.785 13.190 -0.820 1.00 0.86 C ATOM 1032 O GLY A 78 10.346 14.279 -0.935 1.00 0.99 O ATOM 0 H GLY A 78 10.235 13.461 -3.292 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.850 13.042 -1.736 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.817 11.587 -1.868 1.00 0.87 H new ATOM 1036 N CYS A 79 9.949 12.395 0.240 1.00 0.79 N ATOM 1037 CA CYS A 79 10.817 12.758 1.368 1.00 0.80 C ATOM 1038 C CYS A 79 11.459 11.503 1.951 1.00 0.78 C ATOM 1039 O CYS A 79 10.988 10.396 1.683 1.00 0.89 O ATOM 1040 CB CYS A 79 10.037 13.500 2.441 1.00 0.94 C ATOM 1041 SG CYS A 79 11.099 14.348 3.651 1.00 1.34 S ATOM 0 H CYS A 79 9.490 11.490 0.343 1.00 0.79 H new ATOM 0 HA CYS A 79 11.599 13.423 1.002 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.385 14.232 1.965 1.00 0.94 H new ATOM 0 HB3 CYS A 79 9.393 12.794 2.966 1.00 0.94 H new ATOM 1046 N HIS A 80 12.575 11.642 2.678 1.00 0.71 N ATOM 1047 CA HIS A 80 13.268 10.456 3.194 1.00 0.76 C ATOM 1048 C HIS A 80 13.972 10.782 4.504 1.00 0.70 C ATOM 1049 O HIS A 80 14.632 11.814 4.622 1.00 0.67 O ATOM 1050 CB HIS A 80 14.277 9.924 2.188 1.00 0.87 C ATOM 1051 CG HIS A 80 13.661 9.116 1.093 1.00 0.99 C ATOM 1052 ND1 HIS A 80 12.933 7.965 1.319 1.00 1.64 N ATOM 1053 CD2 HIS A 80 13.674 9.292 -0.248 1.00 1.76 C ATOM 1054 CE1 HIS A 80 12.530 7.469 0.164 1.00 2.09 C ATOM 1055 NE2 HIS A 80 12.965 8.256 -0.803 1.00 2.17 N ATOM 0 H HIS A 80 13.007 12.535 2.917 1.00 0.71 H new ATOM 0 HA HIS A 80 12.518 9.684 3.369 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.817 10.763 1.749 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.011 9.311 2.711 1.00 0.87 H new ATOM 0 HD2 HIS A 80 14.153 10.098 -0.783 1.00 1.76 H new ATOM 0 HE1 HIS A 80 11.944 6.572 0.032 1.00 2.09 H new ATOM 0 HE2 HIS A 80 12.801 8.117 -1.800 1.00 2.17 H new ATOM 1064 N GLU A 81 13.838 9.895 5.492 1.00 0.75 N ATOM 1065 CA GLU A 81 14.480 10.104 6.785 1.00 0.77 C ATOM 1066 C GLU A 81 15.991 10.175 6.603 1.00 0.72 C ATOM 1067 O GLU A 81 16.582 9.345 5.910 1.00 0.92 O ATOM 1068 CB GLU A 81 14.121 8.975 7.756 1.00 0.94 C ATOM 1069 CG GLU A 81 12.627 8.717 7.869 1.00 1.70 C ATOM 1070 CD GLU A 81 12.297 7.240 7.975 1.00 2.35 C ATOM 1071 OE1 GLU A 81 12.913 6.440 7.240 1.00 3.05 O ATOM 1072 OE2 GLU A 81 11.423 6.884 8.793 1.00 2.71 O ATOM 0 H GLU A 81 13.296 9.034 5.420 1.00 0.75 H new ATOM 0 HA GLU A 81 14.122 11.044 7.205 1.00 0.77 H new ATOM 0 HB2 GLU A 81 14.615 8.059 7.433 1.00 0.94 H new ATOM 0 HB3 GLU A 81 14.514 9.218 8.743 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.237 9.236 8.745 1.00 1.70 H new ATOM 0 HG3 GLU A 81 12.123 9.137 6.999 1.00 1.70 H new ATOM 1079 N ASP A 82 16.608 11.180 7.202 1.00 0.76 N ATOM 1080 CA ASP A 82 18.041 11.366 7.073 1.00 0.77 C ATOM 1081 C ASP A 82 18.660 11.803 8.420 1.00 0.96 C ATOM 1082 O ASP A 82 18.371 12.891 8.915 1.00 1.21 O ATOM 1083 CB ASP A 82 18.300 12.363 5.911 1.00 0.86 C ATOM 1084 CG ASP A 82 18.390 13.825 6.331 1.00 1.34 C ATOM 1085 OD1 ASP A 82 19.424 14.212 6.915 1.00 2.02 O ATOM 1086 OD2 ASP A 82 17.430 14.579 6.066 1.00 1.82 O ATOM 0 H ASP A 82 16.139 11.877 7.781 1.00 0.76 H new ATOM 0 HA ASP A 82 18.536 10.428 6.823 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.229 12.085 5.413 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.501 12.259 5.177 1.00 0.86 H new ATOM 1091 N PRO A 83 19.498 10.938 9.049 1.00 1.15 N ATOM 1092 CA PRO A 83 20.118 11.232 10.353 1.00 1.42 C ATOM 1093 C PRO A 83 21.196 12.312 10.295 1.00 1.28 C ATOM 1094 O PRO A 83 21.526 12.919 11.313 1.00 1.40 O ATOM 1095 CB PRO A 83 20.744 9.892 10.777 1.00 1.81 C ATOM 1096 CG PRO A 83 20.184 8.871 9.844 1.00 1.93 C ATOM 1097 CD PRO A 83 19.885 9.601 8.568 1.00 1.42 C ATOM 0 HA PRO A 83 19.375 11.622 11.048 1.00 1.42 H new ATOM 0 HB2 PRO A 83 21.831 9.929 10.710 1.00 1.81 H new ATOM 0 HB3 PRO A 83 20.497 9.654 11.812 1.00 1.81 H new ATOM 0 HG2 PRO A 83 20.897 8.064 9.675 1.00 1.93 H new ATOM 0 HG3 PRO A 83 19.282 8.418 10.256 1.00 1.93 H new ATOM 0 HD2 PRO A 83 20.754 9.642 7.911 1.00 1.42 H new ATOM 0 HD3 PRO A 83 19.082 9.124 8.006 1.00 1.42 H new ATOM 1105 N ALA A 84 21.752 12.543 9.113 1.00 1.13 N ATOM 1106 CA ALA A 84 22.800 13.545 8.952 1.00 1.17 C ATOM 1107 C ALA A 84 22.283 14.950 9.259 1.00 1.20 C ATOM 1108 O ALA A 84 22.985 15.760 9.864 1.00 1.53 O ATOM 1109 CB ALA A 84 23.372 13.487 7.543 1.00 1.21 C ATOM 0 H ALA A 84 21.497 12.054 8.255 1.00 1.13 H new ATOM 0 HA ALA A 84 23.591 13.319 9.667 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.153 14.240 7.436 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.794 12.498 7.362 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.579 13.681 6.820 1.00 1.21 H new ATOM 1115 N CYS A 85 21.058 15.234 8.827 1.00 1.02 N ATOM 1116 CA CYS A 85 20.445 16.545 9.043 1.00 1.19 C ATOM 1117 C CYS A 85 19.514 16.565 10.239 1.00 1.46 C ATOM 1118 O CYS A 85 18.934 17.593 10.527 1.00 1.88 O ATOM 1119 CB CYS A 85 19.618 16.964 7.817 1.00 1.15 C ATOM 1120 SG CYS A 85 20.557 17.440 6.327 1.00 1.42 S ATOM 0 H CYS A 85 20.467 14.573 8.323 1.00 1.02 H new ATOM 0 HA CYS A 85 21.272 17.233 9.219 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.956 16.139 7.554 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.984 17.803 8.103 1.00 1.15 H new ATOM 1125 N ASP A 86 19.353 15.447 10.921 1.00 1.53 N ATOM 1126 CA ASP A 86 18.408 15.384 12.043 1.00 1.90 C ATOM 1127 C ASP A 86 18.829 16.254 13.219 1.00 1.82 C ATOM 1128 O ASP A 86 18.068 17.111 13.667 1.00 2.29 O ATOM 1129 CB ASP A 86 18.235 13.938 12.506 1.00 2.43 C ATOM 1130 CG ASP A 86 16.786 13.598 12.794 1.00 3.07 C ATOM 1131 OD1 ASP A 86 16.229 14.150 13.766 1.00 3.47 O ATOM 1132 OD2 ASP A 86 16.208 12.781 12.047 1.00 3.60 O ATOM 0 H ASP A 86 19.851 14.578 10.730 1.00 1.53 H new ATOM 0 HA ASP A 86 17.459 15.774 11.677 1.00 1.90 H new ATOM 0 HB2 ASP A 86 18.619 13.265 11.740 1.00 2.43 H new ATOM 0 HB3 ASP A 86 18.831 13.772 13.404 1.00 2.43 H new ATOM 1363 N CYS B 110 -3.799 1.622 15.906 1.00 2.52 N ATOM 1364 CA CYS B 110 -2.704 2.282 15.198 1.00 1.89 C ATOM 1365 C CYS B 110 -1.903 3.259 16.069 1.00 1.69 C ATOM 1366 O CYS B 110 -2.432 4.306 16.443 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.239 2.980 13.954 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.660 1.826 12.606 1.00 2.61 S ATOM 0 HA CYS B 110 -2.001 1.500 14.912 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -4.126 3.555 14.221 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -2.494 3.691 13.596 1.00 2.23 H new ATOM 0 HG CYS B 110 -4.097 0.711 13.110 1.00 2.61 H new ATOM 1373 N LEU B 111 -0.631 2.929 16.376 1.00 1.46 N ATOM 1374 CA LEU B 111 0.267 3.805 17.181 1.00 1.37 C ATOM 1375 C LEU B 111 0.016 5.308 16.923 1.00 1.20 C ATOM 1376 O LEU B 111 0.270 5.799 15.815 1.00 1.18 O ATOM 1377 CB LEU B 111 1.733 3.475 16.892 1.00 1.54 C ATOM 1378 CG LEU B 111 2.733 4.053 17.896 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.642 3.319 19.224 1.00 2.47 C ATOM 1380 CD2 LEU B 111 4.148 3.983 17.342 1.00 2.26 C ATOM 0 H LEU B 111 -0.194 2.057 16.079 1.00 1.46 H new ATOM 0 HA LEU B 111 0.041 3.607 18.229 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.849 2.391 16.869 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.984 3.844 15.898 1.00 1.54 H new ATOM 0 HG LEU B 111 2.482 5.100 18.065 1.00 1.90 H new ATOM 0 HD11 LEU B 111 3.361 3.744 19.925 1.00 2.47 H new ATOM 0 HD12 LEU B 111 1.635 3.423 19.629 1.00 2.47 H new ATOM 0 HD13 LEU B 111 2.865 2.263 19.072 1.00 2.47 H new ATOM 0 HD21 LEU B 111 4.845 4.399 18.070 1.00 2.26 H new ATOM 0 HD22 LEU B 111 4.409 2.944 17.142 1.00 2.26 H new ATOM 0 HD23 LEU B 111 4.205 4.556 16.417 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.523 6.047 17.928 1.00 1.19 N ATOM 1393 CA PRO B 112 -0.854 7.472 17.780 1.00 1.12 C ATOM 1394 C PRO B 112 0.317 8.447 17.986 1.00 1.03 C ATOM 1395 O PRO B 112 1.166 8.247 18.858 1.00 1.06 O ATOM 1396 CB PRO B 112 -1.917 7.670 18.858 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.504 6.747 19.949 1.00 1.47 C ATOM 1398 CD PRO B 112 -0.906 5.541 19.268 1.00 1.37 C ATOM 0 HA PRO B 112 -1.169 7.695 16.760 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -1.949 8.704 19.201 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -2.912 7.427 18.486 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -0.778 7.223 20.609 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.358 6.464 20.565 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.043 5.160 19.814 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.624 4.724 19.197 1.00 1.37 H new ATOM 1406 N CYS B 113 0.265 9.576 17.251 1.00 0.94 N ATOM 1407 CA CYS B 113 1.238 10.657 17.409 1.00 0.90 C ATOM 1408 C CYS B 113 0.597 12.008 17.023 1.00 0.91 C ATOM 1409 O CYS B 113 -0.617 12.093 16.721 1.00 1.00 O ATOM 1410 CB CYS B 113 2.490 10.387 16.542 1.00 0.83 C ATOM 1411 SG CYS B 113 2.188 10.441 14.733 1.00 0.87 S ATOM 0 H CYS B 113 -0.446 9.756 16.542 1.00 0.94 H new ATOM 0 HA CYS B 113 1.546 10.701 18.454 1.00 0.90 H new ATOM 0 HB2 CYS B 113 3.255 11.122 16.792 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.892 9.408 16.802 1.00 0.83 H new ATOM 1416 N GLY B 114 1.459 13.035 16.939 1.00 0.92 N ATOM 1417 CA GLY B 114 1.049 14.364 16.508 1.00 0.99 C ATOM 1418 C GLY B 114 0.284 15.169 17.543 1.00 1.11 C ATOM 1419 O GLY B 114 0.328 14.856 18.733 1.00 1.16 O ATOM 0 H GLY B 114 2.450 12.960 17.168 1.00 0.92 H new ATOM 0 HA2 GLY B 114 1.937 14.925 16.218 1.00 0.99 H new ATOM 0 HA3 GLY B 114 0.429 14.265 15.617 1.00 0.99 H new ATOM 1423 N PRO B 115 -0.467 16.211 17.104 1.00 1.19 N ATOM 1424 CA PRO B 115 -1.295 17.060 17.981 1.00 1.33 C ATOM 1425 C PRO B 115 -2.413 16.249 18.606 1.00 1.40 C ATOM 1426 O PRO B 115 -3.398 15.871 17.976 1.00 1.57 O ATOM 1427 CB PRO B 115 -1.848 18.093 17.018 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.032 17.216 15.880 1.00 1.39 C ATOM 1429 CD PRO B 115 -0.672 16.628 15.710 1.00 1.21 C ATOM 0 HA PRO B 115 -0.744 17.498 18.814 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -2.778 18.544 17.364 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -1.152 18.908 16.821 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -2.785 16.451 16.073 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -2.353 17.762 14.993 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -0.651 15.795 15.007 1.00 1.21 H new ATOM 0 HD3 PRO B 115 0.067 17.352 15.368 1.00 1.21 H new ATOM 1437 N GLY B 116 -2.208 16.017 19.824 1.00 1.35 N ATOM 1438 CA GLY B 116 -3.090 15.257 20.657 1.00 1.48 C ATOM 1439 C GLY B 116 -2.782 13.795 20.578 1.00 1.44 C ATOM 1440 O GLY B 116 -3.311 13.013 21.374 1.00 1.70 O ATOM 0 H GLY B 116 -1.384 16.359 20.318 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -3.001 15.595 21.689 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -4.122 15.431 20.353 1.00 1.48 H new ATOM 1444 N GLY B 117 -1.950 13.400 19.607 1.00 1.29 N ATOM 1445 CA GLY B 117 -1.623 12.045 19.486 1.00 1.26 C ATOM 1446 C GLY B 117 -2.746 11.204 18.954 1.00 1.26 C ATOM 1447 O GLY B 117 -3.054 10.120 19.452 1.00 1.38 O ATOM 0 H GLY B 117 -1.516 14.018 18.921 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -0.761 11.945 18.827 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -1.324 11.663 20.462 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.251 11.680 17.804 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.241 10.957 17.030 1.00 1.25 C ATOM 1453 C LYS B 118 -3.430 10.169 16.001 1.00 1.15 C ATOM 1454 O LYS B 118 -3.740 9.020 15.694 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.225 11.935 16.346 1.00 1.30 C ATOM 1456 CG LYS B 118 -5.224 13.354 16.926 1.00 1.36 C ATOM 1457 CD LYS B 118 -6.608 13.783 17.382 1.00 1.78 C ATOM 1458 CE LYS B 118 -6.803 15.287 17.252 1.00 1.95 C ATOM 1459 NZ LYS B 118 -6.681 15.978 18.566 1.00 2.54 N ATOM 0 H LYS B 118 -2.978 12.574 17.396 1.00 1.19 H new ATOM 0 HA LYS B 118 -4.855 10.302 17.648 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -4.982 11.991 15.285 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.233 11.527 16.421 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -4.534 13.401 17.768 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -4.857 14.053 16.174 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -7.363 13.266 16.790 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -6.758 13.485 18.420 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -6.064 15.690 16.560 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -7.785 15.490 16.825 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -6.820 17.000 18.435 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -7.402 15.611 19.219 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -5.735 15.805 18.962 1.00 2.54 H new ATOM 1473 N GLY B 119 -2.589 10.924 15.273 1.00 1.04 N ATOM 1474 CA GLY B 119 -1.964 10.362 14.078 1.00 0.97 C ATOM 1475 C GLY B 119 -1.132 9.124 14.312 1.00 0.93 C ATOM 1476 O GLY B 119 -1.041 8.621 15.404 1.00 1.02 O ATOM 0 H GLY B 119 -2.337 11.889 15.485 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -2.745 10.125 13.356 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -1.332 11.125 13.624 1.00 0.97 H new ATOM 1480 N ARG B 120 -0.629 8.570 13.228 1.00 0.87 N ATOM 1481 CA ARG B 120 0.079 7.304 13.290 1.00 0.87 C ATOM 1482 C ARG B 120 1.555 7.403 12.953 1.00 0.80 C ATOM 1483 O ARG B 120 2.023 8.392 12.384 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.626 6.350 12.353 1.00 0.95 C ATOM 1485 CG ARG B 120 -1.591 5.406 13.049 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.028 5.692 12.636 1.00 1.60 C ATOM 1487 NE ARG B 120 -3.247 5.434 11.214 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.380 4.951 10.704 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -5.420 4.693 11.490 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -4.474 4.731 9.400 1.00 2.89 N ATOM 0 H ARG B 120 -0.696 8.974 12.294 1.00 0.87 H new ATOM 0 HA ARG B 120 0.057 6.948 14.320 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.172 6.926 11.606 1.00 0.95 H new ATOM 0 HB3 ARG B 120 0.121 5.762 11.819 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -1.337 4.375 12.804 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -1.492 5.510 14.129 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -3.705 5.074 13.226 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.270 6.731 12.858 1.00 1.60 H new ATOM 0 HE ARG B 120 -2.483 5.637 10.570 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.356 4.864 12.493 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -6.282 4.324 11.090 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -3.681 4.931 8.791 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -5.339 4.361 9.006 1.00 2.89 H new ATOM 1504 N CYS B 121 2.279 6.351 13.328 1.00 0.82 N ATOM 1505 CA CYS B 121 3.719 6.283 13.103 1.00 0.81 C ATOM 1506 C CYS B 121 4.078 5.309 11.987 1.00 0.85 C ATOM 1507 O CYS B 121 3.541 4.204 11.905 1.00 1.05 O ATOM 1508 CB CYS B 121 4.431 5.842 14.382 1.00 0.91 C ATOM 1509 SG CYS B 121 4.800 7.193 15.536 1.00 1.07 S ATOM 0 H CYS B 121 1.889 5.530 13.791 1.00 0.82 H new ATOM 0 HA CYS B 121 4.043 7.282 12.810 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.813 5.103 14.892 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.363 5.346 14.112 1.00 0.91 H new ATOM 1514 N PHE B 122 5.010 5.736 11.142 1.00 0.76 N ATOM 1515 CA PHE B 122 5.489 4.924 10.028 1.00 0.84 C ATOM 1516 C PHE B 122 6.977 5.189 9.783 1.00 0.95 C ATOM 1517 O PHE B 122 7.482 4.999 8.676 1.00 1.44 O ATOM 1518 CB PHE B 122 4.687 5.232 8.762 1.00 0.86 C ATOM 1519 CG PHE B 122 3.269 4.736 8.810 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.960 3.442 8.421 1.00 1.42 C ATOM 1521 CD2 PHE B 122 2.246 5.565 9.242 1.00 1.41 C ATOM 1522 CE1 PHE B 122 1.656 2.984 8.462 1.00 1.50 C ATOM 1523 CE2 PHE B 122 0.941 5.112 9.286 1.00 1.53 C ATOM 1524 CZ PHE B 122 0.646 3.820 8.895 1.00 1.15 C ATOM 0 H PHE B 122 5.454 6.652 11.209 1.00 0.76 H new ATOM 0 HA PHE B 122 5.354 3.872 10.281 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.680 6.310 8.600 1.00 0.86 H new ATOM 0 HB3 PHE B 122 5.191 4.784 7.905 1.00 0.86 H new ATOM 0 HD1 PHE B 122 3.747 2.784 8.082 1.00 1.42 H new ATOM 0 HD2 PHE B 122 2.471 6.576 9.548 1.00 1.41 H new ATOM 0 HE1 PHE B 122 1.428 1.974 8.156 1.00 1.50 H new ATOM 0 HE2 PHE B 122 0.153 5.767 9.626 1.00 1.53 H new ATOM 0 HZ PHE B 122 -0.373 3.464 8.928 1.00 1.15 H new ATOM 1534 N GLY B 123 7.663 5.643 10.830 1.00 0.84 N ATOM 1535 CA GLY B 123 9.080 5.951 10.740 1.00 0.89 C ATOM 1536 C GLY B 123 9.474 7.026 11.742 1.00 0.89 C ATOM 1537 O GLY B 123 8.604 7.737 12.245 1.00 0.90 O ATOM 0 H GLY B 123 7.255 5.804 11.751 1.00 0.84 H new ATOM 0 HA2 GLY B 123 9.663 5.049 10.923 1.00 0.89 H new ATOM 0 HA3 GLY B 123 9.319 6.286 9.731 1.00 0.89 H new ATOM 1541 N PRO B 124 10.772 7.178 12.072 1.00 1.02 N ATOM 1542 CA PRO B 124 11.209 8.190 13.040 1.00 1.08 C ATOM 1543 C PRO B 124 10.817 9.605 12.616 1.00 0.96 C ATOM 1544 O PRO B 124 10.022 10.262 13.287 1.00 1.02 O ATOM 1545 CB PRO B 124 12.734 8.034 13.073 1.00 1.33 C ATOM 1546 CG PRO B 124 12.990 6.659 12.558 1.00 1.51 C ATOM 1547 CD PRO B 124 11.906 6.388 11.553 1.00 1.26 C ATOM 0 HA PRO B 124 10.741 8.047 14.014 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.222 8.786 12.452 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.122 8.156 14.084 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.976 6.591 12.097 1.00 1.51 H new ATOM 0 HG3 PRO B 124 12.965 5.928 13.366 1.00 1.51 H new ATOM 0 HD2 PRO B 124 12.195 6.706 10.551 1.00 1.26 H new ATOM 0 HD3 PRO B 124 11.666 5.326 11.494 1.00 1.26 H new ATOM 1555 N SER B 125 11.370 10.068 11.497 1.00 0.97 N ATOM 1556 CA SER B 125 11.059 11.403 10.992 1.00 0.92 C ATOM 1557 C SER B 125 9.869 11.345 10.037 1.00 0.76 C ATOM 1558 O SER B 125 9.870 11.994 8.996 1.00 0.78 O ATOM 1559 CB SER B 125 12.278 12.013 10.278 1.00 1.12 C ATOM 1560 OG SER B 125 13.137 12.664 11.198 1.00 1.25 O ATOM 0 H SER B 125 12.032 9.542 10.926 1.00 0.97 H new ATOM 0 HA SER B 125 10.801 12.037 11.841 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.827 11.229 9.756 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.943 12.724 9.523 1.00 1.12 H new ATOM 0 HG SER B 125 13.850 13.126 10.709 1.00 1.25 H new ATOM 1566 N ILE B 126 8.867 10.527 10.365 1.00 0.70 N ATOM 1567 CA ILE B 126 7.695 10.382 9.520 1.00 0.60 C ATOM 1568 C ILE B 126 6.466 9.921 10.325 1.00 0.57 C ATOM 1569 O ILE B 126 6.490 8.852 10.937 1.00 0.74 O ATOM 1570 CB ILE B 126 7.938 9.408 8.347 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.378 9.478 7.826 1.00 0.79 C ATOM 1572 CG2 ILE B 126 6.988 9.757 7.242 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.693 8.449 6.760 1.00 0.85 C ATOM 0 H ILE B 126 8.850 9.958 11.211 1.00 0.70 H new ATOM 0 HA ILE B 126 7.497 11.372 9.109 1.00 0.60 H new ATOM 0 HB ILE B 126 7.772 8.391 8.702 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.560 10.474 7.422 1.00 0.79 H new ATOM 0 HG13 ILE B 126 10.064 9.343 8.662 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.143 9.080 6.402 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.963 9.662 7.600 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.166 10.783 6.919 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.729 8.561 6.441 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.544 7.448 7.165 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.033 8.596 5.905 1.00 0.85 H new ATOM 1585 N CYS B 127 5.389 10.719 10.309 1.00 0.54 N ATOM 1586 CA CYS B 127 4.151 10.369 11.027 1.00 0.53 C ATOM 1587 C CYS B 127 2.914 10.693 10.171 1.00 0.53 C ATOM 1588 O CYS B 127 2.575 11.856 9.961 1.00 0.56 O ATOM 1589 CB CYS B 127 4.057 11.112 12.378 1.00 0.56 C ATOM 1590 SG CYS B 127 3.989 10.030 13.861 1.00 0.89 S ATOM 0 H CYS B 127 5.348 11.608 9.810 1.00 0.54 H new ATOM 0 HA CYS B 127 4.179 9.297 11.222 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.917 11.775 12.471 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.168 11.743 12.367 1.00 0.56 H new ATOM 1595 N CYS B 128 2.240 9.642 9.706 1.00 0.53 N ATOM 1596 CA CYS B 128 1.038 9.745 8.906 1.00 0.56 C ATOM 1597 C CYS B 128 -0.229 9.221 9.654 1.00 0.60 C ATOM 1598 O CYS B 128 -0.151 8.357 10.523 1.00 0.76 O ATOM 1599 CB CYS B 128 1.159 8.992 7.556 1.00 0.63 C ATOM 1600 SG CYS B 128 2.849 8.604 6.962 1.00 1.23 S ATOM 0 H CYS B 128 2.527 8.679 9.883 1.00 0.53 H new ATOM 0 HA CYS B 128 0.922 10.812 8.714 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.607 8.056 7.641 1.00 0.63 H new ATOM 0 HB3 CYS B 128 0.660 9.587 6.791 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.422 9.721 9.174 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.710 9.305 9.666 1.00 0.65 C ATOM 1607 C GLY B 129 -3.761 9.474 8.559 1.00 0.66 C ATOM 1608 O GLY B 129 -3.430 9.838 7.429 1.00 0.64 O ATOM 0 H GLY B 129 -1.474 10.422 8.435 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.669 8.264 9.988 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -2.987 9.898 10.538 1.00 0.65 H new ATOM 1612 N ASP B 130 -5.010 9.217 8.899 1.00 0.72 N ATOM 1613 CA ASP B 130 -6.166 9.307 7.990 1.00 0.76 C ATOM 1614 C ASP B 130 -6.490 10.757 7.564 1.00 0.77 C ATOM 1615 O ASP B 130 -6.747 11.044 6.396 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.374 8.660 8.669 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.419 8.175 7.684 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -9.213 9.010 7.205 1.00 2.35 O ATOM 1619 OD2 ASP B 130 -8.447 6.959 7.395 1.00 1.96 O ATOM 0 H ASP B 130 -5.269 8.930 9.843 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.915 8.776 7.072 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.036 7.819 9.275 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.830 9.380 9.349 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.490 11.626 8.555 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.768 13.050 8.298 1.00 0.85 C ATOM 1626 C GLU B 131 -5.646 13.912 8.806 1.00 0.89 C ATOM 1627 O GLU B 131 -5.807 15.104 9.057 1.00 1.03 O ATOM 1628 CB GLU B 131 -8.076 13.500 8.991 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.966 12.377 9.520 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.430 12.771 9.567 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.823 13.481 10.517 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -11.182 12.374 8.652 1.00 1.63 O ATOM 0 H GLU B 131 -6.306 11.392 9.531 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.869 13.165 7.219 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.818 14.156 9.822 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.654 14.094 8.284 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.850 11.497 8.888 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.636 12.097 10.520 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.510 13.294 8.869 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.320 13.891 9.304 1.00 0.89 C ATOM 1641 C LEU B 132 -2.252 13.693 8.271 1.00 0.83 C ATOM 1642 O LEU B 132 -1.202 14.336 8.309 1.00 0.91 O ATOM 1643 CB LEU B 132 -2.990 13.259 10.620 1.00 0.93 C ATOM 1644 CG LEU B 132 -2.951 14.221 11.811 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.265 13.485 13.103 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -1.616 14.947 11.909 1.00 1.38 C ATOM 0 H LEU B 132 -4.398 12.316 8.603 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.412 14.969 9.436 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.724 12.480 10.826 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.020 12.769 10.537 1.00 0.93 H new ATOM 0 HG LEU B 132 -3.718 14.978 11.648 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.232 14.185 13.938 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.260 13.044 13.038 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.528 12.697 13.261 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -1.630 15.620 12.767 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -0.814 14.219 12.031 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.447 15.523 10.999 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.555 12.833 7.299 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.659 12.599 6.231 1.00 0.70 C ATOM 1660 C GLY B 133 -0.287 12.207 6.712 1.00 0.66 C ATOM 1661 O GLY B 133 -0.244 11.348 7.542 1.00 0.65 O ATOM 0 H GLY B 133 -3.423 12.299 7.253 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -2.057 11.810 5.592 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.584 13.498 5.619 1.00 0.70 H new ATOM 1665 N CYS B 134 0.815 12.878 6.329 1.00 0.69 N ATOM 1666 CA CYS B 134 2.119 12.510 6.890 1.00 0.68 C ATOM 1667 C CYS B 134 2.974 13.706 7.169 1.00 0.64 C ATOM 1668 O CYS B 134 3.252 14.499 6.271 1.00 0.62 O ATOM 1669 CB CYS B 134 2.888 11.529 6.009 1.00 0.72 C ATOM 1670 SG CYS B 134 3.883 10.354 6.986 1.00 1.08 S ATOM 0 H CYS B 134 0.828 13.648 5.660 1.00 0.69 H new ATOM 0 HA CYS B 134 1.892 12.013 7.833 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.185 10.976 5.386 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.542 12.084 5.336 1.00 0.72 H new ATOM 1675 N PHE B 135 3.452 13.813 8.410 1.00 0.67 N ATOM 1676 CA PHE B 135 4.348 14.866 8.753 1.00 0.66 C ATOM 1677 C PHE B 135 5.672 14.174 8.737 1.00 0.64 C ATOM 1678 O PHE B 135 5.990 13.422 9.664 1.00 0.64 O ATOM 1679 CB PHE B 135 4.066 15.413 10.161 1.00 0.70 C ATOM 1680 CG PHE B 135 2.748 16.118 10.316 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.584 15.580 9.792 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.677 17.320 11.002 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.373 16.230 9.949 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.471 17.975 11.161 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.317 17.429 10.634 1.00 1.23 C ATOM 0 H PHE B 135 3.223 13.178 9.174 1.00 0.67 H new ATOM 0 HA PHE B 135 4.274 15.721 8.081 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.104 14.586 10.870 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.864 16.103 10.433 1.00 0.70 H new ATOM 0 HD1 PHE B 135 1.622 14.644 9.255 1.00 0.96 H new ATOM 0 HD2 PHE B 135 3.576 17.750 11.418 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.528 15.801 9.537 1.00 1.19 H new ATOM 0 HE2 PHE B 135 1.431 18.912 11.696 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.627 17.938 10.757 1.00 1.23 H new ATOM 1695 N VAL B 136 6.423 14.370 7.677 1.00 0.66 N ATOM 1696 CA VAL B 136 7.676 13.685 7.569 1.00 0.68 C ATOM 1697 C VAL B 136 8.789 14.538 8.130 1.00 0.71 C ATOM 1698 O VAL B 136 9.403 15.380 7.462 1.00 0.74 O ATOM 1699 CB VAL B 136 7.969 13.166 6.138 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.054 12.099 6.187 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.696 12.595 5.488 1.00 0.74 C ATOM 0 H VAL B 136 6.190 14.985 6.897 1.00 0.66 H new ATOM 0 HA VAL B 136 7.611 12.782 8.176 1.00 0.68 H new ATOM 0 HB VAL B 136 8.314 14.004 5.532 1.00 0.73 H new ATOM 0 HG11 VAL B 136 9.255 11.738 5.178 1.00 0.75 H new ATOM 0 HG12 VAL B 136 9.964 12.525 6.609 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.720 11.269 6.809 1.00 0.75 H new ATOM 0 HG21 VAL B 136 6.929 12.238 4.485 1.00 0.74 H new ATOM 0 HG22 VAL B 136 6.320 11.768 6.090 1.00 0.74 H new ATOM 0 HG23 VAL B 136 5.937 13.375 5.428 1.00 0.74 H new ATOM 1711 N GLY B 137 9.003 14.291 9.407 1.00 0.72 N ATOM 1712 CA GLY B 137 10.034 14.985 10.159 1.00 0.76 C ATOM 1713 C GLY B 137 9.568 16.305 10.717 1.00 0.73 C ATOM 1714 O GLY B 137 9.854 17.363 10.155 1.00 0.83 O ATOM 0 H GLY B 137 8.473 13.610 9.951 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.369 14.349 10.978 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.896 15.154 9.513 1.00 0.76 H new ATOM 1718 N THR B 138 8.847 16.241 11.828 1.00 0.69 N ATOM 1719 CA THR B 138 8.335 17.437 12.463 1.00 0.70 C ATOM 1720 C THR B 138 8.071 17.213 13.963 1.00 0.73 C ATOM 1721 O THR B 138 8.515 16.230 14.552 1.00 0.77 O ATOM 1722 CB THR B 138 7.059 17.903 11.742 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.077 16.885 11.760 1.00 0.78 O ATOM 1724 CG2 THR B 138 7.283 18.295 10.296 1.00 0.77 C ATOM 0 H THR B 138 8.606 15.372 12.304 1.00 0.69 H new ATOM 0 HA THR B 138 9.091 18.218 12.385 1.00 0.70 H new ATOM 0 HB THR B 138 6.731 18.787 12.289 1.00 0.73 H new ATOM 0 HG1 THR B 138 6.428 16.100 12.230 1.00 0.78 H new ATOM 0 HG21 THR B 138 6.338 18.612 9.854 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.999 19.115 10.248 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.673 17.440 9.743 1.00 0.77 H new ATOM 1732 N ALA B 139 7.239 18.083 14.508 1.00 0.79 N ATOM 1733 CA ALA B 139 6.824 17.951 15.900 1.00 0.88 C ATOM 1734 C ALA B 139 5.938 16.715 16.022 1.00 0.83 C ATOM 1735 O ALA B 139 6.066 15.913 16.951 1.00 0.87 O ATOM 1736 CB ALA B 139 6.093 19.200 16.373 1.00 1.04 C ATOM 0 H ALA B 139 6.839 18.882 14.017 1.00 0.79 H new ATOM 0 HA ALA B 139 7.701 17.837 16.537 1.00 0.88 H new ATOM 0 HB1 ALA B 139 5.795 19.075 17.414 1.00 1.04 H new ATOM 0 HB2 ALA B 139 6.753 20.063 16.286 1.00 1.04 H new ATOM 0 HB3 ALA B 139 5.207 19.358 15.758 1.00 1.04 H new ATOM 1742 N GLU B 140 5.074 16.567 15.025 1.00 0.79 N ATOM 1743 CA GLU B 140 4.143 15.445 14.928 1.00 0.79 C ATOM 1744 C GLU B 140 4.854 14.094 15.011 1.00 0.73 C ATOM 1745 O GLU B 140 4.272 13.107 15.461 1.00 0.79 O ATOM 1746 CB GLU B 140 3.371 15.540 13.613 1.00 0.83 C ATOM 1747 CG GLU B 140 1.885 15.264 13.754 1.00 1.27 C ATOM 1748 CD GLU B 140 1.502 13.890 13.243 1.00 1.55 C ATOM 1749 OE1 GLU B 140 1.812 13.586 12.071 1.00 1.90 O ATOM 1750 OE2 GLU B 140 0.895 13.118 14.013 1.00 2.31 O ATOM 0 H GLU B 140 4.998 17.228 14.252 1.00 0.79 H new ATOM 0 HA GLU B 140 3.460 15.506 15.775 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.508 16.537 13.193 1.00 0.83 H new ATOM 0 HB3 GLU B 140 3.796 14.833 12.901 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.600 15.351 14.802 1.00 1.27 H new ATOM 0 HG3 GLU B 140 1.324 16.022 13.207 1.00 1.27 H new ATOM 1757 N ALA B 141 6.098 14.041 14.546 1.00 0.69 N ATOM 1758 CA ALA B 141 6.867 12.813 14.547 1.00 0.70 C ATOM 1759 C ALA B 141 7.621 12.666 15.853 1.00 0.77 C ATOM 1760 O ALA B 141 7.905 11.573 16.278 1.00 0.87 O ATOM 1761 CB ALA B 141 7.836 12.810 13.372 1.00 0.75 C ATOM 0 H ALA B 141 6.594 14.845 14.161 1.00 0.69 H new ATOM 0 HA ALA B 141 6.186 11.968 14.446 1.00 0.70 H new ATOM 0 HB1 ALA B 141 8.412 11.884 13.378 1.00 0.75 H new ATOM 0 HB2 ALA B 141 7.277 12.884 12.439 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.514 13.659 13.457 1.00 0.75 H new ATOM 1767 N LEU B 142 8.075 13.796 16.373 1.00 0.80 N ATOM 1768 CA LEU B 142 8.937 13.816 17.562 1.00 0.93 C ATOM 1769 C LEU B 142 8.547 12.789 18.625 1.00 1.06 C ATOM 1770 O LEU B 142 9.374 11.949 19.009 1.00 1.24 O ATOM 1771 CB LEU B 142 8.994 15.205 18.172 1.00 0.97 C ATOM 1772 CG LEU B 142 10.165 16.083 17.721 1.00 1.01 C ATOM 1773 CD1 LEU B 142 9.884 17.544 18.037 1.00 1.11 C ATOM 1774 CD2 LEU B 142 11.464 15.638 18.377 1.00 1.14 C ATOM 0 H LEU B 142 7.864 14.719 15.994 1.00 0.80 H new ATOM 0 HA LEU B 142 9.928 13.533 17.208 1.00 0.93 H new ATOM 0 HB2 LEU B 142 8.064 15.723 17.937 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.037 15.104 19.256 1.00 0.97 H new ATOM 0 HG LEU B 142 10.276 15.973 16.642 1.00 1.01 H new ATOM 0 HD11 LEU B 142 10.725 18.155 17.711 1.00 1.11 H new ATOM 0 HD12 LEU B 142 8.981 17.862 17.516 1.00 1.11 H new ATOM 0 HD13 LEU B 142 9.744 17.663 19.111 1.00 1.11 H new ATOM 0 HD21 LEU B 142 12.280 16.278 18.040 1.00 1.14 H new ATOM 0 HD22 LEU B 142 11.369 15.712 19.460 1.00 1.14 H new ATOM 0 HD23 LEU B 142 11.676 14.605 18.101 1.00 1.14 H new ATOM 1786 N ARG B 143 7.300 12.805 19.074 1.00 1.06 N ATOM 1787 CA ARG B 143 6.863 11.814 20.055 1.00 1.26 C ATOM 1788 C ARG B 143 7.119 10.435 19.533 1.00 1.27 C ATOM 1789 O ARG B 143 7.190 9.482 20.321 1.00 1.49 O ATOM 1790 CB ARG B 143 5.374 11.956 20.425 1.00 1.35 C ATOM 1791 CG ARG B 143 4.510 12.632 19.369 1.00 1.36 C ATOM 1792 CD ARG B 143 4.519 14.148 19.521 1.00 1.50 C ATOM 1793 NE ARG B 143 4.384 14.568 20.918 1.00 1.90 N ATOM 1794 CZ ARG B 143 5.158 15.485 21.502 1.00 2.20 C ATOM 1795 NH1 ARG B 143 6.108 16.107 20.812 1.00 2.36 N ATOM 1796 NH2 ARG B 143 4.977 15.785 22.781 1.00 2.93 N ATOM 0 H ARG B 143 6.586 13.474 18.786 1.00 1.06 H new ATOM 0 HA ARG B 143 7.440 11.990 20.963 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.968 10.964 20.624 1.00 1.35 H new ATOM 0 HB3 ARG B 143 5.298 12.523 21.353 1.00 1.35 H new ATOM 0 HG2 ARG B 143 4.871 12.363 18.376 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.487 12.264 19.446 1.00 1.36 H new ATOM 0 HD2 ARG B 143 5.448 14.546 19.112 1.00 1.50 H new ATOM 0 HD3 ARG B 143 3.704 14.574 18.935 1.00 1.50 H new ATOM 0 HE ARG B 143 3.652 14.132 21.480 1.00 1.90 H new ATOM 0 HH11 ARG B 143 6.251 15.885 19.827 1.00 2.36 H new ATOM 0 HH12 ARG B 143 6.694 16.806 21.268 1.00 2.36 H new ATOM 0 HH21 ARG B 143 4.247 15.315 23.317 1.00 2.93 H new ATOM 0 HH22 ARG B 143 5.568 16.486 23.229 1.00 2.93 H new ATOM 1810 N CYS B 144 7.239 10.270 18.213 1.00 1.10 N ATOM 1811 CA CYS B 144 7.450 8.950 17.673 1.00 1.17 C ATOM 1812 C CYS B 144 8.857 8.486 17.890 1.00 1.44 C ATOM 1813 O CYS B 144 9.331 7.615 17.143 1.00 1.61 O ATOM 1814 CB CYS B 144 7.151 8.965 16.164 1.00 1.05 C ATOM 1815 SG CYS B 144 6.820 7.332 15.442 1.00 1.26 S ATOM 0 H CYS B 144 7.193 11.021 17.524 1.00 1.10 H new ATOM 0 HA CYS B 144 6.780 8.262 18.189 1.00 1.17 H new ATOM 0 HB2 CYS B 144 6.290 9.608 15.984 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.998 9.413 15.644 1.00 1.05 H new ATOM 1820 N GLN B 145 9.533 8.928 18.959 1.00 1.58 N ATOM 1821 CA GLN B 145 10.842 8.418 19.249 1.00 1.89 C ATOM 1822 C GLN B 145 10.640 7.129 20.038 1.00 2.14 C ATOM 1823 O GLN B 145 11.491 6.236 20.049 1.00 2.40 O ATOM 1824 CB GLN B 145 11.609 9.447 20.095 1.00 2.00 C ATOM 1825 CG GLN B 145 13.104 9.196 20.170 1.00 2.43 C ATOM 1826 CD GLN B 145 13.666 9.421 21.562 1.00 2.77 C ATOM 1827 OE1 GLN B 145 14.041 8.472 22.251 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.730 10.679 21.982 1.00 3.05 N ATOM 0 H GLN B 145 9.186 9.627 19.616 1.00 1.58 H new ATOM 0 HA GLN B 145 11.415 8.230 18.341 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.439 10.441 19.681 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.200 9.448 21.105 1.00 2.00 H new ATOM 0 HG2 GLN B 145 13.313 8.172 19.859 1.00 2.43 H new ATOM 0 HG3 GLN B 145 13.614 9.853 19.466 1.00 2.43 H new ATOM 0 HE21 GLN B 145 13.408 11.435 21.378 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.101 10.889 22.909 1.00 3.05 H new ATOM 1837 N GLU B 146 9.458 7.019 20.665 1.00 2.12 N ATOM 1838 CA GLU B 146 9.133 5.821 21.426 1.00 2.41 C ATOM 1839 C GLU B 146 8.628 4.723 20.488 1.00 2.40 C ATOM 1840 O GLU B 146 8.193 3.660 20.936 1.00 2.57 O ATOM 1841 CB GLU B 146 8.054 6.125 22.468 1.00 2.47 C ATOM 1842 CG GLU B 146 8.573 6.847 23.698 1.00 2.88 C ATOM 1843 CD GLU B 146 8.416 8.351 23.595 1.00 3.26 C ATOM 1844 OE1 GLU B 146 7.298 8.849 23.843 1.00 3.59 O ATOM 1845 OE2 GLU B 146 9.410 9.029 23.263 1.00 3.76 O ATOM 0 H GLU B 146 8.730 7.734 20.657 1.00 2.12 H new ATOM 0 HA GLU B 146 10.037 5.483 21.933 1.00 2.41 H new ATOM 0 HB2 GLU B 146 7.276 6.731 22.004 1.00 2.47 H new ATOM 0 HB3 GLU B 146 7.588 5.190 22.777 1.00 2.47 H new ATOM 0 HG2 GLU B 146 8.040 6.488 24.578 1.00 2.88 H new ATOM 0 HG3 GLU B 146 9.626 6.603 23.842 1.00 2.88 H new ATOM 1852 N GLU B 147 8.752 4.957 19.178 1.00 2.27 N ATOM 1853 CA GLU B 147 8.354 3.960 18.197 1.00 2.36 C ATOM 1854 C GLU B 147 9.465 2.924 18.033 1.00 2.40 C ATOM 1855 O GLU B 147 9.323 1.963 17.277 1.00 2.48 O ATOM 1856 CB GLU B 147 8.053 4.620 16.847 1.00 2.40 C ATOM 1857 CG GLU B 147 7.202 3.761 15.924 1.00 2.97 C ATOM 1858 CD GLU B 147 7.735 3.723 14.504 1.00 3.47 C ATOM 1859 OE1 GLU B 147 8.566 2.840 14.205 1.00 4.01 O ATOM 1860 OE2 GLU B 147 7.320 4.576 13.691 1.00 3.71 O ATOM 0 H GLU B 147 9.122 5.821 18.782 1.00 2.27 H new ATOM 0 HA GLU B 147 7.448 3.467 18.550 1.00 2.36 H new ATOM 0 HB2 GLU B 147 7.542 5.567 17.021 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.994 4.852 16.348 1.00 2.40 H new ATOM 0 HG2 GLU B 147 7.157 2.746 16.318 1.00 2.97 H new ATOM 0 HG3 GLU B 147 6.182 4.145 15.915 1.00 2.97 H new ATOM 1987 N SER B 156 -4.058 -1.104 8.688 1.00 2.21 N ATOM 1988 CA SER B 156 -4.320 0.212 8.066 1.00 2.03 C ATOM 1989 C SER B 156 -3.036 0.884 7.578 1.00 1.77 C ATOM 1990 O SER B 156 -2.079 1.040 8.336 1.00 2.17 O ATOM 1991 CB SER B 156 -5.019 1.173 9.042 1.00 2.58 C ATOM 1992 OG SER B 156 -6.064 1.886 8.402 1.00 3.11 O ATOM 0 HA SER B 156 -4.970 0.010 7.215 1.00 2.03 H new ATOM 0 HB2 SER B 156 -5.422 0.610 9.884 1.00 2.58 H new ATOM 0 HB3 SER B 156 -4.291 1.876 9.448 1.00 2.58 H new ATOM 0 HG SER B 156 -6.492 2.488 9.046 1.00 3.11 H new ATOM 1998 N GLY B 157 -3.014 1.261 6.302 1.00 1.55 N ATOM 1999 CA GLY B 157 -1.845 1.915 5.745 1.00 1.82 C ATOM 2000 C GLY B 157 -1.043 1.002 4.858 1.00 1.65 C ATOM 2001 O GLY B 157 0.183 1.117 4.790 1.00 2.07 O ATOM 0 H GLY B 157 -3.783 1.125 5.646 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -2.159 2.788 5.173 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -1.213 2.276 6.557 1.00 1.82 H new ATOM 2005 N GLN B 158 -1.725 0.091 4.165 1.00 1.33 N ATOM 2006 CA GLN B 158 -1.024 -0.818 3.282 1.00 1.42 C ATOM 2007 C GLN B 158 -1.529 -0.717 1.845 1.00 1.04 C ATOM 2008 O GLN B 158 -2.102 -1.657 1.294 1.00 0.95 O ATOM 2009 CB GLN B 158 -1.176 -2.252 3.804 1.00 1.93 C ATOM 2010 CG GLN B 158 -0.194 -2.595 4.916 1.00 2.76 C ATOM 2011 CD GLN B 158 -0.800 -3.481 5.988 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -0.789 -4.707 5.876 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -1.329 -2.864 7.038 1.00 4.34 N ATOM 0 H GLN B 158 -2.737 -0.031 4.200 1.00 1.33 H new ATOM 0 HA GLN B 158 0.030 -0.540 3.272 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -2.193 -2.392 4.171 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -1.036 -2.949 2.978 1.00 1.93 H new ATOM 0 HG2 GLN B 158 0.673 -3.096 4.486 1.00 2.76 H new ATOM 0 HG3 GLN B 158 0.165 -1.673 5.374 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -1.317 -1.845 7.091 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -1.748 -3.409 7.792 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.258 0.433 1.243 1.00 1.15 N ATOM 2023 CA LYS B 159 -1.548 0.703 -0.162 1.00 1.13 C ATOM 2024 C LYS B 159 -0.228 0.925 -0.921 1.00 0.95 C ATOM 2025 O LYS B 159 0.068 2.068 -1.284 1.00 0.91 O ATOM 2026 CB LYS B 159 -2.513 1.870 -0.305 1.00 1.54 C ATOM 2027 CG LYS B 159 -3.924 1.428 -0.672 1.00 1.91 C ATOM 2028 CD LYS B 159 -4.171 1.547 -2.168 1.00 2.18 C ATOM 2029 CE LYS B 159 -5.550 1.034 -2.552 1.00 2.81 C ATOM 2030 NZ LYS B 159 -6.632 1.949 -2.095 1.00 3.54 N ATOM 0 H LYS B 159 -0.823 1.220 1.725 1.00 1.15 H new ATOM 0 HA LYS B 159 -2.048 -0.158 -0.606 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -2.544 2.427 0.631 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -2.140 2.552 -1.069 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -4.077 0.396 -0.357 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -4.650 2.037 -0.132 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -4.073 2.589 -2.471 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -3.410 0.985 -2.709 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -5.606 0.919 -3.634 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -5.703 0.046 -2.118 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -7.554 1.571 -2.392 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -6.607 2.026 -1.058 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -6.492 2.890 -2.516 1.00 3.54 H new ATOM 2044 N PRO B 160 0.626 -0.100 -1.086 1.00 1.05 N ATOM 2045 CA PRO B 160 1.958 0.056 -1.705 1.00 1.14 C ATOM 2046 C PRO B 160 2.035 0.657 -3.116 1.00 1.10 C ATOM 2047 O PRO B 160 2.239 -0.049 -4.105 1.00 1.23 O ATOM 2048 CB PRO B 160 2.531 -1.359 -1.716 1.00 1.46 C ATOM 2049 CG PRO B 160 1.369 -2.258 -1.471 1.00 1.51 C ATOM 2050 CD PRO B 160 0.427 -1.474 -0.605 1.00 1.27 C ATOM 0 HA PRO B 160 2.507 0.795 -1.121 1.00 1.14 H new ATOM 0 HB2 PRO B 160 3.007 -1.583 -2.671 1.00 1.46 H new ATOM 0 HB3 PRO B 160 3.292 -1.481 -0.945 1.00 1.46 H new ATOM 0 HG2 PRO B 160 0.892 -2.546 -2.408 1.00 1.51 H new ATOM 0 HG3 PRO B 160 1.682 -3.178 -0.977 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -0.605 -1.802 -0.727 1.00 1.27 H new ATOM 0 HD3 PRO B 160 0.670 -1.573 0.453 1.00 1.27 H new ATOM 2058 N CYS B 161 2.006 1.978 -3.158 1.00 1.09 N ATOM 2059 CA CYS B 161 2.207 2.749 -4.386 1.00 1.15 C ATOM 2060 C CYS B 161 3.678 3.193 -4.382 1.00 1.37 C ATOM 2061 O CYS B 161 4.423 2.791 -3.484 1.00 1.58 O ATOM 2062 CB CYS B 161 1.250 3.942 -4.531 1.00 1.32 C ATOM 2063 SG CYS B 161 0.640 4.643 -2.967 1.00 1.58 S ATOM 0 H CYS B 161 1.841 2.557 -2.335 1.00 1.09 H new ATOM 0 HA CYS B 161 1.979 2.126 -5.251 1.00 1.15 H new ATOM 0 HB2 CYS B 161 1.758 4.729 -5.089 1.00 1.32 H new ATOM 0 HB3 CYS B 161 0.394 3.629 -5.129 1.00 1.32 H new ATOM 2068 N GLY B 162 4.100 4.058 -5.303 1.00 1.57 N ATOM 2069 CA GLY B 162 5.481 4.520 -5.268 1.00 1.88 C ATOM 2070 C GLY B 162 6.478 3.411 -5.534 1.00 2.05 C ATOM 2071 O GLY B 162 6.117 2.335 -6.012 1.00 2.37 O ATOM 0 H GLY B 162 3.528 4.440 -6.056 1.00 1.57 H new ATOM 0 HA2 GLY B 162 5.615 5.308 -6.009 1.00 1.88 H new ATOM 0 HA3 GLY B 162 5.687 4.961 -4.293 1.00 1.88 H new ATOM 2075 N SER B 163 7.740 3.682 -5.239 1.00 2.40 N ATOM 2076 CA SER B 163 8.804 2.706 -5.467 1.00 2.93 C ATOM 2077 C SER B 163 8.901 1.750 -4.295 1.00 2.71 C ATOM 2078 O SER B 163 9.986 1.353 -3.871 1.00 3.29 O ATOM 2079 CB SER B 163 10.147 3.408 -5.690 1.00 3.81 C ATOM 2080 OG SER B 163 10.312 4.494 -4.797 1.00 4.07 O ATOM 0 H SER B 163 8.056 4.567 -4.842 1.00 2.40 H new ATOM 0 HA SER B 163 8.560 2.139 -6.365 1.00 2.93 H new ATOM 0 HB2 SER B 163 10.960 2.695 -5.554 1.00 3.81 H new ATOM 0 HB3 SER B 163 10.207 3.767 -6.718 1.00 3.81 H new ATOM 0 HG SER B 163 11.178 4.923 -4.960 1.00 4.07 H new ATOM 2086 N GLY B 164 7.726 1.370 -3.782 1.00 2.12 N ATOM 2087 CA GLY B 164 7.653 0.444 -2.678 1.00 2.11 C ATOM 2088 C GLY B 164 6.948 0.944 -1.410 1.00 1.92 C ATOM 2089 O GLY B 164 6.980 0.221 -0.411 1.00 2.20 O ATOM 0 H GLY B 164 6.821 1.696 -4.122 1.00 2.12 H new ATOM 0 HA2 GLY B 164 7.141 -0.455 -3.021 1.00 2.11 H new ATOM 0 HA3 GLY B 164 8.668 0.151 -2.411 1.00 2.11 H new ATOM 2093 N GLY B 165 6.341 2.146 -1.376 1.00 1.61 N ATOM 2094 CA GLY B 165 5.705 2.581 -0.126 1.00 1.60 C ATOM 2095 C GLY B 165 4.189 2.427 -0.113 1.00 1.42 C ATOM 2096 O GLY B 165 3.555 2.380 -1.159 1.00 1.62 O ATOM 0 H GLY B 165 6.279 2.800 -2.156 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.125 2.008 0.701 1.00 1.60 H new ATOM 0 HA3 GLY B 165 5.955 3.627 0.051 1.00 1.60 H new ATOM 2100 N ARG B 166 3.620 2.319 1.094 1.00 1.16 N ATOM 2101 CA ARG B 166 2.172 2.145 1.274 1.00 1.03 C ATOM 2102 C ARG B 166 1.471 3.466 1.599 1.00 0.95 C ATOM 2103 O ARG B 166 2.066 4.362 2.199 1.00 1.04 O ATOM 2104 CB ARG B 166 1.894 1.130 2.380 1.00 1.08 C ATOM 2105 CG ARG B 166 2.729 1.356 3.629 1.00 1.23 C ATOM 2106 CD ARG B 166 3.675 0.197 3.882 1.00 1.39 C ATOM 2107 NE ARG B 166 3.136 -0.728 4.873 1.00 1.79 N ATOM 2108 CZ ARG B 166 3.830 -1.201 5.912 1.00 2.31 C ATOM 2109 NH1 ARG B 166 5.098 -0.847 6.095 1.00 2.54 N ATOM 2110 NH2 ARG B 166 3.252 -2.029 6.771 1.00 3.05 N ATOM 0 H ARG B 166 4.145 2.349 1.968 1.00 1.16 H new ATOM 0 HA ARG B 166 1.771 1.778 0.329 1.00 1.03 H new ATOM 0 HB2 ARG B 166 0.838 1.173 2.645 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.087 0.127 1.999 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.301 2.278 3.524 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.072 1.485 4.489 1.00 1.23 H new ATOM 0 HD2 ARG B 166 3.858 -0.335 2.948 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.636 0.579 4.225 1.00 1.39 H new ATOM 0 HE ARG B 166 2.169 -1.033 4.766 1.00 1.79 H new ATOM 0 HH11 ARG B 166 5.549 -0.209 5.439 1.00 2.54 H new ATOM 0 HH12 ARG B 166 5.620 -1.213 6.891 1.00 2.54 H new ATOM 0 HH21 ARG B 166 2.279 -2.304 6.638 1.00 3.05 H new ATOM 0 HH22 ARG B 166 3.780 -2.391 7.565 1.00 3.05 H new ATOM 2124 N CYS B 167 0.192 3.569 1.220 1.00 0.87 N ATOM 2125 CA CYS B 167 -0.594 4.744 1.486 1.00 0.88 C ATOM 2126 C CYS B 167 -0.910 4.820 2.961 1.00 0.88 C ATOM 2127 O CYS B 167 -1.763 4.087 3.464 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.893 4.731 0.663 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.796 5.670 -0.902 1.00 1.56 S ATOM 0 H CYS B 167 -0.311 2.834 0.723 1.00 0.87 H new ATOM 0 HA CYS B 167 -0.019 5.623 1.195 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -2.157 3.698 0.438 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -2.699 5.141 1.271 1.00 0.94 H new ATOM 2134 N ALA B 168 -0.264 5.733 3.635 1.00 0.90 N ATOM 2135 CA ALA B 168 -0.512 5.944 5.048 1.00 0.95 C ATOM 2136 C ALA B 168 -1.538 7.045 5.207 1.00 0.96 C ATOM 2137 O ALA B 168 -2.123 7.228 6.279 1.00 1.04 O ATOM 2138 CB ALA B 168 0.767 6.319 5.781 1.00 0.96 C ATOM 0 H ALA B 168 0.442 6.349 3.232 1.00 0.90 H new ATOM 0 HA ALA B 168 -0.886 5.017 5.482 1.00 0.95 H new ATOM 0 HB1 ALA B 168 0.549 6.471 6.838 1.00 0.96 H new ATOM 0 HB2 ALA B 168 1.497 5.517 5.672 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.172 7.238 5.358 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.776 7.769 4.115 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.726 8.866 4.119 1.00 0.94 C ATOM 2146 C ALA B 169 -3.027 9.339 2.691 1.00 0.91 C ATOM 2147 O ALA B 169 -2.301 9.011 1.749 1.00 0.87 O ATOM 2148 CB ALA B 169 -2.177 10.005 4.938 1.00 0.98 C ATOM 0 H ALA B 169 -1.320 7.611 3.217 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.659 8.516 4.561 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.891 10.829 4.941 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -2.007 9.669 5.961 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -1.235 10.343 4.506 1.00 0.98 H new ATOM 2154 N ALA B 170 -4.112 10.092 2.540 1.00 0.98 N ATOM 2155 CA ALA B 170 -4.533 10.593 1.234 1.00 1.00 C ATOM 2156 C ALA B 170 -3.482 11.461 0.537 1.00 1.04 C ATOM 2157 O ALA B 170 -3.034 12.474 1.076 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.859 11.347 1.329 1.00 1.15 C ATOM 0 H ALA B 170 -4.720 10.371 3.310 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.665 9.706 0.615 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -6.145 11.707 0.341 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -6.631 10.678 1.709 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.748 12.194 2.006 1.00 1.15 H new ATOM 2164 N GLY B 171 -3.099 11.032 -0.677 1.00 1.15 N ATOM 2165 CA GLY B 171 -2.098 11.748 -1.474 1.00 1.28 C ATOM 2166 C GLY B 171 -0.765 11.812 -0.755 1.00 1.22 C ATOM 2167 O GLY B 171 0.043 12.718 -0.964 1.00 1.29 O ATOM 0 H GLY B 171 -3.469 10.193 -1.125 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.972 11.250 -2.435 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -2.450 12.758 -1.682 1.00 1.28 H new ATOM 2171 N ILE B 172 -0.488 10.735 -0.054 1.00 1.13 N ATOM 2172 CA ILE B 172 0.804 10.548 0.599 1.00 1.09 C ATOM 2173 C ILE B 172 1.159 9.069 0.731 1.00 1.02 C ATOM 2174 O ILE B 172 0.710 8.368 1.654 1.00 1.34 O ATOM 2175 CB ILE B 172 0.901 11.304 1.929 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.038 10.679 2.998 1.00 1.09 C ATOM 2177 CG2 ILE B 172 0.566 12.775 1.744 1.00 2.27 C ATOM 2178 CD1 ILE B 172 0.916 10.058 4.021 1.00 0.91 C ATOM 0 H ILE B 172 -1.142 9.964 0.084 1.00 1.13 H new ATOM 0 HA ILE B 172 1.559 10.993 -0.050 1.00 1.09 H new ATOM 0 HB ILE B 172 1.934 11.231 2.268 1.00 1.53 H new ATOM 0 HG12 ILE B 172 -0.600 11.434 3.457 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.620 9.929 2.560 1.00 1.09 H new ATOM 0 HG21 ILE B 172 0.642 13.289 2.702 1.00 2.27 H new ATOM 0 HG22 ILE B 172 1.265 13.221 1.036 1.00 2.27 H new ATOM 0 HG23 ILE B 172 -0.450 12.871 1.360 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.303 9.603 4.799 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.535 9.293 3.553 1.00 0.91 H new ATOM 0 HD13 ILE B 172 1.556 10.822 4.463 1.00 0.91 H new ATOM 2190 N CYS B 173 1.972 8.609 -0.209 1.00 0.81 N ATOM 2191 CA CYS B 173 2.418 7.227 -0.252 1.00 1.04 C ATOM 2192 C CYS B 173 3.819 7.109 0.332 1.00 1.06 C ATOM 2193 O CYS B 173 4.810 7.167 -0.396 1.00 1.19 O ATOM 2194 CB CYS B 173 2.410 6.737 -1.698 1.00 1.17 C ATOM 2195 SG CYS B 173 2.326 4.930 -1.879 1.00 1.94 S ATOM 0 H CYS B 173 2.341 9.186 -0.965 1.00 0.81 H new ATOM 0 HA CYS B 173 1.742 6.612 0.342 1.00 1.04 H new ATOM 0 HB2 CYS B 173 1.559 7.181 -2.215 1.00 1.17 H new ATOM 0 HB3 CYS B 173 3.310 7.098 -2.196 1.00 1.17 H new ATOM 2200 N CYS B 174 3.897 6.965 1.649 1.00 0.97 N ATOM 2201 CA CYS B 174 5.185 6.861 2.326 1.00 0.99 C ATOM 2202 C CYS B 174 5.594 5.400 2.514 1.00 1.16 C ATOM 2203 O CYS B 174 4.752 4.528 2.728 1.00 1.35 O ATOM 2204 CB CYS B 174 5.157 7.567 3.694 1.00 1.12 C ATOM 2205 SG CYS B 174 4.046 9.018 3.822 1.00 1.26 S ATOM 0 H CYS B 174 3.088 6.918 2.268 1.00 0.97 H new ATOM 0 HA CYS B 174 5.920 7.355 1.691 1.00 0.99 H new ATOM 0 HB2 CYS B 174 4.862 6.840 4.451 1.00 1.12 H new ATOM 0 HB3 CYS B 174 6.170 7.887 3.937 1.00 1.12 H new ATOM 2210 N SER B 175 6.898 5.151 2.441 1.00 1.15 N ATOM 2211 CA SER B 175 7.448 3.807 2.610 1.00 1.38 C ATOM 2212 C SER B 175 8.207 3.714 3.936 1.00 1.29 C ATOM 2213 O SER B 175 8.271 4.694 4.678 1.00 1.12 O ATOM 2214 CB SER B 175 8.380 3.468 1.443 1.00 1.48 C ATOM 2215 OG SER B 175 9.394 4.448 1.299 1.00 2.00 O ATOM 0 H SER B 175 7.601 5.869 2.264 1.00 1.15 H new ATOM 0 HA SER B 175 6.628 3.089 2.623 1.00 1.38 H new ATOM 0 HB2 SER B 175 8.835 2.491 1.608 1.00 1.48 H new ATOM 0 HB3 SER B 175 7.803 3.399 0.521 1.00 1.48 H new ATOM 0 HG SER B 175 9.977 4.208 0.549 1.00 2.00 H new ATOM 2221 N PRO B 176 8.797 2.545 4.271 1.00 1.49 N ATOM 2222 CA PRO B 176 9.537 2.389 5.524 1.00 1.45 C ATOM 2223 C PRO B 176 10.920 3.023 5.438 1.00 1.20 C ATOM 2224 O PRO B 176 11.863 2.593 6.102 1.00 1.25 O ATOM 2225 CB PRO B 176 9.646 0.874 5.678 1.00 1.77 C ATOM 2226 CG PRO B 176 9.660 0.359 4.281 1.00 1.90 C ATOM 2227 CD PRO B 176 8.792 1.296 3.477 1.00 1.81 C ATOM 0 HA PRO B 176 9.046 2.876 6.366 1.00 1.45 H new ATOM 0 HB2 PRO B 176 10.553 0.593 6.214 1.00 1.77 H new ATOM 0 HB3 PRO B 176 8.805 0.470 6.242 1.00 1.77 H new ATOM 0 HG2 PRO B 176 10.676 0.334 3.886 1.00 1.90 H new ATOM 0 HG3 PRO B 176 9.276 -0.660 4.238 1.00 1.90 H new ATOM 0 HD2 PRO B 176 9.194 1.456 2.477 1.00 1.81 H new ATOM 0 HD3 PRO B 176 7.783 0.902 3.356 1.00 1.81 H new ATOM 2235 N ASP B 177 11.016 4.061 4.613 1.00 1.01 N ATOM 2236 CA ASP B 177 12.260 4.794 4.418 1.00 0.92 C ATOM 2237 C ASP B 177 11.968 6.280 4.207 1.00 0.83 C ATOM 2238 O ASP B 177 12.779 7.139 4.553 1.00 0.90 O ATOM 2239 CB ASP B 177 13.029 4.232 3.219 1.00 1.18 C ATOM 2240 CG ASP B 177 14.531 4.249 3.431 1.00 1.96 C ATOM 2241 OD1 ASP B 177 15.065 3.261 3.977 1.00 2.51 O ATOM 2242 OD2 ASP B 177 15.173 5.250 3.049 1.00 2.72 O ATOM 0 H ASP B 177 10.235 4.416 4.062 1.00 1.01 H new ATOM 0 HA ASP B 177 12.875 4.679 5.310 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.704 3.209 3.030 1.00 1.18 H new ATOM 0 HB3 ASP B 177 12.784 4.813 2.330 1.00 1.18 H new ATOM 2247 N GLY B 178 10.794 6.570 3.641 1.00 0.89 N ATOM 2248 CA GLY B 178 10.398 7.948 3.393 1.00 0.87 C ATOM 2249 C GLY B 178 8.921 8.078 3.043 1.00 0.85 C ATOM 2250 O GLY B 178 8.089 7.326 3.549 1.00 0.99 O ATOM 0 H GLY B 178 10.110 5.872 3.350 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.613 8.549 4.277 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.998 8.354 2.578 1.00 0.87 H new ATOM 2254 N CYS B 179 8.603 9.031 2.168 1.00 0.78 N ATOM 2255 CA CYS B 179 7.223 9.267 1.733 1.00 0.79 C ATOM 2256 C CYS B 179 7.211 9.726 0.278 1.00 0.77 C ATOM 2257 O CYS B 179 8.256 10.117 -0.247 1.00 0.88 O ATOM 2258 CB CYS B 179 6.535 10.297 2.620 1.00 0.92 C ATOM 2259 SG CYS B 179 4.725 10.329 2.425 1.00 1.34 S ATOM 0 H CYS B 179 9.286 9.657 1.743 1.00 0.78 H new ATOM 0 HA CYS B 179 6.670 8.331 1.819 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.777 10.087 3.662 1.00 0.92 H new ATOM 0 HB3 CYS B 179 6.935 11.285 2.393 1.00 0.92 H new ATOM 2264 N HIS B 180 6.059 9.633 -0.403 1.00 0.70 N ATOM 2265 CA HIS B 180 6.024 9.997 -1.828 1.00 0.75 C ATOM 2266 C HIS B 180 4.648 10.439 -2.245 1.00 0.69 C ATOM 2267 O HIS B 180 3.649 9.816 -1.885 1.00 0.66 O ATOM 2268 CB HIS B 180 6.442 8.813 -2.708 1.00 0.89 C ATOM 2269 CG HIS B 180 7.920 8.591 -2.782 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.804 9.541 -3.250 1.00 1.60 N ATOM 2271 CD2 HIS B 180 8.668 7.512 -2.454 1.00 1.70 C ATOM 2272 CE1 HIS B 180 10.032 9.054 -3.207 1.00 2.03 C ATOM 2273 NE2 HIS B 180 9.977 7.826 -2.727 1.00 2.10 N ATOM 0 H HIS B 180 5.171 9.321 -0.010 1.00 0.70 H new ATOM 0 HA HIS B 180 6.726 10.820 -1.961 1.00 0.75 H new ATOM 0 HB2 HIS B 180 5.969 7.908 -2.327 1.00 0.89 H new ATOM 0 HB3 HIS B 180 6.060 8.972 -3.716 1.00 0.89 H new ATOM 0 HD2 HIS B 180 8.304 6.578 -2.052 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.928 9.573 -3.513 1.00 2.03 H new ATOM 0 HE2 HIS B 180 10.777 7.210 -2.582 1.00 2.10 H new ATOM 2282 N GLU B 181 4.581 11.549 -2.983 1.00 0.75 N ATOM 2283 CA GLU B 181 3.298 12.087 -3.423 1.00 0.77 C ATOM 2284 C GLU B 181 2.575 11.059 -4.280 1.00 0.73 C ATOM 2285 O GLU B 181 3.167 10.459 -5.176 1.00 0.94 O ATOM 2286 CB GLU B 181 3.498 13.386 -4.211 1.00 0.93 C ATOM 2287 CG GLU B 181 4.361 14.412 -3.494 1.00 1.69 C ATOM 2288 CD GLU B 181 5.293 15.150 -4.435 1.00 2.34 C ATOM 2289 OE1 GLU B 181 5.884 14.495 -5.320 1.00 3.06 O ATOM 2290 OE2 GLU B 181 5.432 16.383 -4.289 1.00 2.69 O ATOM 0 H GLU B 181 5.394 12.087 -3.285 1.00 0.75 H new ATOM 0 HA GLU B 181 2.693 12.310 -2.544 1.00 0.77 H new ATOM 0 HB2 GLU B 181 3.954 13.150 -5.173 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.523 13.827 -4.420 1.00 0.93 H new ATOM 0 HG2 GLU B 181 3.718 15.132 -2.987 1.00 1.69 H new ATOM 0 HG3 GLU B 181 4.949 13.912 -2.724 1.00 1.69 H new ATOM 2297 N ASP B 182 1.305 10.839 -3.983 1.00 0.77 N ATOM 2298 CA ASP B 182 0.524 9.857 -4.712 1.00 0.79 C ATOM 2299 C ASP B 182 -0.908 10.378 -4.969 1.00 0.97 C ATOM 2300 O ASP B 182 -1.678 10.573 -4.030 1.00 1.22 O ATOM 2301 CB ASP B 182 0.574 8.518 -3.928 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.559 8.319 -2.929 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -1.695 8.041 -3.367 1.00 2.06 O ATOM 2304 OD2 ASP B 182 -0.303 8.433 -1.711 1.00 1.88 O ATOM 0 H ASP B 182 0.796 11.325 -3.245 1.00 0.77 H new ATOM 0 HA ASP B 182 0.943 9.679 -5.702 1.00 0.79 H new ATOM 0 HB2 ASP B 182 0.559 7.695 -4.642 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.523 8.460 -3.395 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.271 10.644 -6.251 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.596 11.179 -6.612 1.00 1.41 C ATOM 2311 C PRO B 183 -3.733 10.172 -6.446 1.00 1.28 C ATOM 2312 O PRO B 183 -4.897 10.557 -6.343 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.451 11.562 -8.094 1.00 1.79 C ATOM 2314 CG PRO B 183 -0.988 11.505 -8.385 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.422 10.483 -7.444 1.00 1.41 C ATOM 0 HA PRO B 183 -2.863 12.008 -5.957 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.004 10.873 -8.732 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.849 12.559 -8.281 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -0.807 11.224 -9.422 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.521 12.478 -8.232 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.485 9.475 -7.854 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.628 10.672 -7.223 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.401 8.888 -6.435 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.412 7.846 -6.295 1.00 1.18 C ATOM 2325 C ALA B 184 -5.119 7.928 -4.943 1.00 1.22 C ATOM 2326 O ALA B 184 -6.330 7.724 -4.853 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.783 6.473 -6.480 1.00 1.21 C ATOM 0 H ALA B 184 -2.445 8.543 -6.521 1.00 1.13 H new ATOM 0 HA ALA B 184 -5.161 8.002 -7.071 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.549 5.705 -6.373 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -3.339 6.407 -7.473 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -3.010 6.322 -5.726 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.354 8.215 -3.895 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.903 8.310 -2.543 1.00 1.23 C ATOM 2335 C CYS B 185 -5.190 9.745 -2.131 1.00 1.50 C ATOM 2336 O CYS B 185 -5.645 9.969 -1.027 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.915 7.735 -1.517 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.725 5.921 -1.506 1.00 1.46 S ATOM 0 H CYS B 185 -3.350 8.386 -3.954 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.834 7.744 -2.559 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.937 8.180 -1.698 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -4.231 8.052 -0.523 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.910 10.709 -2.990 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.095 12.121 -2.622 1.00 1.92 C ATOM 2345 C ASP B 186 -6.558 12.492 -2.404 1.00 1.82 C ATOM 2346 O ASP B 186 -6.919 13.000 -1.342 1.00 2.28 O ATOM 2347 CB ASP B 186 -4.487 13.027 -3.693 1.00 2.44 C ATOM 2348 CG ASP B 186 -3.712 14.186 -3.095 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -4.345 15.065 -2.474 1.00 3.49 O ATOM 2350 OD2 ASP B 186 -2.473 14.213 -3.247 1.00 3.61 O ATOM 0 H ASP B 186 -4.559 10.555 -3.935 1.00 1.54 H new ATOM 0 HA ASP B 186 -4.582 12.267 -1.671 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -3.825 12.440 -4.329 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -5.281 13.415 -4.331 1.00 2.44 H new