USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -22:sc= -2.22! USER MOD Single : A 45 GLN : amide:sc=-0.00368 X(o=-0.0037,f=-0.0037) 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= 0.00785 USER MOD Single : A 75 SER OG : rot 180:sc= -0.031 USER MOD Single : A 80 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.18) USER MOD Single : B 110 CYS SG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 138 THR OG1 : rot -13:sc= -2.39! USER MOD Single : B 145 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.016) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 180:sc= -0.0181 USER MOD Single : B 180 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 11.066 33.058 -0.064 1.00 2.54 N ATOM 146 CA CYS A 10 11.020 32.106 1.042 1.00 1.93 C ATOM 147 C CYS A 10 9.596 31.751 1.451 1.00 1.72 C ATOM 148 O CYS A 10 9.187 31.992 2.588 1.00 1.97 O ATOM 149 CB CYS A 10 11.864 32.560 2.229 1.00 2.28 C ATOM 150 SG CYS A 10 13.542 31.812 2.297 1.00 2.68 S ATOM 0 HA CYS A 10 11.470 31.185 0.671 1.00 1.93 H new ATOM 0 HB2 CYS A 10 11.964 33.645 2.194 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.334 32.318 3.150 1.00 2.28 H new ATOM 0 HG CYS A 10 14.176 32.263 3.338 1.00 2.68 H new ATOM 155 N LEU A 11 8.852 31.176 0.514 1.00 1.49 N ATOM 156 CA LEU A 11 7.475 30.740 0.745 1.00 1.39 C ATOM 157 C LEU A 11 7.262 30.183 2.156 1.00 1.20 C ATOM 158 O LEU A 11 7.789 29.127 2.482 1.00 1.16 O ATOM 159 CB LEU A 11 7.075 29.694 -0.289 1.00 1.55 C ATOM 160 CG LEU A 11 5.766 29.989 -1.024 1.00 1.91 C ATOM 161 CD1 LEU A 11 5.734 29.265 -2.357 1.00 2.48 C ATOM 162 CD2 LEU A 11 4.568 29.588 -0.176 1.00 2.29 C ATOM 0 H LEU A 11 9.186 30.997 -0.433 1.00 1.49 H new ATOM 0 HA LEU A 11 6.842 31.622 0.646 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.876 29.604 -1.023 1.00 1.55 H new ATOM 0 HB3 LEU A 11 6.987 28.727 0.207 1.00 1.55 H new ATOM 0 HG LEU A 11 5.712 31.062 -1.207 1.00 1.91 H new ATOM 0 HD11 LEU A 11 4.797 29.485 -2.868 1.00 2.48 H new ATOM 0 HD12 LEU A 11 6.570 29.599 -2.972 1.00 2.48 H new ATOM 0 HD13 LEU A 11 5.813 28.191 -2.190 1.00 2.48 H new ATOM 0 HD21 LEU A 11 3.648 29.807 -0.719 1.00 2.29 H new ATOM 0 HD22 LEU A 11 4.616 28.521 0.040 1.00 2.29 H new ATOM 0 HD23 LEU A 11 4.580 30.149 0.759 1.00 2.29 H new ATOM 174 N PRO A 12 6.490 30.853 3.014 1.00 1.19 N ATOM 175 CA PRO A 12 6.245 30.365 4.367 1.00 1.11 C ATOM 176 C PRO A 12 4.995 29.486 4.491 1.00 1.01 C ATOM 177 O PRO A 12 4.028 29.687 3.757 1.00 1.05 O ATOM 178 CB PRO A 12 6.007 31.667 5.119 1.00 1.29 C ATOM 179 CG PRO A 12 5.307 32.545 4.129 1.00 1.49 C ATOM 180 CD PRO A 12 5.797 32.131 2.759 1.00 1.39 C ATOM 0 HA PRO A 12 7.062 29.739 4.725 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.398 31.507 6.009 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.945 32.112 5.451 1.00 1.29 H new ATOM 0 HG2 PRO A 12 4.226 32.429 4.205 1.00 1.49 H new ATOM 0 HG3 PRO A 12 5.529 33.595 4.318 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.972 32.007 2.058 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.470 32.874 2.332 1.00 1.39 H new ATOM 188 N CYS A 13 5.027 28.463 5.367 1.00 0.93 N ATOM 189 CA CYS A 13 3.857 27.597 5.489 1.00 0.89 C ATOM 190 C CYS A 13 3.629 27.074 6.909 1.00 0.90 C ATOM 191 O CYS A 13 4.350 27.409 7.846 1.00 1.00 O ATOM 192 CB CYS A 13 3.994 26.430 4.524 1.00 0.82 C ATOM 193 SG CYS A 13 5.296 25.240 4.958 1.00 0.86 S ATOM 0 H CYS A 13 5.815 28.229 5.971 1.00 0.93 H new ATOM 0 HA CYS A 13 2.985 28.204 5.243 1.00 0.89 H new ATOM 0 HB2 CYS A 13 3.041 25.904 4.473 1.00 0.82 H new ATOM 0 HB3 CYS A 13 4.195 26.822 3.527 1.00 0.82 H new ATOM 198 N GLY A 14 2.648 26.191 7.037 1.00 0.91 N ATOM 199 CA GLY A 14 2.357 25.568 8.315 1.00 0.98 C ATOM 200 C GLY A 14 1.670 26.493 9.296 1.00 1.10 C ATOM 201 O GLY A 14 1.158 27.542 8.902 1.00 1.15 O ATOM 0 H GLY A 14 2.043 25.892 6.272 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.726 24.695 8.149 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.287 25.210 8.756 1.00 0.98 H new ATOM 205 N PRO A 15 1.697 26.165 10.598 1.00 1.19 N ATOM 206 CA PRO A 15 1.123 27.011 11.670 1.00 1.33 C ATOM 207 C PRO A 15 1.872 28.333 11.719 1.00 1.40 C ATOM 208 O PRO A 15 2.936 28.430 12.321 1.00 1.57 O ATOM 209 CB PRO A 15 1.424 26.180 12.909 1.00 1.46 C ATOM 210 CG PRO A 15 2.724 25.666 12.497 1.00 1.39 C ATOM 211 CD PRO A 15 2.391 25.018 11.198 1.00 1.21 C ATOM 0 HA PRO A 15 0.067 27.253 11.550 1.00 1.33 H new ATOM 0 HB2 PRO A 15 1.472 26.777 13.820 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.690 25.393 13.082 1.00 1.46 H new ATOM 0 HG2 PRO A 15 3.461 26.461 12.382 1.00 1.39 H new ATOM 0 HG3 PRO A 15 3.131 24.956 13.217 1.00 1.39 H new ATOM 0 HD2 PRO A 15 3.271 24.706 10.635 1.00 1.21 H new ATOM 0 HD3 PRO A 15 1.755 24.140 11.307 1.00 1.21 H new ATOM 219 N GLY A 16 1.297 29.347 11.163 1.00 1.34 N ATOM 220 CA GLY A 16 1.910 30.650 11.190 1.00 1.47 C ATOM 221 C GLY A 16 2.937 30.813 10.100 1.00 1.43 C ATOM 222 O GLY A 16 3.634 31.828 10.047 1.00 1.68 O ATOM 0 H GLY A 16 0.399 29.307 10.680 1.00 1.34 H new ATOM 0 HA2 GLY A 16 1.141 31.415 11.081 1.00 1.47 H new ATOM 0 HA3 GLY A 16 2.382 30.809 12.160 1.00 1.47 H new ATOM 226 N GLY A 17 2.915 29.876 9.151 1.00 1.28 N ATOM 227 CA GLY A 17 3.772 30.035 8.044 1.00 1.25 C ATOM 228 C GLY A 17 5.169 30.278 8.569 1.00 1.24 C ATOM 229 O GLY A 17 5.930 31.120 8.091 1.00 1.36 O ATOM 0 H GLY A 17 2.328 29.042 9.149 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.750 29.146 7.414 1.00 1.25 H new ATOM 0 HA3 GLY A 17 3.446 30.871 7.426 1.00 1.25 H new ATOM 233 N LYS A 18 5.528 29.389 9.497 1.00 1.18 N ATOM 234 CA LYS A 18 6.849 29.325 10.071 1.00 1.23 C ATOM 235 C LYS A 18 7.683 28.226 9.432 1.00 1.13 C ATOM 236 O LYS A 18 8.728 27.886 9.992 1.00 1.22 O ATOM 237 CB LYS A 18 6.787 29.056 11.581 1.00 1.28 C ATOM 238 CG LYS A 18 5.440 29.325 12.239 1.00 1.34 C ATOM 239 CD LYS A 18 5.598 30.158 13.508 1.00 1.73 C ATOM 240 CE LYS A 18 5.286 29.361 14.776 1.00 1.91 C ATOM 241 NZ LYS A 18 6.447 28.543 15.236 1.00 2.50 N ATOM 0 H LYS A 18 4.889 28.687 9.869 1.00 1.18 H new ATOM 0 HA LYS A 18 7.312 30.294 9.883 1.00 1.23 H new ATOM 0 HB2 LYS A 18 7.057 28.015 11.759 1.00 1.28 H new ATOM 0 HB3 LYS A 18 7.541 29.670 12.073 1.00 1.28 H new ATOM 0 HG2 LYS A 18 4.788 29.847 11.538 1.00 1.34 H new ATOM 0 HG3 LYS A 18 4.956 28.379 12.481 1.00 1.34 H new ATOM 0 HD2 LYS A 18 6.618 30.539 13.564 1.00 1.73 H new ATOM 0 HD3 LYS A 18 4.937 31.023 13.455 1.00 1.73 H new ATOM 0 HE2 LYS A 18 4.992 30.048 15.570 1.00 1.91 H new ATOM 0 HE3 LYS A 18 4.435 28.706 14.590 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 6.185 28.022 16.097 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 6.713 27.868 14.491 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 7.253 29.168 15.441 1.00 2.50 H new ATOM 255 N GLY A 19 7.367 27.694 8.255 1.00 1.02 N ATOM 256 CA GLY A 19 8.179 26.700 7.593 1.00 0.95 C ATOM 257 C GLY A 19 8.312 27.209 6.167 1.00 0.91 C ATOM 258 O GLY A 19 7.844 28.308 5.894 1.00 1.00 O ATOM 0 H GLY A 19 6.528 27.950 7.735 1.00 1.02 H new ATOM 0 HA2 GLY A 19 9.153 26.600 8.072 1.00 0.95 H new ATOM 0 HA3 GLY A 19 7.707 25.718 7.622 1.00 0.95 H new ATOM 262 N ARG A 20 8.962 26.511 5.269 1.00 0.86 N ATOM 263 CA ARG A 20 9.059 26.999 3.895 1.00 0.86 C ATOM 264 C ARG A 20 8.522 25.925 2.930 1.00 0.80 C ATOM 265 O ARG A 20 8.205 24.819 3.363 1.00 0.78 O ATOM 266 CB ARG A 20 10.485 27.401 3.583 1.00 0.94 C ATOM 267 CG ARG A 20 10.662 28.909 3.472 1.00 1.13 C ATOM 268 CD ARG A 20 10.860 29.562 4.833 1.00 1.55 C ATOM 269 NE ARG A 20 12.178 30.183 4.949 1.00 1.82 N ATOM 270 CZ ARG A 20 13.286 29.524 5.286 1.00 2.25 C ATOM 271 NH1 ARG A 20 13.239 28.234 5.588 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.446 30.164 5.334 1.00 2.92 N ATOM 0 H ARG A 20 9.426 25.621 5.448 1.00 0.86 H new ATOM 0 HA ARG A 20 8.445 27.891 3.769 1.00 0.86 H new ATOM 0 HB2 ARG A 20 11.144 27.019 4.362 1.00 0.94 H new ATOM 0 HB3 ARG A 20 10.793 26.934 2.648 1.00 0.94 H new ATOM 0 HG2 ARG A 20 11.520 29.127 2.837 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.788 29.342 2.986 1.00 1.13 H new ATOM 0 HD2 ARG A 20 10.088 30.315 4.991 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.740 28.814 5.616 1.00 1.55 H new ATOM 0 HE ARG A 20 12.254 31.182 4.760 1.00 1.82 H new ATOM 0 HH11 ARG A 20 12.349 27.737 5.564 1.00 2.59 H new ATOM 0 HH12 ARG A 20 14.093 27.739 5.845 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.489 31.159 5.113 1.00 2.92 H new ATOM 0 HH22 ARG A 20 15.295 29.662 5.592 1.00 2.92 H new ATOM 286 N CYS A 21 8.383 26.231 1.636 1.00 0.82 N ATOM 287 CA CYS A 21 7.839 25.238 0.697 1.00 0.81 C ATOM 288 C CYS A 21 8.938 24.656 -0.187 1.00 0.84 C ATOM 289 O CYS A 21 9.787 25.379 -0.710 1.00 1.04 O ATOM 290 CB CYS A 21 6.755 25.863 -0.201 1.00 0.91 C ATOM 291 SG CYS A 21 5.033 25.463 0.264 1.00 1.10 S ATOM 0 H CYS A 21 8.630 27.129 1.221 1.00 0.82 H new ATOM 0 HA CYS A 21 7.398 24.440 1.295 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.876 26.946 -0.188 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.923 25.536 -1.227 1.00 0.91 H new ATOM 296 N PHE A 22 8.908 23.327 -0.336 1.00 0.76 N ATOM 297 CA PHE A 22 9.898 22.609 -1.143 1.00 0.83 C ATOM 298 C PHE A 22 9.223 21.692 -2.160 1.00 0.94 C ATOM 299 O PHE A 22 9.872 20.828 -2.751 1.00 1.43 O ATOM 300 CB PHE A 22 10.808 21.776 -0.237 1.00 0.85 C ATOM 301 CG PHE A 22 11.808 22.600 0.512 1.00 0.84 C ATOM 302 CD1 PHE A 22 11.480 23.172 1.730 1.00 1.40 C ATOM 303 CD2 PHE A 22 13.072 22.819 -0.008 1.00 1.42 C ATOM 304 CE1 PHE A 22 12.398 23.946 2.416 1.00 1.51 C ATOM 305 CE2 PHE A 22 13.989 23.594 0.675 1.00 1.50 C ATOM 306 CZ PHE A 22 13.651 24.158 1.886 1.00 1.14 C ATOM 0 H PHE A 22 8.205 22.726 0.094 1.00 0.76 H new ATOM 0 HA PHE A 22 10.490 23.349 -1.682 1.00 0.83 H new ATOM 0 HB2 PHE A 22 10.194 21.225 0.476 1.00 0.85 H new ATOM 0 HB3 PHE A 22 11.335 21.038 -0.842 1.00 0.85 H new ATOM 0 HD1 PHE A 22 10.497 23.012 2.148 1.00 1.40 H new ATOM 0 HD2 PHE A 22 13.344 22.380 -0.957 1.00 1.42 H new ATOM 0 HE1 PHE A 22 12.132 24.384 3.367 1.00 1.51 H new ATOM 0 HE2 PHE A 22 14.972 23.758 0.259 1.00 1.50 H new ATOM 0 HZ PHE A 22 14.368 24.765 2.419 1.00 1.14 H new ATOM 316 N GLY A 23 7.922 21.878 -2.367 1.00 0.83 N ATOM 317 CA GLY A 23 7.204 21.049 -3.317 1.00 0.88 C ATOM 318 C GLY A 23 5.758 21.473 -3.481 1.00 0.88 C ATOM 319 O GLY A 23 5.375 22.554 -3.037 1.00 0.90 O ATOM 0 H GLY A 23 7.356 22.584 -1.896 1.00 0.83 H new ATOM 0 HA2 GLY A 23 7.704 21.094 -4.284 1.00 0.88 H new ATOM 0 HA3 GLY A 23 7.240 20.011 -2.988 1.00 0.88 H new ATOM 323 N PRO A 24 4.923 20.647 -4.133 1.00 1.01 N ATOM 324 CA PRO A 24 3.516 20.961 -4.358 1.00 1.07 C ATOM 325 C PRO A 24 2.636 20.645 -3.142 1.00 0.96 C ATOM 326 O PRO A 24 1.778 21.443 -2.764 1.00 1.03 O ATOM 327 CB PRO A 24 3.130 20.070 -5.552 1.00 1.32 C ATOM 328 CG PRO A 24 4.353 19.270 -5.900 1.00 1.50 C ATOM 329 CD PRO A 24 5.279 19.353 -4.721 1.00 1.24 C ATOM 0 HA PRO A 24 3.367 22.025 -4.540 1.00 1.07 H new ATOM 0 HB2 PRO A 24 2.298 19.415 -5.294 1.00 1.32 H new ATOM 0 HB3 PRO A 24 2.808 20.675 -6.400 1.00 1.32 H new ATOM 0 HG2 PRO A 24 4.089 18.234 -6.112 1.00 1.50 H new ATOM 0 HG3 PRO A 24 4.832 19.666 -6.796 1.00 1.50 H new ATOM 0 HD2 PRO A 24 5.121 18.532 -4.022 1.00 1.24 H new ATOM 0 HD3 PRO A 24 6.326 19.318 -5.023 1.00 1.24 H new ATOM 337 N SER A 25 2.859 19.480 -2.537 1.00 0.97 N ATOM 338 CA SER A 25 2.095 19.049 -1.360 1.00 0.92 C ATOM 339 C SER A 25 3.024 18.718 -0.206 1.00 0.78 C ATOM 340 O SER A 25 2.636 18.036 0.744 1.00 0.81 O ATOM 341 CB SER A 25 1.271 17.804 -1.683 1.00 1.12 C ATOM 342 OG SER A 25 -0.065 17.943 -1.239 1.00 1.26 O ATOM 0 H SER A 25 3.566 18.811 -2.842 1.00 0.97 H new ATOM 0 HA SER A 25 1.436 19.871 -1.079 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.283 17.626 -2.758 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.725 16.932 -1.211 1.00 1.12 H new ATOM 0 HG SER A 25 -0.569 17.132 -1.460 1.00 1.26 H new ATOM 348 N ILE A 26 4.260 19.163 -0.307 1.00 0.70 N ATOM 349 CA ILE A 26 5.239 18.875 0.705 1.00 0.61 C ATOM 350 C ILE A 26 5.895 20.144 1.225 1.00 0.58 C ATOM 351 O ILE A 26 6.502 20.913 0.470 1.00 0.73 O ATOM 352 CB ILE A 26 6.308 17.889 0.190 1.00 0.60 C ATOM 353 CG1 ILE A 26 5.761 17.014 -0.936 1.00 0.79 C ATOM 354 CG2 ILE A 26 6.803 17.036 1.323 1.00 0.74 C ATOM 355 CD1 ILE A 26 6.850 16.331 -1.735 1.00 0.83 C ATOM 0 H ILE A 26 4.605 19.726 -1.084 1.00 0.70 H new ATOM 0 HA ILE A 26 4.711 18.403 1.534 1.00 0.61 H new ATOM 0 HB ILE A 26 7.139 18.467 -0.214 1.00 0.60 H new ATOM 0 HG12 ILE A 26 5.100 16.258 -0.513 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.157 17.627 -1.605 1.00 0.79 H new ATOM 0 HG21 ILE A 26 7.558 16.342 0.953 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.241 17.672 2.093 1.00 0.74 H new ATOM 0 HG23 ILE A 26 5.970 16.475 1.747 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.399 15.724 -2.520 1.00 0.83 H new ATOM 0 HD12 ILE A 26 7.497 17.084 -2.185 1.00 0.83 H new ATOM 0 HD13 ILE A 26 7.439 15.693 -1.076 1.00 0.83 H new ATOM 367 N CYS A 27 5.779 20.357 2.527 1.00 0.56 N ATOM 368 CA CYS A 27 6.381 21.525 3.146 1.00 0.56 C ATOM 369 C CYS A 27 7.390 21.075 4.172 1.00 0.55 C ATOM 370 O CYS A 27 7.121 20.183 4.967 1.00 0.59 O ATOM 371 CB CYS A 27 5.346 22.436 3.798 1.00 0.60 C ATOM 372 SG CYS A 27 5.464 24.161 3.253 1.00 0.92 S ATOM 0 H CYS A 27 5.278 19.742 3.169 1.00 0.56 H new ATOM 0 HA CYS A 27 6.868 22.106 2.363 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.348 22.059 3.574 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.467 22.395 4.881 1.00 0.60 H new ATOM 377 N CYS A 28 8.564 21.669 4.137 1.00 0.56 N ATOM 378 CA CYS A 28 9.609 21.291 5.059 1.00 0.58 C ATOM 379 C CYS A 28 10.469 22.481 5.490 1.00 0.61 C ATOM 380 O CYS A 28 11.152 23.068 4.658 1.00 0.76 O ATOM 381 CB CYS A 28 10.539 20.231 4.439 1.00 0.65 C ATOM 382 SG CYS A 28 10.004 19.577 2.830 1.00 1.28 S ATOM 0 H CYS A 28 8.816 22.411 3.484 1.00 0.56 H new ATOM 0 HA CYS A 28 9.100 20.886 5.934 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.532 20.665 4.325 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.633 19.400 5.138 1.00 0.65 H new ATOM 387 N GLY A 29 10.451 22.828 6.780 1.00 0.62 N ATOM 388 CA GLY A 29 11.269 23.900 7.250 1.00 0.65 C ATOM 389 C GLY A 29 12.414 23.351 8.060 1.00 0.67 C ATOM 390 O GLY A 29 12.726 22.165 7.990 1.00 0.66 O ATOM 0 H GLY A 29 9.880 22.376 7.494 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.651 24.475 6.406 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.676 24.583 7.858 1.00 0.65 H new ATOM 394 N ASP A 30 13.034 24.212 8.814 1.00 0.72 N ATOM 395 CA ASP A 30 14.166 23.842 9.642 1.00 0.76 C ATOM 396 C ASP A 30 13.811 22.911 10.789 1.00 0.77 C ATOM 397 O ASP A 30 14.342 21.821 10.902 1.00 0.80 O ATOM 398 CB ASP A 30 14.798 25.097 10.237 1.00 0.84 C ATOM 399 CG ASP A 30 16.196 24.847 10.770 1.00 1.41 C ATOM 400 OD1 ASP A 30 17.129 24.735 9.950 1.00 1.92 O ATOM 401 OD2 ASP A 30 16.359 24.760 12.008 1.00 2.27 O ATOM 0 H ASP A 30 12.775 25.196 8.878 1.00 0.72 H new ATOM 0 HA ASP A 30 14.853 23.310 8.984 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.837 25.876 9.476 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.167 25.470 11.043 1.00 0.84 H new ATOM 406 N GLU A 31 12.945 23.378 11.650 1.00 0.78 N ATOM 407 CA GLU A 31 12.552 22.621 12.847 1.00 0.83 C ATOM 408 C GLU A 31 11.132 22.145 12.744 1.00 0.87 C ATOM 409 O GLU A 31 10.541 21.687 13.715 1.00 1.00 O ATOM 410 CB GLU A 31 12.731 23.429 14.139 1.00 0.90 C ATOM 411 CG GLU A 31 13.425 24.766 13.967 1.00 0.99 C ATOM 412 CD GLU A 31 14.188 25.185 15.212 1.00 1.14 C ATOM 413 OE1 GLU A 31 13.559 25.751 16.132 1.00 1.66 O ATOM 414 OE2 GLU A 31 15.414 24.951 15.267 1.00 1.64 O ATOM 0 H GLU A 31 12.486 24.284 11.558 1.00 0.78 H new ATOM 0 HA GLU A 31 13.219 21.760 12.896 1.00 0.83 H new ATOM 0 HB2 GLU A 31 11.750 23.600 14.582 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.301 22.829 14.849 1.00 0.90 H new ATOM 0 HG2 GLU A 31 14.113 24.709 13.124 1.00 0.99 H new ATOM 0 HG3 GLU A 31 12.685 25.528 13.724 1.00 0.99 H new ATOM 421 N LEU A 32 10.577 22.309 11.573 1.00 0.82 N ATOM 422 CA LEU A 32 9.260 21.936 11.255 1.00 0.88 C ATOM 423 C LEU A 32 9.356 20.742 10.311 1.00 0.82 C ATOM 424 O LEU A 32 8.441 19.924 10.222 1.00 0.90 O ATOM 425 CB LEU A 32 8.595 23.128 10.615 1.00 0.93 C ATOM 426 CG LEU A 32 7.483 23.757 11.448 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.158 25.150 10.937 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.252 22.865 11.461 1.00 1.37 C ATOM 0 H LEU A 32 11.073 22.730 10.787 1.00 0.82 H new ATOM 0 HA LEU A 32 8.667 21.646 12.122 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.353 23.885 10.413 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.183 22.825 9.653 1.00 0.93 H new ATOM 0 HG LEU A 32 7.830 23.854 12.477 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.363 25.583 11.543 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.047 25.778 11.002 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.831 25.090 9.899 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.471 23.332 12.061 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.893 22.726 10.441 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.509 21.897 11.890 1.00 1.37 H new ATOM 440 N GLY A 33 10.530 20.594 9.716 1.00 0.73 N ATOM 441 CA GLY A 33 10.806 19.448 8.907 1.00 0.71 C ATOM 442 C GLY A 33 10.033 19.374 7.605 1.00 0.67 C ATOM 443 O GLY A 33 9.909 20.366 6.919 1.00 0.65 O ATOM 0 H GLY A 33 11.298 21.261 9.787 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.872 19.432 8.679 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.591 18.552 9.490 1.00 0.71 H new ATOM 447 N CYS A 34 9.460 18.215 7.272 1.00 0.70 N ATOM 448 CA CYS A 34 8.706 18.107 6.016 1.00 0.69 C ATOM 449 C CYS A 34 7.401 17.368 6.167 1.00 0.65 C ATOM 450 O CYS A 34 7.416 16.171 6.448 1.00 0.62 O ATOM 451 CB CYS A 34 9.537 17.368 4.960 1.00 0.73 C ATOM 452 SG CYS A 34 9.136 17.784 3.230 1.00 1.08 S ATOM 0 H CYS A 34 9.499 17.363 7.831 1.00 0.70 H new ATOM 0 HA CYS A 34 8.490 19.131 5.712 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.591 17.583 5.134 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.403 16.295 5.100 1.00 0.73 H new ATOM 457 N PHE A 35 6.258 18.026 5.911 1.00 0.68 N ATOM 458 CA PHE A 35 4.987 17.330 5.982 1.00 0.67 C ATOM 459 C PHE A 35 4.597 16.991 4.567 1.00 0.64 C ATOM 460 O PHE A 35 4.247 17.877 3.781 1.00 0.63 O ATOM 461 CB PHE A 35 3.883 18.206 6.609 1.00 0.69 C ATOM 462 CG PHE A 35 4.381 19.482 7.215 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.888 19.489 8.497 1.00 0.98 C ATOM 464 CD2 PHE A 35 4.366 20.663 6.494 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.378 20.649 9.053 1.00 1.21 C ATOM 466 CE2 PHE A 35 4.848 21.829 7.049 1.00 1.38 C ATOM 467 CZ PHE A 35 5.356 21.822 8.326 1.00 1.26 C ATOM 0 H PHE A 35 6.199 19.013 5.660 1.00 0.68 H new ATOM 0 HA PHE A 35 5.093 16.444 6.608 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.145 18.445 5.843 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.369 17.628 7.377 1.00 0.69 H new ATOM 0 HD1 PHE A 35 4.901 18.574 9.071 1.00 0.98 H new ATOM 0 HD2 PHE A 35 3.973 20.671 5.488 1.00 1.16 H new ATOM 0 HE1 PHE A 35 5.779 20.641 10.056 1.00 1.21 H new ATOM 0 HE2 PHE A 35 4.826 22.747 6.481 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.738 22.734 8.760 1.00 1.26 H new ATOM 477 N VAL A 36 4.666 15.729 4.225 1.00 0.67 N ATOM 478 CA VAL A 36 4.329 15.339 2.888 1.00 0.68 C ATOM 479 C VAL A 36 2.867 14.996 2.798 1.00 0.71 C ATOM 480 O VAL A 36 2.447 13.851 2.952 1.00 0.74 O ATOM 481 CB VAL A 36 5.222 14.196 2.354 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.295 14.263 0.831 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.625 14.303 2.948 1.00 0.76 C ATOM 0 H VAL A 36 4.948 14.969 4.844 1.00 0.67 H new ATOM 0 HA VAL A 36 4.524 16.193 2.240 1.00 0.68 H new ATOM 0 HB VAL A 36 4.787 13.241 2.649 1.00 0.74 H new ATOM 0 HG11 VAL A 36 5.926 13.455 0.461 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.293 14.161 0.414 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.718 15.221 0.529 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.245 13.493 2.565 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.066 15.260 2.670 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.567 14.233 4.034 1.00 0.76 H new ATOM 493 N GLY A 37 2.103 16.049 2.554 1.00 0.71 N ATOM 494 CA GLY A 37 0.659 15.925 2.418 1.00 0.76 C ATOM 495 C GLY A 37 -0.116 16.374 3.643 1.00 0.72 C ATOM 496 O GLY A 37 -0.729 15.560 4.328 1.00 0.81 O ATOM 0 H GLY A 37 2.458 16.999 2.446 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.333 16.512 1.559 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.412 14.885 2.205 1.00 0.76 H new ATOM 500 N THR A 38 -0.105 17.676 3.901 1.00 0.68 N ATOM 501 CA THR A 38 -0.821 18.252 5.035 1.00 0.68 C ATOM 502 C THR A 38 -1.221 19.671 4.703 1.00 0.72 C ATOM 503 O THR A 38 -0.721 20.235 3.730 1.00 0.77 O ATOM 504 CB THR A 38 0.074 18.298 6.272 1.00 0.72 C ATOM 505 OG1 THR A 38 1.200 19.122 6.035 1.00 0.77 O ATOM 506 CG2 THR A 38 0.581 16.946 6.712 1.00 0.76 C ATOM 0 H THR A 38 0.397 18.360 3.334 1.00 0.68 H new ATOM 0 HA THR A 38 -1.695 17.633 5.236 1.00 0.68 H new ATOM 0 HB THR A 38 -0.558 18.696 7.066 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.355 19.195 5.070 1.00 0.77 H new ATOM 0 HG21 THR A 38 1.209 17.063 7.595 1.00 0.76 H new ATOM 0 HG22 THR A 38 -0.264 16.300 6.950 1.00 0.76 H new ATOM 0 HG23 THR A 38 1.165 16.497 5.909 1.00 0.76 H new ATOM 514 N ALA A 39 -2.138 20.261 5.459 1.00 0.77 N ATOM 515 CA ALA A 39 -2.543 21.613 5.175 1.00 0.86 C ATOM 516 C ALA A 39 -1.422 22.584 5.520 1.00 0.82 C ATOM 517 O ALA A 39 -1.396 23.704 5.012 1.00 0.86 O ATOM 518 CB ALA A 39 -3.819 21.953 5.936 1.00 1.02 C ATOM 0 H ALA A 39 -2.602 19.827 6.257 1.00 0.77 H new ATOM 0 HA ALA A 39 -2.751 21.703 4.109 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.114 22.978 5.712 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.615 21.272 5.634 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.642 21.852 7.007 1.00 1.02 H new ATOM 524 N GLU A 40 -0.429 22.147 6.303 1.00 0.78 N ATOM 525 CA GLU A 40 0.704 23.001 6.597 1.00 0.79 C ATOM 526 C GLU A 40 1.493 23.208 5.318 1.00 0.74 C ATOM 527 O GLU A 40 2.354 24.081 5.242 1.00 0.79 O ATOM 528 CB GLU A 40 1.598 22.373 7.673 1.00 0.82 C ATOM 529 CG GLU A 40 1.102 22.616 9.086 1.00 1.25 C ATOM 530 CD GLU A 40 -0.109 21.771 9.413 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.028 20.531 9.458 1.00 2.32 O ATOM 532 OE2 GLU A 40 -1.198 22.349 9.616 1.00 1.91 O ATOM 0 H GLU A 40 -0.395 21.223 6.733 1.00 0.78 H new ATOM 0 HA GLU A 40 0.348 23.958 6.979 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.664 21.299 7.499 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.607 22.774 7.576 1.00 0.82 H new ATOM 0 HG2 GLU A 40 1.901 22.395 9.794 1.00 1.25 H new ATOM 0 HG3 GLU A 40 0.852 23.670 9.207 1.00 1.25 H new ATOM 539 N ALA A 41 1.232 22.361 4.315 1.00 0.70 N ATOM 540 CA ALA A 41 1.930 22.428 3.061 1.00 0.71 C ATOM 541 C ALA A 41 0.964 22.656 1.903 1.00 0.78 C ATOM 542 O ALA A 41 1.403 22.904 0.794 1.00 0.87 O ATOM 543 CB ALA A 41 2.693 21.122 2.834 1.00 0.77 C ATOM 0 H ALA A 41 0.532 21.620 4.366 1.00 0.70 H new ATOM 0 HA ALA A 41 2.624 23.268 3.100 1.00 0.71 H new ATOM 0 HB1 ALA A 41 3.223 21.171 1.883 1.00 0.77 H new ATOM 0 HB2 ALA A 41 3.410 20.974 3.642 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.991 20.289 2.815 1.00 0.77 H new ATOM 549 N LEU A 42 -0.351 22.551 2.120 1.00 0.81 N ATOM 550 CA LEU A 42 -1.281 22.719 1.020 1.00 0.94 C ATOM 551 C LEU A 42 -1.216 24.107 0.382 1.00 1.05 C ATOM 552 O LEU A 42 -1.554 24.264 -0.791 1.00 1.23 O ATOM 553 CB LEU A 42 -2.679 22.250 1.442 1.00 0.98 C ATOM 554 CG LEU A 42 -3.648 23.198 2.187 1.00 1.02 C ATOM 555 CD1 LEU A 42 -2.981 24.436 2.752 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.825 23.569 1.293 1.00 1.16 C ATOM 0 H LEU A 42 -0.779 22.356 3.025 1.00 0.81 H new ATOM 0 HA LEU A 42 -0.977 22.071 0.198 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.190 21.917 0.538 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -2.544 21.372 2.073 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.013 22.642 3.051 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -3.725 25.051 3.259 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -2.208 24.141 3.462 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -2.529 25.008 1.941 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.496 24.236 1.834 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -4.458 24.071 0.398 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -5.364 22.666 1.007 1.00 1.16 H new ATOM 568 N ARG A 43 -0.684 25.093 1.103 1.00 1.04 N ATOM 569 CA ARG A 43 -0.488 26.421 0.519 1.00 1.23 C ATOM 570 C ARG A 43 0.673 26.317 -0.497 1.00 1.24 C ATOM 571 O ARG A 43 0.917 27.204 -1.309 1.00 1.46 O ATOM 572 CB ARG A 43 -0.181 27.437 1.633 1.00 1.32 C ATOM 573 CG ARG A 43 1.294 27.564 2.009 1.00 1.34 C ATOM 574 CD ARG A 43 1.883 28.855 1.470 1.00 1.50 C ATOM 575 NE ARG A 43 1.078 30.013 1.856 1.00 1.88 N ATOM 576 CZ ARG A 43 0.123 30.547 1.093 1.00 2.20 C ATOM 577 NH1 ARG A 43 -0.196 29.999 -0.076 1.00 2.39 N ATOM 578 NH2 ARG A 43 -0.542 31.612 1.517 1.00 2.92 N ATOM 0 H ARG A 43 -0.386 25.002 2.074 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.386 26.766 0.007 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.545 28.416 1.321 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -0.744 27.157 2.524 1.00 1.32 H new ATOM 0 HG2 ARG A 43 1.400 27.536 3.093 1.00 1.34 H new ATOM 0 HG3 ARG A 43 1.849 26.714 1.613 1.00 1.34 H new ATOM 0 HD2 ARG A 43 2.900 28.976 1.844 1.00 1.50 H new ATOM 0 HD3 ARG A 43 1.947 28.801 0.383 1.00 1.50 H new ATOM 0 HE ARG A 43 1.258 30.439 2.765 1.00 1.88 H new ATOM 0 HH11 ARG A 43 0.291 29.162 -0.397 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -0.928 30.415 -0.652 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -0.323 32.022 2.425 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -1.273 32.022 0.935 1.00 2.92 H new ATOM 592 N CYS A 44 1.269 25.122 -0.467 1.00 1.08 N ATOM 593 CA CYS A 44 2.356 24.768 -1.406 1.00 1.15 C ATOM 594 C CYS A 44 1.808 24.695 -2.843 1.00 1.41 C ATOM 595 O CYS A 44 2.550 24.458 -3.800 1.00 1.57 O ATOM 596 CB CYS A 44 3.050 23.452 -1.044 1.00 1.04 C ATOM 597 SG CYS A 44 4.782 23.579 -0.453 1.00 1.28 S ATOM 0 H CYS A 44 1.024 24.382 0.191 1.00 1.08 H new ATOM 0 HA CYS A 44 3.107 25.555 -1.333 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.461 22.956 -0.272 1.00 1.04 H new ATOM 0 HB3 CYS A 44 3.035 22.805 -1.921 1.00 1.04 H new ATOM 602 N GLN A 45 0.503 24.919 -2.991 1.00 1.55 N ATOM 603 CA GLN A 45 -0.141 24.884 -4.296 1.00 1.86 C ATOM 604 C GLN A 45 0.022 26.208 -5.034 1.00 2.09 C ATOM 605 O GLN A 45 -0.147 26.281 -6.257 1.00 2.35 O ATOM 606 CB GLN A 45 -1.627 24.573 -4.142 1.00 1.97 C ATOM 607 CG GLN A 45 -1.929 23.107 -3.880 1.00 2.40 C ATOM 608 CD GLN A 45 -1.793 22.248 -5.123 1.00 2.73 C ATOM 609 OE1 GLN A 45 -0.834 21.491 -5.267 1.00 3.31 O ATOM 610 NE2 GLN A 45 -2.758 22.362 -6.029 1.00 3.02 N ATOM 0 H GLN A 45 -0.128 25.127 -2.217 1.00 1.55 H new ATOM 0 HA GLN A 45 0.342 24.100 -4.880 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.029 25.168 -3.322 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.148 24.884 -5.047 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -1.254 22.734 -3.110 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.942 23.014 -3.488 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -3.535 23.003 -5.868 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -2.722 21.809 -6.885 1.00 3.02 H new ATOM 619 N GLU A 46 0.371 27.260 -4.305 1.00 2.07 N ATOM 620 CA GLU A 46 0.543 28.555 -4.933 1.00 2.35 C ATOM 621 C GLU A 46 1.949 28.677 -5.487 1.00 2.34 C ATOM 622 O GLU A 46 2.330 29.725 -6.013 1.00 2.50 O ATOM 623 CB GLU A 46 0.273 29.695 -3.941 1.00 2.41 C ATOM 624 CG GLU A 46 -0.088 31.016 -4.612 1.00 2.80 C ATOM 625 CD GLU A 46 0.426 32.229 -3.855 1.00 3.19 C ATOM 626 OE1 GLU A 46 -0.223 32.634 -2.868 1.00 3.69 O ATOM 627 OE2 GLU A 46 1.475 32.778 -4.255 1.00 3.53 O ATOM 0 H GLU A 46 0.537 27.241 -3.299 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.178 28.635 -5.747 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -0.539 29.402 -3.275 1.00 2.41 H new ATOM 0 HB3 GLU A 46 1.157 29.842 -3.320 1.00 2.41 H new ATOM 0 HG2 GLU A 46 0.320 31.026 -5.623 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.172 31.085 -4.705 1.00 2.80 H new ATOM 634 N GLU A 47 2.707 27.576 -5.429 1.00 2.22 N ATOM 635 CA GLU A 47 4.043 27.579 -5.983 1.00 2.31 C ATOM 636 C GLU A 47 3.968 27.347 -7.490 1.00 2.34 C ATOM 637 O GLU A 47 4.995 27.269 -8.166 1.00 2.42 O ATOM 638 CB GLU A 47 4.902 26.499 -5.325 1.00 2.37 C ATOM 639 CG GLU A 47 6.269 26.990 -4.881 1.00 2.96 C ATOM 640 CD GLU A 47 7.339 25.926 -5.021 1.00 3.45 C ATOM 641 OE1 GLU A 47 7.410 25.037 -4.146 1.00 3.99 O ATOM 642 OE2 GLU A 47 8.105 25.979 -6.007 1.00 3.68 O ATOM 0 H GLU A 47 2.415 26.693 -5.010 1.00 2.22 H new ATOM 0 HA GLU A 47 4.505 28.547 -5.788 1.00 2.31 H new ATOM 0 HB2 GLU A 47 4.370 26.102 -4.460 1.00 2.37 H new ATOM 0 HB3 GLU A 47 5.032 25.674 -6.026 1.00 2.37 H new ATOM 0 HG2 GLU A 47 6.548 27.862 -5.472 1.00 2.96 H new ATOM 0 HG3 GLU A 47 6.216 27.313 -3.841 1.00 2.96 H new ATOM 769 N SER A 56 17.578 25.332 -1.052 1.00 2.28 N ATOM 770 CA SER A 56 17.188 23.930 -1.037 1.00 2.07 C ATOM 771 C SER A 56 17.799 23.194 0.151 1.00 1.82 C ATOM 772 O SER A 56 17.189 23.142 1.223 1.00 2.22 O ATOM 773 CB SER A 56 17.568 23.236 -2.345 1.00 2.60 C ATOM 774 OG SER A 56 16.414 22.751 -3.014 1.00 3.12 O ATOM 0 HA SER A 56 16.103 23.898 -0.934 1.00 2.07 H new ATOM 0 HB2 SER A 56 18.101 23.934 -2.990 1.00 2.60 H new ATOM 0 HB3 SER A 56 18.248 22.410 -2.139 1.00 2.60 H new ATOM 0 HG SER A 56 16.680 22.312 -3.849 1.00 3.12 H new ATOM 780 N GLY A 57 19.000 22.628 0.002 1.00 1.58 N ATOM 781 CA GLY A 57 19.646 21.901 1.069 1.00 1.86 C ATOM 782 C GLY A 57 20.699 21.018 0.415 1.00 1.68 C ATOM 783 O GLY A 57 20.411 20.395 -0.606 1.00 2.10 O ATOM 0 H GLY A 57 19.540 22.667 -0.862 1.00 1.58 H new ATOM 0 HA2 GLY A 57 20.103 22.586 1.783 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.924 21.299 1.621 1.00 1.86 H new ATOM 787 N GLN A 58 21.916 20.977 0.936 1.00 1.37 N ATOM 788 CA GLN A 58 22.949 20.175 0.290 1.00 1.46 C ATOM 789 C GLN A 58 23.292 18.946 1.105 1.00 1.08 C ATOM 790 O GLN A 58 24.366 18.828 1.685 1.00 1.00 O ATOM 791 CB GLN A 58 24.198 21.024 0.051 1.00 1.97 C ATOM 792 CG GLN A 58 25.161 20.433 -0.963 1.00 2.80 C ATOM 793 CD GLN A 58 26.488 21.169 -0.995 1.00 3.61 C ATOM 794 OE1 GLN A 58 27.501 20.669 -0.509 1.00 3.96 O ATOM 795 NE2 GLN A 58 26.486 22.370 -1.566 1.00 4.36 N ATOM 0 H GLN A 58 22.209 21.472 1.778 1.00 1.37 H new ATOM 0 HA GLN A 58 22.559 19.834 -0.669 1.00 1.46 H new ATOM 0 HB2 GLN A 58 23.893 22.014 -0.287 1.00 1.97 H new ATOM 0 HB3 GLN A 58 24.721 21.158 0.998 1.00 1.97 H new ATOM 0 HG2 GLN A 58 25.336 19.384 -0.726 1.00 2.80 H new ATOM 0 HG3 GLN A 58 24.707 20.465 -1.953 1.00 2.80 H new ATOM 0 HE21 GLN A 58 25.623 22.747 -1.957 1.00 4.36 H new ATOM 0 HE22 GLN A 58 27.348 22.914 -1.613 1.00 4.36 H new ATOM 804 N LYS A 59 22.408 17.985 1.013 1.00 1.17 N ATOM 805 CA LYS A 59 22.574 16.694 1.659 1.00 1.13 C ATOM 806 C LYS A 59 21.950 15.680 0.743 1.00 0.95 C ATOM 807 O LYS A 59 21.012 14.978 1.106 1.00 0.88 O ATOM 808 CB LYS A 59 21.876 16.642 3.032 1.00 1.54 C ATOM 809 CG LYS A 59 22.527 15.669 4.006 1.00 1.90 C ATOM 810 CD LYS A 59 23.908 16.145 4.423 1.00 2.17 C ATOM 811 CE LYS A 59 23.832 17.160 5.551 1.00 2.82 C ATOM 812 NZ LYS A 59 24.225 18.521 5.099 1.00 3.55 N ATOM 0 H LYS A 59 21.541 18.071 0.483 1.00 1.17 H new ATOM 0 HA LYS A 59 23.632 16.500 1.835 1.00 1.13 H new ATOM 0 HB2 LYS A 59 21.879 17.640 3.471 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.833 16.359 2.890 1.00 1.54 H new ATOM 0 HG2 LYS A 59 21.897 15.558 4.888 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.604 14.685 3.543 1.00 1.90 H new ATOM 0 HD2 LYS A 59 24.507 15.292 4.740 1.00 2.17 H new ATOM 0 HD3 LYS A 59 24.415 16.589 3.566 1.00 2.17 H new ATOM 0 HE2 LYS A 59 22.817 17.188 5.947 1.00 2.82 H new ATOM 0 HE3 LYS A 59 24.483 16.846 6.367 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 24.160 19.184 5.897 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 25.203 18.500 4.745 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 23.588 18.832 4.338 1.00 3.55 H new ATOM 826 N PRO A 60 22.446 15.643 -0.513 1.00 1.06 N ATOM 827 CA PRO A 60 21.920 14.747 -1.522 1.00 1.15 C ATOM 828 C PRO A 60 22.248 13.280 -1.272 1.00 1.10 C ATOM 829 O PRO A 60 23.167 12.707 -1.859 1.00 1.23 O ATOM 830 CB PRO A 60 22.558 15.226 -2.825 1.00 1.48 C ATOM 831 CG PRO A 60 23.803 15.931 -2.408 1.00 1.54 C ATOM 832 CD PRO A 60 23.517 16.514 -1.049 1.00 1.30 C ATOM 0 HA PRO A 60 20.831 14.780 -1.531 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.781 14.389 -3.486 1.00 1.48 H new ATOM 0 HB3 PRO A 60 21.890 15.893 -3.370 1.00 1.48 H new ATOM 0 HG2 PRO A 60 24.646 15.242 -2.367 1.00 1.54 H new ATOM 0 HG3 PRO A 60 24.065 16.713 -3.120 1.00 1.54 H new ATOM 0 HD2 PRO A 60 24.402 16.499 -0.412 1.00 1.30 H new ATOM 0 HD3 PRO A 60 23.192 17.552 -1.119 1.00 1.30 H new ATOM 840 N CYS A 61 21.446 12.689 -0.414 1.00 1.08 N ATOM 841 CA CYS A 61 21.542 11.278 -0.077 1.00 1.13 C ATOM 842 C CYS A 61 20.427 10.570 -0.816 1.00 1.36 C ATOM 843 O CYS A 61 19.675 11.217 -1.543 1.00 1.54 O ATOM 844 CB CYS A 61 21.373 11.072 1.441 1.00 1.30 C ATOM 845 SG CYS A 61 20.249 12.264 2.249 1.00 1.59 S ATOM 0 H CYS A 61 20.698 13.178 0.078 1.00 1.08 H new ATOM 0 HA CYS A 61 22.518 10.883 -0.360 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.000 10.063 1.618 1.00 1.30 H new ATOM 0 HB3 CYS A 61 22.353 11.138 1.915 1.00 1.30 H new ATOM 850 N GLY A 62 20.301 9.260 -0.689 1.00 1.60 N ATOM 851 CA GLY A 62 19.221 8.602 -1.372 1.00 1.92 C ATOM 852 C GLY A 62 19.365 8.551 -2.870 1.00 2.10 C ATOM 853 O GLY A 62 20.418 8.866 -3.433 1.00 2.43 O ATOM 0 H GLY A 62 20.912 8.657 -0.139 1.00 1.60 H new ATOM 0 HA2 GLY A 62 19.136 7.583 -0.993 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.289 9.112 -1.127 1.00 1.92 H new ATOM 857 N SER A 63 18.264 8.145 -3.495 1.00 2.43 N ATOM 858 CA SER A 63 18.159 8.010 -4.934 1.00 2.98 C ATOM 859 C SER A 63 17.783 9.336 -5.592 1.00 2.74 C ATOM 860 O SER A 63 16.932 9.386 -6.484 1.00 3.32 O ATOM 861 CB SER A 63 17.115 6.949 -5.278 1.00 3.86 C ATOM 862 OG SER A 63 15.877 7.246 -4.655 1.00 4.11 O ATOM 0 H SER A 63 17.407 7.897 -3.001 1.00 2.43 H new ATOM 0 HA SER A 63 19.133 7.707 -5.317 1.00 2.98 H new ATOM 0 HB2 SER A 63 16.982 6.899 -6.359 1.00 3.86 H new ATOM 0 HB3 SER A 63 17.465 5.969 -4.955 1.00 3.86 H new ATOM 0 HG SER A 63 15.220 6.557 -4.888 1.00 4.11 H new ATOM 868 N GLY A 64 18.490 10.392 -5.180 1.00 2.15 N ATOM 869 CA GLY A 64 18.322 11.717 -5.771 1.00 2.11 C ATOM 870 C GLY A 64 17.840 12.806 -4.828 1.00 1.92 C ATOM 871 O GLY A 64 17.514 13.904 -5.281 1.00 2.21 O ATOM 0 H GLY A 64 19.187 10.352 -4.436 1.00 2.15 H new ATOM 0 HA2 GLY A 64 19.276 12.028 -6.197 1.00 2.11 H new ATOM 0 HA3 GLY A 64 17.615 11.639 -6.597 1.00 2.11 H new ATOM 875 N GLY A 65 17.725 12.512 -3.536 1.00 1.62 N ATOM 876 CA GLY A 65 17.206 13.513 -2.617 1.00 1.62 C ATOM 877 C GLY A 65 18.207 14.189 -1.694 1.00 1.43 C ATOM 878 O GLY A 65 19.078 13.549 -1.099 1.00 1.62 O ATOM 0 H GLY A 65 17.976 11.618 -3.114 1.00 1.62 H new ATOM 0 HA2 GLY A 65 16.710 14.287 -3.204 1.00 1.62 H new ATOM 0 HA3 GLY A 65 16.441 13.042 -2.000 1.00 1.62 H new ATOM 882 N ARG A 66 18.033 15.507 -1.570 1.00 1.17 N ATOM 883 CA ARG A 66 18.845 16.346 -0.700 1.00 1.03 C ATOM 884 C ARG A 66 18.009 16.768 0.513 1.00 0.94 C ATOM 885 O ARG A 66 16.780 16.782 0.435 1.00 1.04 O ATOM 886 CB ARG A 66 19.412 17.569 -1.431 1.00 1.10 C ATOM 887 CG ARG A 66 18.546 18.069 -2.579 1.00 1.26 C ATOM 888 CD ARG A 66 18.824 17.309 -3.869 1.00 1.41 C ATOM 889 NE ARG A 66 20.151 17.602 -4.410 1.00 1.78 N ATOM 890 CZ ARG A 66 20.733 16.902 -5.386 1.00 2.30 C ATOM 891 NH1 ARG A 66 20.115 15.861 -5.932 1.00 2.55 N ATOM 892 NH2 ARG A 66 21.939 17.247 -5.819 1.00 3.02 N ATOM 0 H ARG A 66 17.315 16.023 -2.079 1.00 1.17 H new ATOM 0 HA ARG A 66 19.705 15.764 -0.369 1.00 1.03 H new ATOM 0 HB2 ARG A 66 19.545 18.378 -0.713 1.00 1.10 H new ATOM 0 HB3 ARG A 66 20.400 17.321 -1.818 1.00 1.10 H new ATOM 0 HG2 ARG A 66 17.494 17.963 -2.314 1.00 1.26 H new ATOM 0 HG3 ARG A 66 18.729 19.132 -2.736 1.00 1.26 H new ATOM 0 HD2 ARG A 66 18.738 16.238 -3.683 1.00 1.41 H new ATOM 0 HD3 ARG A 66 18.067 17.566 -4.610 1.00 1.41 H new ATOM 0 HE ARG A 66 20.664 18.391 -4.017 1.00 1.78 H new ATOM 0 HH11 ARG A 66 19.187 15.590 -5.606 1.00 2.55 H new ATOM 0 HH12 ARG A 66 20.568 15.332 -6.677 1.00 2.55 H new ATOM 0 HH21 ARG A 66 22.420 18.046 -5.406 1.00 3.02 H new ATOM 0 HH22 ARG A 66 22.385 16.713 -6.565 1.00 3.02 H new ATOM 906 N CYS A 67 18.649 17.062 1.648 1.00 0.87 N ATOM 907 CA CYS A 67 17.917 17.419 2.837 1.00 0.87 C ATOM 908 C CYS A 67 17.054 18.654 2.610 1.00 0.88 C ATOM 909 O CYS A 67 17.560 19.775 2.564 1.00 0.93 O ATOM 910 CB CYS A 67 18.892 17.680 3.996 1.00 0.93 C ATOM 911 SG CYS A 67 19.323 16.203 4.977 1.00 1.52 S ATOM 0 H CYS A 67 19.663 17.056 1.755 1.00 0.87 H new ATOM 0 HA CYS A 67 17.261 16.585 3.087 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.808 18.111 3.592 1.00 0.93 H new ATOM 0 HB3 CYS A 67 18.455 18.426 4.660 1.00 0.93 H new ATOM 916 N ALA A 68 15.745 18.454 2.532 1.00 0.91 N ATOM 917 CA ALA A 68 14.823 19.567 2.371 1.00 0.98 C ATOM 918 C ALA A 68 14.513 20.164 3.734 1.00 0.98 C ATOM 919 O ALA A 68 14.093 21.319 3.838 1.00 1.07 O ATOM 920 CB ALA A 68 13.528 19.131 1.689 1.00 0.98 C ATOM 0 H ALA A 68 15.301 17.537 2.577 1.00 0.91 H new ATOM 0 HA ALA A 68 15.297 20.314 1.734 1.00 0.98 H new ATOM 0 HB1 ALA A 68 12.864 19.989 1.586 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.755 18.727 0.702 1.00 0.98 H new ATOM 0 HB3 ALA A 68 13.040 18.365 2.291 1.00 0.98 H new ATOM 926 N ALA A 69 14.751 19.370 4.785 1.00 0.92 N ATOM 927 CA ALA A 69 14.510 19.839 6.153 1.00 0.96 C ATOM 928 C ALA A 69 15.148 18.919 7.181 1.00 0.92 C ATOM 929 O ALA A 69 15.524 17.791 6.878 1.00 0.87 O ATOM 930 CB ALA A 69 13.027 20.012 6.433 1.00 1.00 C ATOM 0 H ALA A 69 15.104 18.416 4.717 1.00 0.92 H new ATOM 0 HA ALA A 69 14.983 20.817 6.240 1.00 0.96 H new ATOM 0 HB1 ALA A 69 12.888 20.361 7.456 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.609 20.743 5.741 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.518 19.057 6.303 1.00 1.00 H new ATOM 936 N ALA A 70 15.271 19.416 8.399 1.00 0.98 N ATOM 937 CA ALA A 70 15.855 18.653 9.491 1.00 1.00 C ATOM 938 C ALA A 70 15.393 17.195 9.423 1.00 1.04 C ATOM 939 O ALA A 70 14.305 16.850 9.888 1.00 1.24 O ATOM 940 CB ALA A 70 15.491 19.265 10.835 1.00 1.15 C ATOM 0 H ALA A 70 14.971 20.355 8.660 1.00 0.98 H new ATOM 0 HA ALA A 70 16.940 18.682 9.389 1.00 1.00 H new ATOM 0 HB1 ALA A 70 15.939 18.677 11.636 1.00 1.15 H new ATOM 0 HB2 ALA A 70 15.865 20.288 10.882 1.00 1.15 H new ATOM 0 HB3 ALA A 70 14.407 19.270 10.951 1.00 1.15 H new ATOM 946 N GLY A 71 16.245 16.365 8.826 1.00 1.15 N ATOM 947 CA GLY A 71 15.975 14.952 8.650 1.00 1.27 C ATOM 948 C GLY A 71 14.945 14.718 7.580 1.00 1.21 C ATOM 949 O GLY A 71 14.120 13.806 7.697 1.00 1.28 O ATOM 0 H GLY A 71 17.146 16.662 8.451 1.00 1.15 H new ATOM 0 HA2 GLY A 71 16.898 14.434 8.388 1.00 1.27 H new ATOM 0 HA3 GLY A 71 15.627 14.527 9.591 1.00 1.27 H new ATOM 953 N ILE A 72 15.161 15.337 6.413 1.00 1.12 N ATOM 954 CA ILE A 72 14.345 15.042 5.226 1.00 1.08 C ATOM 955 C ILE A 72 15.264 14.954 4.039 1.00 1.03 C ATOM 956 O ILE A 72 15.648 15.967 3.459 1.00 1.36 O ATOM 957 CB ILE A 72 13.246 16.082 4.842 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.812 16.932 6.011 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.045 15.340 4.286 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.564 16.102 7.209 1.00 0.92 C ATOM 0 H ILE A 72 15.886 16.039 6.264 1.00 1.12 H new ATOM 0 HA ILE A 72 13.820 14.123 5.485 1.00 1.08 H new ATOM 0 HB ILE A 72 13.672 16.755 4.098 1.00 1.52 H new ATOM 0 HG12 ILE A 72 13.580 17.673 6.231 1.00 1.09 H new ATOM 0 HG13 ILE A 72 11.906 17.480 5.750 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.269 16.056 4.014 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.343 14.775 3.403 1.00 2.27 H new ATOM 0 HG23 ILE A 72 11.658 14.656 5.041 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.253 16.740 8.036 1.00 0.92 H new ATOM 0 HD12 ILE A 72 11.778 15.378 6.994 1.00 0.92 H new ATOM 0 HD13 ILE A 72 13.478 15.575 7.482 1.00 0.92 H new ATOM 972 N CYS A 73 15.601 13.743 3.678 1.00 0.82 N ATOM 973 CA CYS A 73 16.465 13.507 2.550 1.00 1.07 C ATOM 974 C CYS A 73 15.609 13.320 1.317 1.00 1.08 C ATOM 975 O CYS A 73 15.084 12.229 1.094 1.00 1.21 O ATOM 976 CB CYS A 73 17.290 12.258 2.815 1.00 1.19 C ATOM 977 SG CYS A 73 18.432 11.820 1.471 1.00 1.98 S ATOM 0 H CYS A 73 15.287 12.897 4.154 1.00 0.82 H new ATOM 0 HA CYS A 73 17.138 14.351 2.396 1.00 1.07 H new ATOM 0 HB2 CYS A 73 17.863 12.402 3.731 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.615 11.421 2.990 1.00 1.19 H new ATOM 982 N CYS A 74 15.410 14.383 0.533 1.00 0.98 N ATOM 983 CA CYS A 74 14.533 14.236 -0.614 1.00 0.99 C ATOM 984 C CYS A 74 14.562 15.361 -1.644 1.00 1.15 C ATOM 985 O CYS A 74 15.382 16.278 -1.599 1.00 1.33 O ATOM 986 CB CYS A 74 13.123 14.086 -0.090 1.00 1.13 C ATOM 987 SG CYS A 74 12.546 15.447 0.977 1.00 1.32 S ATOM 0 H CYS A 74 15.823 15.306 0.665 1.00 0.98 H new ATOM 0 HA CYS A 74 14.898 13.365 -1.158 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.444 13.997 -0.938 1.00 1.13 H new ATOM 0 HB3 CYS A 74 13.057 13.153 0.470 1.00 1.13 H new ATOM 992 N SER A 75 13.605 15.243 -2.572 1.00 1.14 N ATOM 993 CA SER A 75 13.395 16.176 -3.672 1.00 1.36 C ATOM 994 C SER A 75 11.948 16.673 -3.620 1.00 1.28 C ATOM 995 O SER A 75 11.206 16.293 -2.715 1.00 1.10 O ATOM 996 CB SER A 75 13.682 15.465 -5.002 1.00 1.46 C ATOM 997 OG SER A 75 15.054 15.120 -5.118 1.00 1.99 O ATOM 0 H SER A 75 12.939 14.471 -2.573 1.00 1.14 H new ATOM 0 HA SER A 75 14.068 17.029 -3.587 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.071 14.565 -5.075 1.00 1.46 H new ATOM 0 HB3 SER A 75 13.396 16.112 -5.831 1.00 1.46 H new ATOM 0 HG SER A 75 15.206 14.667 -5.974 1.00 1.99 H new ATOM 1003 N PRO A 76 11.508 17.535 -4.557 1.00 1.46 N ATOM 1004 CA PRO A 76 10.136 18.054 -4.544 1.00 1.42 C ATOM 1005 C PRO A 76 9.094 17.014 -4.968 1.00 1.18 C ATOM 1006 O PRO A 76 8.058 17.361 -5.536 1.00 1.22 O ATOM 1007 CB PRO A 76 10.181 19.199 -5.556 1.00 1.74 C ATOM 1008 CG PRO A 76 11.280 18.838 -6.491 1.00 1.86 C ATOM 1009 CD PRO A 76 12.297 18.088 -5.676 1.00 1.77 C ATOM 0 HA PRO A 76 9.835 18.354 -3.540 1.00 1.42 H new ATOM 0 HB2 PRO A 76 9.232 19.299 -6.082 1.00 1.74 H new ATOM 0 HB3 PRO A 76 10.376 20.153 -5.066 1.00 1.74 H new ATOM 0 HG2 PRO A 76 10.908 18.223 -7.310 1.00 1.86 H new ATOM 0 HG3 PRO A 76 11.720 19.730 -6.937 1.00 1.86 H new ATOM 0 HD2 PRO A 76 12.774 17.299 -6.258 1.00 1.77 H new ATOM 0 HD3 PRO A 76 13.090 18.746 -5.320 1.00 1.77 H new ATOM 1017 N ASP A 77 9.367 15.740 -4.676 1.00 0.99 N ATOM 1018 CA ASP A 77 8.445 14.652 -5.006 1.00 0.91 C ATOM 1019 C ASP A 77 8.293 13.708 -3.813 1.00 0.82 C ATOM 1020 O ASP A 77 7.197 13.545 -3.271 1.00 0.90 O ATOM 1021 CB ASP A 77 8.952 13.878 -6.224 1.00 1.16 C ATOM 1022 CG ASP A 77 7.832 13.165 -6.952 1.00 1.92 C ATOM 1023 OD1 ASP A 77 6.868 13.844 -7.362 1.00 2.65 O ATOM 1024 OD2 ASP A 77 7.915 11.929 -7.107 1.00 2.50 O ATOM 0 H ASP A 77 10.222 15.437 -4.210 1.00 0.99 H new ATOM 0 HA ASP A 77 7.471 15.081 -5.243 1.00 0.91 H new ATOM 0 HB2 ASP A 77 9.449 14.565 -6.909 1.00 1.16 H new ATOM 0 HB3 ASP A 77 9.698 13.150 -5.906 1.00 1.16 H new ATOM 1029 N GLY A 78 9.405 13.104 -3.403 1.00 0.88 N ATOM 1030 CA GLY A 78 9.390 12.211 -2.268 1.00 0.87 C ATOM 1031 C GLY A 78 10.275 12.713 -1.152 1.00 0.86 C ATOM 1032 O GLY A 78 10.876 13.772 -1.288 1.00 0.99 O ATOM 0 H GLY A 78 10.318 13.221 -3.842 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.369 12.104 -1.903 1.00 0.87 H new ATOM 0 HA3 GLY A 78 9.723 11.221 -2.579 1.00 0.87 H new ATOM 1036 N CYS A 79 10.366 11.951 -0.056 1.00 0.79 N ATOM 1037 CA CYS A 79 11.206 12.344 1.074 1.00 0.80 C ATOM 1038 C CYS A 79 11.712 11.142 1.870 1.00 0.78 C ATOM 1039 O CYS A 79 11.175 10.046 1.756 1.00 0.89 O ATOM 1040 CB CYS A 79 10.500 13.357 1.966 1.00 0.94 C ATOM 1041 SG CYS A 79 10.565 15.064 1.309 1.00 1.34 S ATOM 0 H CYS A 79 9.872 11.067 0.069 1.00 0.79 H new ATOM 0 HA CYS A 79 12.088 12.831 0.658 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.458 13.061 2.087 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.954 13.338 2.957 1.00 0.94 H new ATOM 1046 N HIS A 80 12.773 11.333 2.671 1.00 0.71 N ATOM 1047 CA HIS A 80 13.332 10.220 3.438 1.00 0.76 C ATOM 1048 C HIS A 80 13.810 10.663 4.808 1.00 0.70 C ATOM 1049 O HIS A 80 14.427 11.716 4.957 1.00 0.67 O ATOM 1050 CB HIS A 80 14.516 9.602 2.684 1.00 0.87 C ATOM 1051 CG HIS A 80 14.155 8.446 1.807 1.00 0.99 C ATOM 1052 ND1 HIS A 80 13.534 8.591 0.588 1.00 1.64 N ATOM 1053 CD2 HIS A 80 14.350 7.118 1.970 1.00 1.76 C ATOM 1054 CE1 HIS A 80 13.364 7.404 0.037 1.00 2.09 C ATOM 1055 NE2 HIS A 80 13.851 6.494 0.856 1.00 2.17 N ATOM 0 H HIS A 80 13.248 12.227 2.800 1.00 0.71 H new ATOM 0 HA HIS A 80 12.536 9.486 3.566 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.984 10.374 2.073 1.00 0.87 H new ATOM 0 HB3 HIS A 80 15.261 9.274 3.409 1.00 0.87 H new ATOM 0 HD2 HIS A 80 14.813 6.638 2.820 1.00 1.76 H new ATOM 0 HE1 HIS A 80 12.904 7.211 -0.921 1.00 2.09 H new ATOM 0 HE2 HIS A 80 13.856 5.488 0.688 1.00 2.17 H new ATOM 1064 N GLU A 81 13.540 9.835 5.805 1.00 0.75 N ATOM 1065 CA GLU A 81 13.977 10.121 7.155 1.00 0.77 C ATOM 1066 C GLU A 81 15.477 10.091 7.216 1.00 0.72 C ATOM 1067 O GLU A 81 16.086 9.077 6.878 1.00 0.92 O ATOM 1068 CB GLU A 81 13.446 9.074 8.114 1.00 0.94 C ATOM 1069 CG GLU A 81 13.771 9.347 9.565 1.00 1.70 C ATOM 1070 CD GLU A 81 13.597 8.117 10.437 1.00 2.35 C ATOM 1071 OE1 GLU A 81 13.790 6.995 9.922 1.00 3.05 O ATOM 1072 OE2 GLU A 81 13.271 8.272 11.631 1.00 2.71 O ATOM 0 H GLU A 81 13.021 8.963 5.702 1.00 0.75 H new ATOM 0 HA GLU A 81 13.601 11.105 7.436 1.00 0.77 H new ATOM 0 HB2 GLU A 81 12.364 9.008 8.001 1.00 0.94 H new ATOM 0 HB3 GLU A 81 13.855 8.102 7.837 1.00 0.94 H new ATOM 0 HG2 GLU A 81 14.798 9.703 9.644 1.00 1.70 H new ATOM 0 HG3 GLU A 81 13.128 10.145 9.935 1.00 1.70 H new ATOM 1079 N ASP A 82 16.090 11.175 7.650 1.00 0.76 N ATOM 1080 CA ASP A 82 17.537 11.177 7.734 1.00 0.77 C ATOM 1081 C ASP A 82 18.025 11.869 9.025 1.00 0.96 C ATOM 1082 O ASP A 82 17.941 13.087 9.162 1.00 1.21 O ATOM 1083 CB ASP A 82 18.122 11.806 6.445 1.00 0.86 C ATOM 1084 CG ASP A 82 18.897 13.093 6.669 1.00 1.34 C ATOM 1085 OD1 ASP A 82 18.268 14.170 6.646 1.00 2.02 O ATOM 1086 OD2 ASP A 82 20.133 13.022 6.846 1.00 1.82 O ATOM 0 H ASP A 82 15.629 12.037 7.941 1.00 0.76 H new ATOM 0 HA ASP A 82 17.903 10.152 7.799 1.00 0.77 H new ATOM 0 HB2 ASP A 82 18.779 11.079 5.967 1.00 0.86 H new ATOM 0 HB3 ASP A 82 17.306 12.004 5.750 1.00 0.86 H new ATOM 1091 N PRO A 83 18.521 11.080 10.010 1.00 1.15 N ATOM 1092 CA PRO A 83 18.986 11.609 11.305 1.00 1.42 C ATOM 1093 C PRO A 83 20.194 12.542 11.207 1.00 1.28 C ATOM 1094 O PRO A 83 20.487 13.271 12.155 1.00 1.40 O ATOM 1095 CB PRO A 83 19.357 10.354 12.111 1.00 1.81 C ATOM 1096 CG PRO A 83 18.696 9.219 11.407 1.00 1.93 C ATOM 1097 CD PRO A 83 18.640 9.610 9.958 1.00 1.42 C ATOM 0 HA PRO A 83 18.208 12.223 11.759 1.00 1.42 H new ATOM 0 HB2 PRO A 83 20.438 10.217 12.148 1.00 1.81 H new ATOM 0 HB3 PRO A 83 19.010 10.432 13.141 1.00 1.81 H new ATOM 0 HG2 PRO A 83 19.259 8.295 11.541 1.00 1.93 H new ATOM 0 HG3 PRO A 83 17.696 9.043 11.803 1.00 1.93 H new ATOM 0 HD2 PRO A 83 19.536 9.297 9.422 1.00 1.42 H new ATOM 0 HD3 PRO A 83 17.789 9.155 9.451 1.00 1.42 H new ATOM 1105 N ALA A 84 20.902 12.522 10.081 1.00 1.13 N ATOM 1106 CA ALA A 84 22.066 13.389 9.921 1.00 1.17 C ATOM 1107 C ALA A 84 21.653 14.851 9.971 1.00 1.20 C ATOM 1108 O ALA A 84 22.336 15.685 10.566 1.00 1.53 O ATOM 1109 CB ALA A 84 22.797 13.098 8.622 1.00 1.21 C ATOM 0 H ALA A 84 20.696 11.927 9.279 1.00 1.13 H new ATOM 0 HA ALA A 84 22.747 13.184 10.747 1.00 1.17 H new ATOM 0 HB1 ALA A 84 23.658 13.760 8.533 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.134 12.061 8.619 1.00 1.21 H new ATOM 0 HB3 ALA A 84 22.124 13.263 7.781 1.00 1.21 H new ATOM 1115 N CYS A 85 20.525 15.146 9.344 1.00 1.02 N ATOM 1116 CA CYS A 85 19.992 16.498 9.312 1.00 1.19 C ATOM 1117 C CYS A 85 18.977 16.699 10.447 1.00 1.46 C ATOM 1118 O CYS A 85 17.890 17.198 10.214 1.00 1.88 O ATOM 1119 CB CYS A 85 19.301 16.759 7.963 1.00 1.15 C ATOM 1120 SG CYS A 85 20.414 16.935 6.534 1.00 1.42 S ATOM 0 H CYS A 85 19.957 14.460 8.846 1.00 1.02 H new ATOM 0 HA CYS A 85 20.818 17.197 9.441 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.610 15.940 7.764 1.00 1.15 H new ATOM 0 HB3 CYS A 85 18.704 17.667 8.050 1.00 1.15 H new ATOM 1125 N ASP A 86 19.306 16.283 11.671 1.00 1.53 N ATOM 1126 CA ASP A 86 18.358 16.426 12.792 1.00 1.90 C ATOM 1127 C ASP A 86 18.314 17.861 13.328 1.00 1.82 C ATOM 1128 O ASP A 86 17.259 18.496 13.349 1.00 2.29 O ATOM 1129 CB ASP A 86 18.716 15.493 13.941 1.00 2.43 C ATOM 1130 CG ASP A 86 17.535 14.655 14.402 1.00 3.07 C ATOM 1131 OD1 ASP A 86 17.048 13.822 13.606 1.00 3.60 O ATOM 1132 OD2 ASP A 86 17.099 14.832 15.558 1.00 3.47 O ATOM 0 H ASP A 86 20.198 15.853 11.915 1.00 1.53 H new ATOM 0 HA ASP A 86 17.377 16.164 12.394 1.00 1.90 H new ATOM 0 HB2 ASP A 86 19.526 14.833 13.630 1.00 2.43 H new ATOM 0 HB3 ASP A 86 19.089 16.081 14.779 1.00 2.43 H new ATOM 1363 N CYS B 110 -3.326 1.245 17.017 1.00 2.52 N ATOM 1364 CA CYS B 110 -3.442 2.412 16.155 1.00 1.89 C ATOM 1365 C CYS B 110 -2.800 3.636 16.787 1.00 1.69 C ATOM 1366 O CYS B 110 -3.467 4.628 17.078 1.00 1.94 O ATOM 1367 CB CYS B 110 -4.905 2.682 15.778 1.00 2.23 C ATOM 1368 SG CYS B 110 -5.402 2.028 14.137 1.00 2.61 S ATOM 0 HA CYS B 110 -2.898 2.196 15.236 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -5.550 2.244 16.540 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -5.078 3.758 15.794 1.00 2.23 H new ATOM 0 HG CYS B 110 -6.653 2.308 13.919 1.00 2.61 H new ATOM 1373 N LEU B 111 -1.484 3.569 16.927 1.00 1.46 N ATOM 1374 CA LEU B 111 -0.680 4.665 17.449 1.00 1.37 C ATOM 1375 C LEU B 111 -1.178 6.030 16.973 1.00 1.20 C ATOM 1376 O LEU B 111 -1.048 6.346 15.797 1.00 1.18 O ATOM 1377 CB LEU B 111 0.783 4.472 17.071 1.00 1.54 C ATOM 1378 CG LEU B 111 1.764 4.546 18.244 1.00 1.90 C ATOM 1379 CD1 LEU B 111 3.046 3.805 17.913 1.00 2.47 C ATOM 1380 CD2 LEU B 111 2.068 5.994 18.600 1.00 2.26 C ATOM 0 H LEU B 111 -0.939 2.744 16.679 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.778 4.649 18.535 1.00 1.37 H new ATOM 0 HB2 LEU B 111 0.893 3.503 16.584 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.057 5.230 16.338 1.00 1.54 H new ATOM 0 HG LEU B 111 1.299 4.069 19.107 1.00 1.90 H new ATOM 0 HD11 LEU B 111 3.731 3.868 18.758 1.00 2.47 H new ATOM 0 HD12 LEU B 111 2.819 2.759 17.707 1.00 2.47 H new ATOM 0 HD13 LEU B 111 3.510 4.255 17.035 1.00 2.47 H new ATOM 0 HD21 LEU B 111 2.767 6.024 19.436 1.00 2.26 H new ATOM 0 HD22 LEU B 111 2.510 6.495 17.739 1.00 2.26 H new ATOM 0 HD23 LEU B 111 1.145 6.501 18.880 1.00 2.26 H new ATOM 1392 N PRO B 112 -1.718 6.875 17.854 1.00 1.19 N ATOM 1393 CA PRO B 112 -2.182 8.205 17.476 1.00 1.12 C ATOM 1394 C PRO B 112 -1.027 9.214 17.486 1.00 1.03 C ATOM 1395 O PRO B 112 -0.126 9.108 18.317 1.00 1.06 O ATOM 1396 CB PRO B 112 -3.229 8.508 18.533 1.00 1.30 C ATOM 1397 CG PRO B 112 -2.744 7.805 19.756 1.00 1.47 C ATOM 1398 CD PRO B 112 -1.905 6.630 19.294 1.00 1.37 C ATOM 0 HA PRO B 112 -2.583 8.262 16.464 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -3.322 9.581 18.703 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -4.212 8.147 18.232 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -2.154 8.478 20.378 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -3.583 7.464 20.362 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.951 6.589 19.820 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -2.411 5.682 19.476 1.00 1.37 H new ATOM 1406 N CYS B 113 -1.128 10.274 16.684 1.00 0.94 N ATOM 1407 CA CYS B 113 -0.106 11.324 16.748 1.00 0.90 C ATOM 1408 C CYS B 113 -0.607 12.695 16.296 1.00 0.91 C ATOM 1409 O CYS B 113 -1.775 12.878 15.956 1.00 1.00 O ATOM 1410 CB CYS B 113 1.108 10.919 15.918 1.00 0.83 C ATOM 1411 SG CYS B 113 0.837 10.915 14.121 1.00 0.87 S ATOM 0 H CYS B 113 -1.875 10.429 16.007 1.00 0.94 H new ATOM 0 HA CYS B 113 0.166 11.424 17.799 1.00 0.90 H new ATOM 0 HB2 CYS B 113 1.929 11.599 16.146 1.00 0.83 H new ATOM 0 HB3 CYS B 113 1.425 9.922 16.226 1.00 0.83 H new ATOM 1416 N GLY B 114 0.320 13.643 16.237 1.00 0.92 N ATOM 1417 CA GLY B 114 -0.001 14.975 15.771 1.00 0.99 C ATOM 1418 C GLY B 114 -0.800 15.784 16.763 1.00 1.11 C ATOM 1419 O GLY B 114 -0.862 15.436 17.942 1.00 1.16 O ATOM 0 H GLY B 114 1.295 13.510 16.506 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.924 15.505 15.544 1.00 0.99 H new ATOM 0 HA3 GLY B 114 -0.562 14.900 14.840 1.00 0.99 H new ATOM 1423 N PRO B 115 -1.464 16.855 16.306 1.00 1.19 N ATOM 1424 CA PRO B 115 -2.313 17.698 17.160 1.00 1.33 C ATOM 1425 C PRO B 115 -3.520 16.947 17.704 1.00 1.40 C ATOM 1426 O PRO B 115 -4.534 16.790 17.036 1.00 1.57 O ATOM 1427 CB PRO B 115 -2.789 18.755 16.178 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.913 17.906 15.000 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.552 17.312 14.915 1.00 1.21 C ATOM 0 HA PRO B 115 -1.781 18.071 18.035 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -3.733 19.213 16.472 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -2.071 19.564 16.044 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.685 17.146 15.122 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -3.167 18.478 14.108 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.483 16.500 14.192 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -0.783 18.038 14.653 1.00 1.21 H new ATOM 1437 N GLY B 116 -3.364 16.459 18.880 1.00 1.35 N ATOM 1438 CA GLY B 116 -4.402 15.693 19.519 1.00 1.48 C ATOM 1439 C GLY B 116 -4.347 14.240 19.191 1.00 1.44 C ATOM 1440 O GLY B 116 -5.260 13.482 19.533 1.00 1.70 O ATOM 0 H GLY B 116 -2.517 16.572 19.438 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -4.324 15.818 20.599 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -5.373 16.089 19.221 1.00 1.48 H new ATOM 1444 N GLY B 117 -3.266 13.816 18.580 1.00 1.29 N ATOM 1445 CA GLY B 117 -3.153 12.432 18.315 1.00 1.26 C ATOM 1446 C GLY B 117 -4.239 11.960 17.404 1.00 1.26 C ATOM 1447 O GLY B 117 -4.800 10.881 17.579 1.00 1.38 O ATOM 0 H GLY B 117 -2.487 14.398 18.273 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -2.182 12.225 17.864 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -3.195 11.876 19.252 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.534 12.816 16.427 1.00 1.19 N ATOM 1452 CA LYS B 118 -5.551 12.548 15.432 1.00 1.25 C ATOM 1453 C LYS B 118 -4.972 11.868 14.183 1.00 1.15 C ATOM 1454 O LYS B 118 -5.682 11.720 13.192 1.00 1.25 O ATOM 1455 CB LYS B 118 -6.299 13.826 15.036 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.228 14.957 16.057 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.613 15.505 16.384 1.00 1.78 C ATOM 1458 CE LYS B 118 -7.824 16.908 15.824 1.00 1.95 C ATOM 1459 NZ LYS B 118 -8.241 16.886 14.391 1.00 2.54 N ATOM 0 H LYS B 118 -4.068 13.716 16.310 1.00 1.19 H new ATOM 0 HA LYS B 118 -6.259 11.859 15.892 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.897 14.186 14.089 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -7.346 13.578 14.864 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -5.754 14.595 16.970 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.601 15.760 15.669 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -8.372 14.836 15.978 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -7.749 15.523 17.465 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -8.583 17.422 16.414 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.901 17.480 15.923 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -8.373 17.861 14.053 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -7.506 16.419 13.823 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -9.135 16.363 14.298 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.687 11.477 14.202 1.00 1.04 N ATOM 1474 CA GLY B 119 -3.079 10.814 13.052 1.00 0.97 C ATOM 1475 C GLY B 119 -2.697 9.418 13.464 1.00 0.93 C ATOM 1476 O GLY B 119 -3.114 8.994 14.536 1.00 1.02 O ATOM 0 H GLY B 119 -3.060 11.610 14.996 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.778 10.786 12.216 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.201 11.365 12.716 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.789 8.730 12.789 1.00 0.87 N ATOM 1481 CA ARG B 120 -1.351 7.436 13.265 1.00 0.87 C ATOM 1482 C ARG B 120 0.127 7.335 12.897 1.00 0.80 C ATOM 1483 O ARG B 120 0.632 8.214 12.196 1.00 0.79 O ATOM 1484 CB ARG B 120 -2.189 6.320 12.649 1.00 0.95 C ATOM 1485 CG ARG B 120 -3.039 5.584 13.673 1.00 1.16 C ATOM 1486 CD ARG B 120 -4.413 6.225 13.816 1.00 1.60 C ATOM 1487 NE ARG B 120 -5.493 5.328 13.410 1.00 1.82 N ATOM 1488 CZ ARG B 120 -5.917 5.192 12.155 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -5.361 5.891 11.174 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -6.908 4.356 11.881 1.00 2.89 N ATOM 0 H ARG B 120 -1.349 9.043 11.924 1.00 0.87 H new ATOM 0 HA ARG B 120 -1.479 7.329 14.342 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -2.838 6.741 11.881 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -1.529 5.608 12.153 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -3.151 4.542 13.374 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -2.532 5.586 14.638 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.564 6.525 14.853 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -4.452 7.132 13.213 1.00 1.60 H new ATOM 0 HE ARG B 120 -5.950 4.772 14.133 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -4.601 6.540 11.378 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.693 5.779 10.216 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -7.344 3.819 12.630 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -7.235 4.250 10.921 1.00 2.89 H new ATOM 1504 N CYS B 121 0.843 6.332 13.378 1.00 0.82 N ATOM 1505 CA CYS B 121 2.277 6.264 13.090 1.00 0.81 C ATOM 1506 C CYS B 121 2.601 5.184 12.071 1.00 0.85 C ATOM 1507 O CYS B 121 2.091 4.067 12.141 1.00 1.05 O ATOM 1508 CB CYS B 121 3.064 5.994 14.385 1.00 0.91 C ATOM 1509 SG CYS B 121 3.865 7.461 15.125 1.00 1.07 S ATOM 0 H CYS B 121 0.476 5.573 13.952 1.00 0.82 H new ATOM 0 HA CYS B 121 2.569 7.226 12.669 1.00 0.81 H new ATOM 0 HB2 CYS B 121 2.386 5.560 15.120 1.00 0.91 H new ATOM 0 HB3 CYS B 121 3.830 5.247 14.177 1.00 0.91 H new ATOM 1514 N PHE B 122 3.462 5.548 11.115 1.00 0.76 N ATOM 1515 CA PHE B 122 3.877 4.630 10.053 1.00 0.84 C ATOM 1516 C PHE B 122 5.398 4.560 9.944 1.00 0.95 C ATOM 1517 O PHE B 122 5.932 4.043 8.963 1.00 1.44 O ATOM 1518 CB PHE B 122 3.293 5.083 8.712 1.00 0.86 C ATOM 1519 CG PHE B 122 1.829 4.800 8.583 1.00 0.86 C ATOM 1520 CD1 PHE B 122 0.891 5.708 9.048 1.00 1.41 C ATOM 1521 CD2 PHE B 122 1.388 3.620 8.010 1.00 1.42 C ATOM 1522 CE1 PHE B 122 -0.461 5.443 8.941 1.00 1.53 C ATOM 1523 CE2 PHE B 122 0.037 3.352 7.905 1.00 1.50 C ATOM 1524 CZ PHE B 122 -0.887 4.262 8.370 1.00 1.15 C ATOM 0 H PHE B 122 3.885 6.474 11.056 1.00 0.76 H new ATOM 0 HA PHE B 122 3.502 3.638 10.304 1.00 0.84 H new ATOM 0 HB2 PHE B 122 3.462 6.153 8.592 1.00 0.86 H new ATOM 0 HB3 PHE B 122 3.826 4.583 7.903 1.00 0.86 H new ATOM 0 HD1 PHE B 122 1.220 6.633 9.499 1.00 1.41 H new ATOM 0 HD2 PHE B 122 2.106 2.902 7.642 1.00 1.42 H new ATOM 0 HE1 PHE B 122 -1.183 6.160 9.304 1.00 1.53 H new ATOM 0 HE2 PHE B 122 -0.296 2.427 7.457 1.00 1.50 H new ATOM 0 HZ PHE B 122 -1.943 4.051 8.288 1.00 1.15 H new ATOM 1534 N GLY B 123 6.097 5.076 10.952 1.00 0.84 N ATOM 1535 CA GLY B 123 7.548 5.050 10.927 1.00 0.89 C ATOM 1536 C GLY B 123 8.162 5.599 12.201 1.00 0.89 C ATOM 1537 O GLY B 123 7.463 5.781 13.196 1.00 0.90 O ATOM 0 H GLY B 123 5.687 5.509 11.780 1.00 0.84 H new ATOM 0 HA2 GLY B 123 7.887 4.025 10.777 1.00 0.89 H new ATOM 0 HA3 GLY B 123 7.904 5.631 10.076 1.00 0.89 H new ATOM 1541 N PRO B 124 9.479 5.861 12.208 1.00 1.02 N ATOM 1542 CA PRO B 124 10.174 6.381 13.383 1.00 1.08 C ATOM 1543 C PRO B 124 10.023 7.898 13.539 1.00 0.96 C ATOM 1544 O PRO B 124 9.771 8.395 14.638 1.00 1.02 O ATOM 1545 CB PRO B 124 11.646 6.006 13.130 1.00 1.33 C ATOM 1546 CG PRO B 124 11.688 5.322 11.794 1.00 1.51 C ATOM 1547 CD PRO B 124 10.403 5.658 11.091 1.00 1.26 C ATOM 0 HA PRO B 124 9.768 5.966 14.305 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.278 6.894 13.131 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.019 5.348 13.915 1.00 1.33 H new ATOM 0 HG2 PRO B 124 12.546 5.661 11.213 1.00 1.51 H new ATOM 0 HG3 PRO B 124 11.791 4.244 11.915 1.00 1.51 H new ATOM 0 HD2 PRO B 124 10.499 6.552 10.475 1.00 1.26 H new ATOM 0 HD3 PRO B 124 10.076 4.852 10.434 1.00 1.26 H new ATOM 1555 N SER B 125 10.177 8.626 12.433 1.00 0.97 N ATOM 1556 CA SER B 125 10.056 10.088 12.435 1.00 0.92 C ATOM 1557 C SER B 125 9.022 10.543 11.420 1.00 0.76 C ATOM 1558 O SER B 125 8.998 11.708 11.017 1.00 0.78 O ATOM 1559 CB SER B 125 11.394 10.734 12.076 1.00 1.12 C ATOM 1560 OG SER B 125 11.722 11.772 12.979 1.00 1.25 O ATOM 0 H SER B 125 10.387 8.226 11.518 1.00 0.97 H new ATOM 0 HA SER B 125 9.750 10.392 13.436 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.180 9.978 12.086 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.348 11.132 11.062 1.00 1.12 H new ATOM 0 HG SER B 125 12.583 12.166 12.726 1.00 1.25 H new ATOM 1566 N ILE B 126 8.195 9.618 10.979 1.00 0.70 N ATOM 1567 CA ILE B 126 7.200 9.922 9.986 1.00 0.60 C ATOM 1568 C ILE B 126 5.810 9.512 10.444 1.00 0.57 C ATOM 1569 O ILE B 126 5.547 8.340 10.738 1.00 0.74 O ATOM 1570 CB ILE B 126 7.527 9.242 8.644 1.00 0.60 C ATOM 1571 CG1 ILE B 126 9.028 9.012 8.489 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.025 10.091 7.505 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.365 8.045 7.377 1.00 0.85 C ATOM 0 H ILE B 126 8.197 8.649 11.297 1.00 0.70 H new ATOM 0 HA ILE B 126 7.212 11.003 9.845 1.00 0.60 H new ATOM 0 HB ILE B 126 7.030 8.272 8.628 1.00 0.60 H new ATOM 0 HG12 ILE B 126 9.518 9.966 8.295 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.431 8.632 9.428 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.259 9.605 6.558 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.946 10.215 7.592 1.00 0.72 H new ATOM 0 HG23 ILE B 126 7.507 11.068 7.540 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.446 7.923 7.316 1.00 0.85 H new ATOM 0 HD12 ILE B 126 8.902 7.080 7.581 1.00 0.85 H new ATOM 0 HD13 ILE B 126 8.990 8.434 6.430 1.00 0.85 H new ATOM 1585 N CYS B 127 4.914 10.485 10.492 1.00 0.54 N ATOM 1586 CA CYS B 127 3.545 10.217 10.891 1.00 0.53 C ATOM 1587 C CYS B 127 2.620 10.580 9.755 1.00 0.53 C ATOM 1588 O CYS B 127 2.762 11.630 9.144 1.00 0.56 O ATOM 1589 CB CYS B 127 3.147 10.985 12.147 1.00 0.56 C ATOM 1590 SG CYS B 127 2.472 9.921 13.453 1.00 0.89 S ATOM 0 H CYS B 127 5.109 11.459 10.261 1.00 0.54 H new ATOM 0 HA CYS B 127 3.465 9.155 11.124 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.018 11.514 12.533 1.00 0.56 H new ATOM 0 HB3 CYS B 127 2.406 11.740 11.884 1.00 0.56 H new ATOM 1595 N CYS B 128 1.690 9.708 9.452 1.00 0.53 N ATOM 1596 CA CYS B 128 0.767 9.962 8.364 1.00 0.56 C ATOM 1597 C CYS B 128 -0.599 9.397 8.666 1.00 0.60 C ATOM 1598 O CYS B 128 -0.707 8.174 8.813 1.00 0.76 O ATOM 1599 CB CYS B 128 1.280 9.336 7.052 1.00 0.63 C ATOM 1600 SG CYS B 128 2.948 8.608 7.135 1.00 1.23 S ATOM 0 H CYS B 128 1.549 8.822 9.937 1.00 0.53 H new ATOM 0 HA CYS B 128 0.694 11.044 8.251 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.579 8.562 6.740 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.274 10.102 6.277 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.698 10.191 8.714 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.964 9.592 8.928 1.00 0.65 C ATOM 1607 C GLY B 129 -3.784 9.805 7.682 1.00 0.66 C ATOM 1608 O GLY B 129 -3.233 10.015 6.598 1.00 0.64 O ATOM 0 H GLY B 129 -1.700 11.205 8.608 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.854 8.528 9.137 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.457 10.037 9.792 1.00 0.65 H new ATOM 1612 N ASP B 130 -5.083 9.755 7.831 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.997 9.914 6.712 1.00 0.76 C ATOM 1614 C ASP B 130 -5.924 11.302 6.133 1.00 0.77 C ATOM 1615 O ASP B 130 -5.542 11.467 4.985 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.418 9.605 7.153 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.323 9.277 5.983 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -8.197 8.167 5.424 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -9.156 10.134 5.621 1.00 2.35 O ATOM 0 H ASP B 130 -5.544 9.603 8.728 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.700 9.212 5.933 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -7.406 8.765 7.847 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.823 10.460 7.694 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.421 12.284 6.848 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.461 13.628 6.308 1.00 0.85 C ATOM 1626 C GLU B 131 -5.505 14.509 7.053 1.00 0.89 C ATOM 1627 O GLU B 131 -5.658 15.730 7.092 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.867 14.224 6.562 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.874 13.283 7.224 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.314 13.631 6.884 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.904 14.481 7.588 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.856 13.055 5.915 1.00 1.63 O ATOM 0 H GLU B 131 -6.798 12.184 7.790 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.212 13.581 5.248 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.759 15.110 7.188 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.279 14.556 5.609 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.668 12.259 6.911 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.742 13.318 8.305 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.443 13.914 7.493 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.385 14.564 8.146 1.00 0.89 C ATOM 1641 C LEU B 132 -2.144 14.196 7.343 1.00 0.83 C ATOM 1642 O LEU B 132 -1.153 14.923 7.337 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.332 14.042 9.575 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.628 15.076 10.669 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.902 14.400 12.008 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.486 16.068 10.784 1.00 1.38 C ATOM 0 H LEU B 132 -4.296 12.909 7.395 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.484 15.648 8.202 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -4.046 13.224 9.671 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.341 13.624 9.754 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.529 15.621 10.386 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -4.108 15.159 12.763 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.764 13.739 11.912 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -3.030 13.818 12.307 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.712 16.794 11.565 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.568 15.538 11.037 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.356 16.585 9.833 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.274 13.117 6.555 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.262 12.731 5.657 1.00 0.70 C ATOM 1660 C GLY B 133 0.012 12.259 6.307 1.00 0.66 C ATOM 1661 O GLY B 133 -0.041 11.485 7.236 1.00 0.65 O ATOM 0 H GLY B 133 -3.095 12.512 6.549 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.645 11.934 5.020 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.031 13.575 5.007 1.00 0.70 H new ATOM 1665 N CYS B 134 1.168 12.705 5.829 1.00 0.69 N ATOM 1666 CA CYS B 134 2.432 12.235 6.404 1.00 0.68 C ATOM 1667 C CYS B 134 3.446 13.336 6.658 1.00 0.64 C ATOM 1668 O CYS B 134 3.946 13.936 5.714 1.00 0.62 O ATOM 1669 CB CYS B 134 3.085 11.213 5.457 1.00 0.72 C ATOM 1670 SG CYS B 134 4.167 9.988 6.271 1.00 1.08 S ATOM 0 H CYS B 134 1.262 13.374 5.065 1.00 0.69 H new ATOM 0 HA CYS B 134 2.168 11.798 7.367 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.298 10.682 4.922 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.669 11.753 4.711 1.00 0.72 H new ATOM 1675 N PHE B 135 3.803 13.560 7.929 1.00 0.67 N ATOM 1676 CA PHE B 135 4.814 14.555 8.248 1.00 0.66 C ATOM 1677 C PHE B 135 6.112 13.821 8.434 1.00 0.64 C ATOM 1678 O PHE B 135 6.301 13.123 9.433 1.00 0.64 O ATOM 1679 CB PHE B 135 4.485 15.344 9.527 1.00 0.70 C ATOM 1680 CG PHE B 135 3.113 15.090 10.067 1.00 0.72 C ATOM 1681 CD1 PHE B 135 2.027 15.770 9.555 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.910 14.157 11.066 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.759 15.522 10.026 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.642 13.909 11.547 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.564 14.590 11.026 1.00 1.23 C ATOM 0 H PHE B 135 3.411 13.072 8.734 1.00 0.67 H new ATOM 0 HA PHE B 135 4.864 15.282 7.437 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.218 15.093 10.294 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.591 16.409 9.321 1.00 0.70 H new ATOM 0 HD1 PHE B 135 2.174 16.504 8.777 1.00 0.96 H new ATOM 0 HD2 PHE B 135 3.752 13.617 11.474 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.084 16.056 9.614 1.00 1.19 H new ATOM 0 HE2 PHE B 135 1.494 13.182 12.331 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.431 14.396 11.399 1.00 1.23 H new ATOM 1695 N VAL B 136 7.008 13.963 7.488 1.00 0.66 N ATOM 1696 CA VAL B 136 8.263 13.280 7.591 1.00 0.68 C ATOM 1697 C VAL B 136 9.263 14.156 8.291 1.00 0.71 C ATOM 1698 O VAL B 136 10.027 14.910 7.683 1.00 0.74 O ATOM 1699 CB VAL B 136 8.782 12.791 6.220 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.760 11.638 6.394 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.613 12.365 5.337 1.00 0.74 C ATOM 0 H VAL B 136 6.890 14.537 6.653 1.00 0.66 H new ATOM 0 HA VAL B 136 8.111 12.381 8.188 1.00 0.68 H new ATOM 0 HB VAL B 136 9.307 13.615 5.737 1.00 0.73 H new ATOM 0 HG11 VAL B 136 10.113 11.309 5.416 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.608 11.968 6.994 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.260 10.810 6.897 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.991 12.022 4.374 1.00 0.74 H new ATOM 0 HG22 VAL B 136 7.067 11.555 5.822 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.945 13.212 5.184 1.00 0.74 H new ATOM 1711 N GLY B 137 9.213 14.042 9.606 1.00 0.72 N ATOM 1712 CA GLY B 137 10.113 14.801 10.463 1.00 0.76 C ATOM 1713 C GLY B 137 9.472 16.006 11.122 1.00 0.73 C ATOM 1714 O GLY B 137 9.814 17.144 10.814 1.00 0.83 O ATOM 0 H GLY B 137 8.563 13.435 10.104 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.502 14.141 11.238 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.965 15.135 9.871 1.00 0.76 H new ATOM 1718 N THR B 138 8.560 15.750 12.050 1.00 0.69 N ATOM 1719 CA THR B 138 7.877 16.807 12.785 1.00 0.70 C ATOM 1720 C THR B 138 7.597 16.321 14.194 1.00 0.73 C ATOM 1721 O THR B 138 7.741 15.129 14.466 1.00 0.77 O ATOM 1722 CB THR B 138 6.587 17.206 12.082 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.705 16.106 12.008 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.819 17.705 10.677 1.00 0.77 C ATOM 0 H THR B 138 8.273 14.807 12.314 1.00 0.69 H new ATOM 0 HA THR B 138 8.513 17.691 12.827 1.00 0.70 H new ATOM 0 HB THR B 138 6.159 18.014 12.675 1.00 0.73 H new ATOM 0 HG1 THR B 138 6.188 15.284 12.233 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.865 17.975 10.225 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.468 18.580 10.704 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.292 16.921 10.086 1.00 0.77 H new ATOM 1732 N ALA B 139 7.103 17.185 15.070 1.00 0.79 N ATOM 1733 CA ALA B 139 6.763 16.751 16.408 1.00 0.88 C ATOM 1734 C ALA B 139 5.427 16.021 16.386 1.00 0.83 C ATOM 1735 O ALA B 139 5.129 15.230 17.271 1.00 0.87 O ATOM 1736 CB ALA B 139 6.737 17.939 17.359 1.00 1.04 C ATOM 0 H ALA B 139 6.933 18.172 14.879 1.00 0.79 H new ATOM 0 HA ALA B 139 7.523 16.059 16.770 1.00 0.88 H new ATOM 0 HB1 ALA B 139 6.480 17.597 18.361 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.719 18.412 17.378 1.00 1.04 H new ATOM 0 HB3 ALA B 139 5.994 18.660 17.020 1.00 1.04 H new ATOM 1742 N GLU B 140 4.670 16.215 15.311 1.00 0.79 N ATOM 1743 CA GLU B 140 3.410 15.501 15.145 1.00 0.79 C ATOM 1744 C GLU B 140 3.706 14.020 14.943 1.00 0.73 C ATOM 1745 O GLU B 140 2.819 13.176 15.039 1.00 0.79 O ATOM 1746 CB GLU B 140 2.615 16.035 13.948 1.00 0.83 C ATOM 1747 CG GLU B 140 1.831 17.294 14.260 1.00 1.27 C ATOM 1748 CD GLU B 140 2.725 18.507 14.358 1.00 1.55 C ATOM 1749 OE1 GLU B 140 3.326 18.885 13.331 1.00 2.31 O ATOM 1750 OE2 GLU B 140 2.832 19.076 15.465 1.00 1.90 O ATOM 0 H GLU B 140 4.903 16.853 14.550 1.00 0.79 H new ATOM 0 HA GLU B 140 2.806 15.651 16.040 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.302 16.238 13.126 1.00 0.83 H new ATOM 0 HB3 GLU B 140 1.927 15.263 13.605 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.083 17.457 13.484 1.00 1.27 H new ATOM 0 HG3 GLU B 140 1.293 17.163 15.199 1.00 1.27 H new ATOM 1757 N ALA B 141 4.973 13.729 14.661 1.00 0.69 N ATOM 1758 CA ALA B 141 5.420 12.372 14.427 1.00 0.70 C ATOM 1759 C ALA B 141 6.495 11.953 15.417 1.00 0.77 C ATOM 1760 O ALA B 141 6.824 10.783 15.495 1.00 0.87 O ATOM 1761 CB ALA B 141 5.941 12.237 13.004 1.00 0.75 C ATOM 0 H ALA B 141 5.711 14.429 14.590 1.00 0.69 H new ATOM 0 HA ALA B 141 4.565 11.711 14.568 1.00 0.70 H new ATOM 0 HB1 ALA B 141 6.276 11.214 12.835 1.00 0.75 H new ATOM 0 HB2 ALA B 141 5.145 12.479 12.300 1.00 0.75 H new ATOM 0 HB3 ALA B 141 6.777 12.921 12.856 1.00 0.75 H new ATOM 1767 N LEU B 142 7.112 12.892 16.126 1.00 0.80 N ATOM 1768 CA LEU B 142 8.192 12.526 17.022 1.00 0.93 C ATOM 1769 C LEU B 142 7.774 11.549 18.109 1.00 1.06 C ATOM 1770 O LEU B 142 8.609 10.798 18.616 1.00 1.24 O ATOM 1771 CB LEU B 142 8.895 13.785 17.500 1.00 0.97 C ATOM 1772 CG LEU B 142 8.388 14.570 18.728 1.00 1.01 C ATOM 1773 CD1 LEU B 142 6.983 14.207 19.157 1.00 1.11 C ATOM 1774 CD2 LEU B 142 9.371 14.452 19.889 1.00 1.14 C ATOM 0 H LEU B 142 6.888 13.887 16.098 1.00 0.80 H new ATOM 0 HA LEU B 142 8.932 11.943 16.474 1.00 0.93 H new ATOM 0 HB2 LEU B 142 9.931 13.513 17.702 1.00 0.97 H new ATOM 0 HB3 LEU B 142 8.906 14.481 16.661 1.00 0.97 H new ATOM 0 HG LEU B 142 8.332 15.612 18.414 1.00 1.01 H new ATOM 0 HD11 LEU B 142 6.702 14.803 20.026 1.00 1.11 H new ATOM 0 HD12 LEU B 142 6.290 14.408 18.340 1.00 1.11 H new ATOM 0 HD13 LEU B 142 6.943 13.149 19.415 1.00 1.11 H new ATOM 0 HD21 LEU B 142 8.993 15.013 20.744 1.00 1.14 H new ATOM 0 HD22 LEU B 142 9.485 13.404 20.164 1.00 1.14 H new ATOM 0 HD23 LEU B 142 10.338 14.855 19.589 1.00 1.14 H new ATOM 1786 N ARG B 143 6.473 11.478 18.402 1.00 1.06 N ATOM 1787 CA ARG B 143 5.997 10.493 19.355 1.00 1.26 C ATOM 1788 C ARG B 143 6.282 9.121 18.723 1.00 1.27 C ATOM 1789 O ARG B 143 6.260 8.074 19.377 1.00 1.49 O ATOM 1790 CB ARG B 143 4.536 10.764 19.739 1.00 1.35 C ATOM 1791 CG ARG B 143 3.465 10.156 18.845 1.00 1.36 C ATOM 1792 CD ARG B 143 2.802 8.981 19.534 1.00 1.50 C ATOM 1793 NE ARG B 143 2.320 9.343 20.867 1.00 1.90 N ATOM 1794 CZ ARG B 143 3.005 9.132 21.994 1.00 2.20 C ATOM 1795 NH1 ARG B 143 4.233 8.624 21.953 1.00 2.36 N ATOM 1796 NH2 ARG B 143 2.477 9.467 23.161 1.00 2.93 N ATOM 0 H ARG B 143 5.752 12.078 18.001 1.00 1.06 H new ATOM 0 HA ARG B 143 6.512 10.536 20.315 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.379 10.398 20.754 1.00 1.35 H new ATOM 0 HB3 ARG B 143 4.386 11.843 19.762 1.00 1.35 H new ATOM 0 HG2 ARG B 143 2.717 10.910 18.599 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.910 9.830 17.905 1.00 1.36 H new ATOM 0 HD2 ARG B 143 1.968 8.626 18.928 1.00 1.50 H new ATOM 0 HD3 ARG B 143 3.511 8.157 19.614 1.00 1.50 H new ATOM 0 HE ARG B 143 1.403 9.784 20.940 1.00 1.90 H new ATOM 0 HH11 ARG B 143 4.659 8.392 21.056 1.00 2.36 H new ATOM 0 HH12 ARG B 143 4.749 8.466 22.819 1.00 2.36 H new ATOM 0 HH21 ARG B 143 1.548 9.886 23.199 1.00 2.93 H new ATOM 0 HH22 ARG B 143 2.999 9.306 24.022 1.00 2.93 H new ATOM 1810 N CYS B 144 6.445 9.168 17.393 1.00 1.10 N ATOM 1811 CA CYS B 144 6.685 7.939 16.592 1.00 1.17 C ATOM 1812 C CYS B 144 7.972 7.218 17.072 1.00 1.44 C ATOM 1813 O CYS B 144 8.348 6.165 16.543 1.00 1.61 O ATOM 1814 CB CYS B 144 6.853 8.266 15.098 1.00 1.05 C ATOM 1815 SG CYS B 144 5.518 7.706 13.977 1.00 1.26 S ATOM 0 H CYS B 144 6.417 10.029 16.846 1.00 1.10 H new ATOM 0 HA CYS B 144 5.815 7.296 16.729 1.00 1.17 H new ATOM 0 HB2 CYS B 144 6.952 9.347 14.996 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.790 7.826 14.757 1.00 1.05 H new ATOM 1820 N GLN B 145 8.601 7.757 18.111 1.00 1.58 N ATOM 1821 CA GLN B 145 9.805 7.163 18.681 1.00 1.89 C ATOM 1822 C GLN B 145 9.453 6.062 19.676 1.00 2.14 C ATOM 1823 O GLN B 145 10.288 5.214 20.010 1.00 2.40 O ATOM 1824 CB GLN B 145 10.646 8.229 19.378 1.00 2.00 C ATOM 1825 CG GLN B 145 11.467 9.089 18.429 1.00 2.43 C ATOM 1826 CD GLN B 145 12.681 8.367 17.878 1.00 2.77 C ATOM 1827 OE1 GLN B 145 12.708 7.972 16.712 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.698 8.192 18.716 1.00 3.05 N ATOM 0 H GLN B 145 8.294 8.610 18.578 1.00 1.58 H new ATOM 0 HA GLN B 145 10.380 6.726 17.864 1.00 1.89 H new ATOM 0 HB2 GLN B 145 9.987 8.875 19.959 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.318 7.742 20.084 1.00 2.00 H new ATOM 0 HG2 GLN B 145 10.836 9.411 17.601 1.00 2.43 H new ATOM 0 HG3 GLN B 145 11.792 9.989 18.951 1.00 2.43 H new ATOM 0 HE21 GLN B 145 13.634 8.535 19.674 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.542 7.715 18.401 1.00 3.05 H new ATOM 1837 N GLU B 146 8.209 6.052 20.137 1.00 2.12 N ATOM 1838 CA GLU B 146 7.794 5.042 21.089 1.00 2.41 C ATOM 1839 C GLU B 146 7.355 3.792 20.353 1.00 2.40 C ATOM 1840 O GLU B 146 6.905 2.823 20.971 1.00 2.57 O ATOM 1841 CB GLU B 146 6.650 5.553 21.976 1.00 2.47 C ATOM 1842 CG GLU B 146 6.523 4.804 23.298 1.00 2.88 C ATOM 1843 CD GLU B 146 5.086 4.667 23.772 1.00 3.26 C ATOM 1844 OE1 GLU B 146 4.555 5.638 24.354 1.00 3.76 O ATOM 1845 OE2 GLU B 146 4.491 3.588 23.568 1.00 3.59 O ATOM 0 H GLU B 146 7.485 6.720 19.871 1.00 2.12 H new ATOM 0 HA GLU B 146 8.644 4.809 21.731 1.00 2.41 H new ATOM 0 HB2 GLU B 146 6.806 6.612 22.181 1.00 2.47 H new ATOM 0 HB3 GLU B 146 5.711 5.469 21.428 1.00 2.47 H new ATOM 0 HG2 GLU B 146 6.959 3.811 23.189 1.00 2.88 H new ATOM 0 HG3 GLU B 146 7.102 5.325 24.060 1.00 2.88 H new ATOM 1852 N GLU B 147 7.548 3.783 19.029 1.00 2.27 N ATOM 1853 CA GLU B 147 7.213 2.610 18.252 1.00 2.36 C ATOM 1854 C GLU B 147 8.351 1.596 18.343 1.00 2.40 C ATOM 1855 O GLU B 147 8.300 0.534 17.719 1.00 2.48 O ATOM 1856 CB GLU B 147 6.954 2.987 16.794 1.00 2.40 C ATOM 1857 CG GLU B 147 5.684 2.380 16.219 1.00 2.97 C ATOM 1858 CD GLU B 147 5.823 2.032 14.751 1.00 3.47 C ATOM 1859 OE1 GLU B 147 5.726 2.952 13.911 1.00 4.01 O ATOM 1860 OE2 GLU B 147 6.032 0.841 14.440 1.00 3.71 O ATOM 0 H GLU B 147 7.927 4.563 18.492 1.00 2.27 H new ATOM 0 HA GLU B 147 6.303 2.166 18.655 1.00 2.36 H new ATOM 0 HB2 GLU B 147 6.895 4.072 16.714 1.00 2.40 H new ATOM 0 HB3 GLU B 147 7.804 2.669 16.190 1.00 2.40 H new ATOM 0 HG2 GLU B 147 5.428 1.481 16.780 1.00 2.97 H new ATOM 0 HG3 GLU B 147 4.859 3.081 16.347 1.00 2.97 H new ATOM 1987 N SER B 156 -1.675 -0.535 7.153 1.00 2.21 N ATOM 1988 CA SER B 156 -0.694 0.188 6.342 1.00 2.03 C ATOM 1989 C SER B 156 -1.430 0.959 5.237 1.00 1.77 C ATOM 1990 O SER B 156 -1.854 2.092 5.445 1.00 2.17 O ATOM 1991 CB SER B 156 0.339 -0.785 5.760 1.00 2.58 C ATOM 1992 OG SER B 156 1.637 -0.499 6.249 1.00 3.11 O ATOM 0 HA SER B 156 -0.152 0.901 6.963 1.00 2.03 H new ATOM 0 HB2 SER B 156 0.066 -1.808 6.019 1.00 2.58 H new ATOM 0 HB3 SER B 156 0.334 -0.719 4.672 1.00 2.58 H new ATOM 0 HG SER B 156 2.278 -1.133 5.866 1.00 3.11 H new ATOM 1998 N GLY B 157 -1.532 0.360 4.055 1.00 1.55 N ATOM 1999 CA GLY B 157 -2.181 0.987 2.918 1.00 1.82 C ATOM 2000 C GLY B 157 -1.817 0.215 1.683 1.00 1.65 C ATOM 2001 O GLY B 157 -0.654 -0.165 1.544 1.00 2.07 O ATOM 0 H GLY B 157 -1.166 -0.573 3.862 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -3.262 0.996 3.055 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -1.863 2.025 2.824 1.00 1.82 H new ATOM 2005 N GLN B 158 -2.760 -0.064 0.780 1.00 1.33 N ATOM 2006 CA GLN B 158 -2.356 -0.846 -0.376 1.00 1.42 C ATOM 2007 C GLN B 158 -2.370 -0.041 -1.660 1.00 1.04 C ATOM 2008 O GLN B 158 -3.061 -0.361 -2.626 1.00 0.95 O ATOM 2009 CB GLN B 158 -3.337 -2.022 -0.505 1.00 1.93 C ATOM 2010 CG GLN B 158 -2.883 -3.122 -1.448 1.00 2.76 C ATOM 2011 CD GLN B 158 -3.975 -4.139 -1.726 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -4.536 -4.177 -2.821 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -4.287 -4.971 -0.735 1.00 4.34 N ATOM 0 H GLN B 158 -3.739 0.218 0.821 1.00 1.33 H new ATOM 0 HA GLN B 158 -1.330 -1.183 -0.226 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -3.500 -2.453 0.483 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -4.298 -1.640 -0.849 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -2.557 -2.678 -2.389 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -2.019 -3.630 -1.019 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -3.798 -4.907 0.158 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -5.015 -5.673 -0.868 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.496 0.942 -1.677 1.00 1.15 N ATOM 2023 CA LYS B 159 -1.167 1.726 -2.850 1.00 1.13 C ATOM 2024 C LYS B 159 0.313 1.551 -3.200 1.00 0.95 C ATOM 2025 O LYS B 159 1.017 2.565 -3.176 1.00 0.91 O ATOM 2026 CB LYS B 159 -1.587 3.167 -2.711 1.00 1.54 C ATOM 2027 CG LYS B 159 -2.043 3.778 -4.029 1.00 1.91 C ATOM 2028 CD LYS B 159 -3.284 3.084 -4.584 1.00 2.18 C ATOM 2029 CE LYS B 159 -4.556 3.636 -3.962 1.00 2.81 C ATOM 2030 NZ LYS B 159 -5.252 2.621 -3.126 1.00 3.54 N ATOM 0 H LYS B 159 -0.977 1.228 -0.847 1.00 1.15 H new ATOM 0 HA LYS B 159 -1.745 1.349 -3.694 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -2.396 3.236 -1.984 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -0.753 3.747 -2.316 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -2.255 4.837 -3.883 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -1.235 3.712 -4.758 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -3.321 3.213 -5.666 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -3.219 2.013 -4.393 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -4.313 4.505 -3.350 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -5.226 3.978 -4.750 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -6.114 3.038 -2.720 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -5.507 1.802 -3.714 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -4.622 2.313 -2.358 1.00 3.54 H new ATOM 2044 N PRO B 160 0.866 0.345 -3.373 1.00 1.05 N ATOM 2045 CA PRO B 160 2.312 0.207 -3.573 1.00 1.14 C ATOM 2046 C PRO B 160 2.815 0.729 -4.908 1.00 1.10 C ATOM 2047 O PRO B 160 3.025 -0.019 -5.864 1.00 1.23 O ATOM 2048 CB PRO B 160 2.566 -1.290 -3.429 1.00 1.46 C ATOM 2049 CG PRO B 160 1.252 -1.925 -3.734 1.00 1.51 C ATOM 2050 CD PRO B 160 0.192 -0.952 -3.277 1.00 1.27 C ATOM 0 HA PRO B 160 2.857 0.814 -2.850 1.00 1.14 H new ATOM 0 HB2 PRO B 160 3.340 -1.629 -4.118 1.00 1.46 H new ATOM 0 HB3 PRO B 160 2.903 -1.540 -2.423 1.00 1.46 H new ATOM 0 HG2 PRO B 160 1.158 -2.129 -4.801 1.00 1.51 H new ATOM 0 HG3 PRO B 160 1.152 -2.879 -3.217 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -0.694 -0.994 -3.911 1.00 1.27 H new ATOM 0 HD3 PRO B 160 -0.135 -1.162 -2.259 1.00 1.27 H new ATOM 2058 N CYS B 161 3.042 2.026 -4.920 1.00 1.09 N ATOM 2059 CA CYS B 161 3.565 2.752 -6.065 1.00 1.15 C ATOM 2060 C CYS B 161 5.068 2.907 -5.870 1.00 1.37 C ATOM 2061 O CYS B 161 5.603 2.451 -4.858 1.00 1.58 O ATOM 2062 CB CYS B 161 2.843 4.080 -6.317 1.00 1.32 C ATOM 2063 SG CYS B 161 2.187 4.864 -4.828 1.00 1.58 S ATOM 0 H CYS B 161 2.864 2.623 -4.113 1.00 1.09 H new ATOM 0 HA CYS B 161 3.377 2.184 -6.976 1.00 1.15 H new ATOM 0 HB2 CYS B 161 3.534 4.769 -6.802 1.00 1.32 H new ATOM 0 HB3 CYS B 161 2.023 3.908 -7.014 1.00 1.32 H new ATOM 2068 N GLY B 162 5.715 3.690 -6.697 1.00 1.57 N ATOM 2069 CA GLY B 162 7.107 3.972 -6.468 1.00 1.88 C ATOM 2070 C GLY B 162 7.997 2.745 -6.367 1.00 2.05 C ATOM 2071 O GLY B 162 7.624 1.624 -6.707 1.00 2.37 O ATOM 0 H GLY B 162 5.308 4.135 -7.520 1.00 1.57 H new ATOM 0 HA2 GLY B 162 7.473 4.604 -7.277 1.00 1.88 H new ATOM 0 HA3 GLY B 162 7.200 4.548 -5.547 1.00 1.88 H new ATOM 2075 N SER B 163 9.189 3.027 -5.905 1.00 2.40 N ATOM 2076 CA SER B 163 10.286 2.089 -5.697 1.00 2.93 C ATOM 2077 C SER B 163 10.194 1.410 -4.340 1.00 2.71 C ATOM 2078 O SER B 163 11.181 1.197 -3.636 1.00 3.29 O ATOM 2079 CB SER B 163 11.628 2.810 -5.802 1.00 3.81 C ATOM 2080 OG SER B 163 11.715 3.841 -4.835 1.00 4.07 O ATOM 0 H SER B 163 9.445 3.979 -5.644 1.00 2.40 H new ATOM 0 HA SER B 163 10.211 1.327 -6.473 1.00 2.93 H new ATOM 0 HB2 SER B 163 12.442 2.099 -5.658 1.00 3.81 H new ATOM 0 HB3 SER B 163 11.745 3.230 -6.801 1.00 3.81 H new ATOM 0 HG SER B 163 12.581 4.292 -4.915 1.00 4.07 H new ATOM 2086 N GLY B 164 8.958 0.947 -4.069 1.00 2.12 N ATOM 2087 CA GLY B 164 8.660 0.133 -2.887 1.00 2.11 C ATOM 2088 C GLY B 164 7.666 0.727 -1.902 1.00 1.92 C ATOM 2089 O GLY B 164 7.491 0.188 -0.807 1.00 2.20 O ATOM 0 H GLY B 164 8.148 1.128 -4.662 1.00 2.12 H new ATOM 0 HA2 GLY B 164 8.278 -0.831 -3.222 1.00 2.11 H new ATOM 0 HA3 GLY B 164 9.594 -0.060 -2.359 1.00 2.11 H new ATOM 2093 N GLY B 165 7.077 1.873 -2.242 1.00 1.61 N ATOM 2094 CA GLY B 165 6.181 2.509 -1.292 1.00 1.60 C ATOM 2095 C GLY B 165 4.688 2.385 -1.558 1.00 1.42 C ATOM 2096 O GLY B 165 4.215 2.552 -2.683 1.00 1.62 O ATOM 0 H GLY B 165 7.199 2.359 -3.130 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.384 2.094 -0.305 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.430 3.569 -1.249 1.00 1.60 H new ATOM 2100 N ARG B 166 3.959 2.136 -0.464 1.00 1.16 N ATOM 2101 CA ARG B 166 2.508 2.042 -0.478 1.00 1.03 C ATOM 2102 C ARG B 166 1.921 3.283 0.205 1.00 0.95 C ATOM 2103 O ARG B 166 2.598 3.914 1.017 1.00 1.04 O ATOM 2104 CB ARG B 166 1.997 0.758 0.183 1.00 1.08 C ATOM 2105 CG ARG B 166 2.900 0.214 1.281 1.00 1.23 C ATOM 2106 CD ARG B 166 4.016 -0.656 0.717 1.00 1.39 C ATOM 2107 NE ARG B 166 3.509 -1.911 0.160 1.00 1.79 N ATOM 2108 CZ ARG B 166 4.232 -2.736 -0.601 1.00 2.31 C ATOM 2109 NH1 ARG B 166 5.490 -2.443 -0.908 1.00 2.54 N ATOM 2110 NH2 ARG B 166 3.693 -3.860 -1.056 1.00 3.05 N ATOM 0 H ARG B 166 4.369 1.994 0.459 1.00 1.16 H new ATOM 0 HA ARG B 166 2.178 2.000 -1.516 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.009 0.948 0.603 1.00 1.08 H new ATOM 0 HB3 ARG B 166 1.876 -0.007 -0.583 1.00 1.08 H new ATOM 0 HG2 ARG B 166 3.333 1.044 1.840 1.00 1.23 H new ATOM 0 HG3 ARG B 166 2.306 -0.368 1.985 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.548 -0.105 -0.058 1.00 1.39 H new ATOM 0 HD3 ARG B 166 4.737 -0.875 1.504 1.00 1.39 H new ATOM 0 HE ARG B 166 2.544 -2.171 0.366 1.00 1.79 H new ATOM 0 HH11 ARG B 166 5.912 -1.581 -0.562 1.00 2.54 H new ATOM 0 HH12 ARG B 166 6.034 -3.080 -1.490 1.00 2.54 H new ATOM 0 HH21 ARG B 166 2.727 -4.093 -0.824 1.00 3.05 H new ATOM 0 HH22 ARG B 166 4.244 -4.491 -1.638 1.00 3.05 H new ATOM 2124 N CYS B 167 0.693 3.676 -0.145 1.00 0.87 N ATOM 2125 CA CYS B 167 0.107 4.860 0.423 1.00 0.88 C ATOM 2126 C CYS B 167 0.002 4.758 1.941 1.00 0.88 C ATOM 2127 O CYS B 167 -0.867 4.060 2.464 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.290 5.095 -0.173 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.314 6.101 -1.695 1.00 1.56 S ATOM 0 H CYS B 167 0.101 3.185 -0.815 1.00 0.87 H new ATOM 0 HA CYS B 167 0.757 5.701 0.181 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.746 4.128 -0.386 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -1.912 5.582 0.578 1.00 0.94 H new ATOM 2134 N ALA B 168 0.846 5.507 2.647 1.00 0.90 N ATOM 2135 CA ALA B 168 0.791 5.527 4.103 1.00 0.95 C ATOM 2136 C ALA B 168 -0.311 6.485 4.540 1.00 0.96 C ATOM 2137 O ALA B 168 -0.833 6.392 5.652 1.00 1.04 O ATOM 2138 CB ALA B 168 2.131 5.931 4.709 1.00 0.96 C ATOM 0 H ALA B 168 1.568 6.101 2.239 1.00 0.90 H new ATOM 0 HA ALA B 168 0.570 4.522 4.463 1.00 0.95 H new ATOM 0 HB1 ALA B 168 2.052 5.935 5.796 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.898 5.219 4.403 1.00 0.96 H new ATOM 0 HB3 ALA B 168 2.402 6.928 4.361 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.616 7.440 3.658 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.634 8.450 3.953 1.00 0.94 C ATOM 2146 C ALA B 169 -2.111 9.178 2.718 1.00 0.91 C ATOM 2147 O ALA B 169 -1.483 9.121 1.665 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.143 9.426 4.987 1.00 0.98 C ATOM 0 H ALA B 169 -0.177 7.535 2.742 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.493 7.914 4.356 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -1.919 10.165 5.187 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -0.904 8.892 5.907 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.249 9.929 4.617 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.243 9.854 2.854 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.812 10.601 1.741 1.00 1.00 C ATOM 2156 C ALA B 170 -2.706 11.322 0.972 1.00 1.04 C ATOM 2157 O ALA B 170 -2.275 12.412 1.345 1.00 1.25 O ATOM 2158 CB ALA B 170 -4.857 11.597 2.221 1.00 1.15 C ATOM 0 H ALA B 170 -3.783 9.901 3.718 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.306 9.893 1.076 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.263 12.139 1.367 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.661 11.064 2.728 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.397 12.303 2.913 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.274 10.712 -0.112 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.247 11.295 -0.941 1.00 1.28 C ATOM 2166 C GLY B 171 0.181 10.957 -0.550 1.00 1.22 C ATOM 2167 O GLY B 171 1.094 11.716 -0.864 1.00 1.29 O ATOM 0 H GLY B 171 -2.621 9.810 -0.438 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.409 10.973 -1.970 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.363 12.379 -0.924 1.00 1.28 H new ATOM 2171 N ILE B 172 0.367 9.872 0.198 1.00 1.13 N ATOM 2172 CA ILE B 172 1.724 9.476 0.625 1.00 1.09 C ATOM 2173 C ILE B 172 2.069 8.097 0.114 1.00 1.02 C ATOM 2174 O ILE B 172 1.687 7.094 0.708 1.00 1.34 O ATOM 2175 CB ILE B 172 1.977 9.458 2.154 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.985 10.319 2.900 1.00 1.09 C ATOM 2177 CG2 ILE B 172 3.389 9.945 2.434 1.00 2.27 C ATOM 2178 CD1 ILE B 172 0.800 11.635 2.237 1.00 0.91 C ATOM 0 H ILE B 172 -0.381 9.257 0.520 1.00 1.13 H new ATOM 0 HA ILE B 172 2.352 10.258 0.197 1.00 1.09 H new ATOM 0 HB ILE B 172 1.853 8.433 2.504 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.027 9.803 2.960 1.00 1.09 H new ATOM 0 HG13 ILE B 172 1.330 10.471 3.923 1.00 1.09 H new ATOM 0 HG21 ILE B 172 3.571 9.934 3.509 1.00 2.27 H new ATOM 0 HG22 ILE B 172 4.105 9.290 1.938 1.00 2.27 H new ATOM 0 HG23 ILE B 172 3.505 10.961 2.057 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.080 12.228 2.801 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.754 12.161 2.200 1.00 0.91 H new ATOM 0 HD13 ILE B 172 0.430 11.483 1.223 1.00 0.91 H new ATOM 2190 N CYS B 173 2.812 8.054 -0.966 1.00 0.81 N ATOM 2191 CA CYS B 173 3.238 6.801 -1.541 1.00 1.04 C ATOM 2192 C CYS B 173 4.582 6.422 -0.953 1.00 1.06 C ATOM 2193 O CYS B 173 5.613 6.924 -1.403 1.00 1.19 O ATOM 2194 CB CYS B 173 3.359 6.963 -3.044 1.00 1.17 C ATOM 2195 SG CYS B 173 3.882 5.456 -3.898 1.00 1.94 S ATOM 0 H CYS B 173 3.136 8.881 -1.468 1.00 0.81 H new ATOM 0 HA CYS B 173 2.513 6.018 -1.320 1.00 1.04 H new ATOM 0 HB2 CYS B 173 2.397 7.282 -3.445 1.00 1.17 H new ATOM 0 HB3 CYS B 173 4.073 7.758 -3.259 1.00 1.17 H new ATOM 2200 N CYS B 174 4.593 5.577 0.082 1.00 0.97 N ATOM 2201 CA CYS B 174 5.869 5.262 0.700 1.00 0.99 C ATOM 2202 C CYS B 174 5.883 4.087 1.675 1.00 1.16 C ATOM 2203 O CYS B 174 4.911 3.347 1.832 1.00 1.35 O ATOM 2204 CB CYS B 174 6.344 6.503 1.422 1.00 1.12 C ATOM 2205 SG CYS B 174 5.174 7.188 2.647 1.00 1.26 S ATOM 0 H CYS B 174 3.775 5.123 0.488 1.00 0.97 H new ATOM 0 HA CYS B 174 6.523 4.946 -0.113 1.00 0.99 H new ATOM 0 HB2 CYS B 174 7.281 6.273 1.928 1.00 1.12 H new ATOM 0 HB3 CYS B 174 6.562 7.273 0.682 1.00 1.12 H new ATOM 2210 N SER B 175 7.041 3.969 2.334 1.00 1.15 N ATOM 2211 CA SER B 175 7.331 2.943 3.328 1.00 1.38 C ATOM 2212 C SER B 175 7.763 3.631 4.626 1.00 1.29 C ATOM 2213 O SER B 175 7.779 4.859 4.687 1.00 1.12 O ATOM 2214 CB SER B 175 8.440 2.025 2.799 1.00 1.48 C ATOM 2215 OG SER B 175 7.996 1.282 1.677 1.00 2.00 O ATOM 0 H SER B 175 7.822 4.607 2.182 1.00 1.15 H new ATOM 0 HA SER B 175 6.448 2.335 3.524 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.309 2.622 2.523 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.759 1.343 3.587 1.00 1.48 H new ATOM 0 HG SER B 175 8.722 0.706 1.358 1.00 2.00 H new ATOM 2221 N PRO B 176 8.108 2.882 5.690 1.00 1.49 N ATOM 2222 CA PRO B 176 8.514 3.490 6.963 1.00 1.45 C ATOM 2223 C PRO B 176 9.913 4.114 6.912 1.00 1.20 C ATOM 2224 O PRO B 176 10.617 4.156 7.922 1.00 1.25 O ATOM 2225 CB PRO B 176 8.496 2.314 7.941 1.00 1.77 C ATOM 2226 CG PRO B 176 8.735 1.113 7.097 1.00 1.90 C ATOM 2227 CD PRO B 176 8.109 1.405 5.760 1.00 1.81 C ATOM 0 HA PRO B 176 7.853 4.311 7.239 1.00 1.45 H new ATOM 0 HB2 PRO B 176 9.268 2.422 8.703 1.00 1.77 H new ATOM 0 HB3 PRO B 176 7.541 2.248 8.462 1.00 1.77 H new ATOM 0 HG2 PRO B 176 9.802 0.918 6.992 1.00 1.90 H new ATOM 0 HG3 PRO B 176 8.291 0.226 7.549 1.00 1.90 H new ATOM 0 HD2 PRO B 176 8.683 0.966 4.944 1.00 1.81 H new ATOM 0 HD3 PRO B 176 7.099 1.000 5.693 1.00 1.81 H new ATOM 2235 N ASP B 177 10.303 4.612 5.736 1.00 1.01 N ATOM 2236 CA ASP B 177 11.605 5.255 5.560 1.00 0.92 C ATOM 2237 C ASP B 177 11.450 6.560 4.777 1.00 0.83 C ATOM 2238 O ASP B 177 11.759 7.643 5.282 1.00 0.90 O ATOM 2239 CB ASP B 177 12.565 4.317 4.825 1.00 1.18 C ATOM 2240 CG ASP B 177 14.015 4.647 5.115 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.394 4.650 6.304 1.00 2.72 O ATOM 2242 OD2 ASP B 177 14.769 4.902 4.153 1.00 2.51 O ATOM 0 H ASP B 177 9.733 4.581 4.890 1.00 1.01 H new ATOM 0 HA ASP B 177 12.016 5.480 6.544 1.00 0.92 H new ATOM 0 HB2 ASP B 177 12.362 3.287 5.119 1.00 1.18 H new ATOM 0 HB3 ASP B 177 12.386 4.383 3.752 1.00 1.18 H new ATOM 2247 N GLY B 178 10.952 6.446 3.548 1.00 0.89 N ATOM 2248 CA GLY B 178 10.733 7.611 2.723 1.00 0.87 C ATOM 2249 C GLY B 178 9.274 7.780 2.373 1.00 0.85 C ATOM 2250 O GLY B 178 8.452 6.978 2.802 1.00 0.99 O ATOM 0 H GLY B 178 10.697 5.560 3.112 1.00 0.89 H new ATOM 0 HA2 GLY B 178 11.087 8.499 3.246 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.319 7.525 1.808 1.00 0.87 H new ATOM 2254 N CYS B 179 8.952 8.812 1.584 1.00 0.78 N ATOM 2255 CA CYS B 179 7.569 9.054 1.178 1.00 0.79 C ATOM 2256 C CYS B 179 7.473 9.774 -0.165 1.00 0.77 C ATOM 2257 O CYS B 179 8.445 10.364 -0.628 1.00 0.88 O ATOM 2258 CB CYS B 179 6.790 9.780 2.267 1.00 0.92 C ATOM 2259 SG CYS B 179 6.213 8.667 3.598 1.00 1.34 S ATOM 0 H CYS B 179 9.626 9.485 1.219 1.00 0.78 H new ATOM 0 HA CYS B 179 7.105 8.078 1.037 1.00 0.79 H new ATOM 0 HB2 CYS B 179 7.420 10.558 2.699 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.930 10.278 1.820 1.00 0.92 H new ATOM 2264 N HIS B 180 6.303 9.713 -0.819 1.00 0.70 N ATOM 2265 CA HIS B 180 6.149 10.352 -2.126 1.00 0.75 C ATOM 2266 C HIS B 180 4.770 10.962 -2.295 1.00 0.69 C ATOM 2267 O HIS B 180 3.761 10.365 -1.925 1.00 0.66 O ATOM 2268 CB HIS B 180 6.371 9.326 -3.244 1.00 0.89 C ATOM 2269 CG HIS B 180 7.776 9.264 -3.756 1.00 0.94 C ATOM 2270 ND1 HIS B 180 8.799 8.649 -3.072 1.00 1.60 N ATOM 2271 CD2 HIS B 180 8.319 9.729 -4.903 1.00 1.70 C ATOM 2272 CE1 HIS B 180 9.911 8.736 -3.777 1.00 2.03 C ATOM 2273 NE2 HIS B 180 9.645 9.386 -4.892 1.00 2.10 N ATOM 0 H HIS B 180 5.470 9.238 -0.471 1.00 0.70 H new ATOM 0 HA HIS B 180 6.893 11.147 -2.186 1.00 0.75 H new ATOM 0 HB2 HIS B 180 6.087 8.340 -2.877 1.00 0.89 H new ATOM 0 HB3 HIS B 180 5.705 9.561 -4.074 1.00 0.89 H new ATOM 0 HD2 HIS B 180 7.804 10.270 -5.683 1.00 1.70 H new ATOM 0 HE1 HIS B 180 10.874 8.342 -3.489 1.00 2.03 H new ATOM 0 HE2 HIS B 180 10.318 9.599 -5.628 1.00 2.10 H new ATOM 2282 N GLU B 181 4.735 12.144 -2.887 1.00 0.75 N ATOM 2283 CA GLU B 181 3.479 12.815 -3.146 1.00 0.77 C ATOM 2284 C GLU B 181 2.681 12.023 -4.143 1.00 0.73 C ATOM 2285 O GLU B 181 3.156 11.770 -5.249 1.00 0.94 O ATOM 2286 CB GLU B 181 3.728 14.192 -3.730 1.00 0.93 C ATOM 2287 CG GLU B 181 2.469 15.004 -3.942 1.00 1.69 C ATOM 2288 CD GLU B 181 2.693 16.179 -4.875 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.558 16.069 -5.771 1.00 3.06 O ATOM 2290 OE2 GLU B 181 2.005 17.208 -4.717 1.00 2.69 O ATOM 0 H GLU B 181 5.562 12.655 -3.196 1.00 0.75 H new ATOM 0 HA GLU B 181 2.937 12.904 -2.205 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.396 14.742 -3.067 1.00 0.93 H new ATOM 0 HB3 GLU B 181 4.244 14.084 -4.684 1.00 0.93 H new ATOM 0 HG2 GLU B 181 1.689 14.361 -4.351 1.00 1.69 H new ATOM 0 HG3 GLU B 181 2.109 15.370 -2.980 1.00 1.69 H new ATOM 2297 N ASP B 182 1.473 11.635 -3.784 1.00 0.77 N ATOM 2298 CA ASP B 182 0.670 10.879 -4.725 1.00 0.79 C ATOM 2299 C ASP B 182 -0.803 11.341 -4.705 1.00 0.97 C ATOM 2300 O ASP B 182 -1.538 11.072 -3.758 1.00 1.22 O ATOM 2301 CB ASP B 182 0.842 9.368 -4.445 1.00 0.90 C ATOM 2302 CG ASP B 182 -0.428 8.660 -4.007 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.698 8.635 -2.789 1.00 2.06 O ATOM 2304 OD2 ASP B 182 -1.141 8.116 -4.880 1.00 1.88 O ATOM 0 H ASP B 182 1.037 11.822 -2.881 1.00 0.77 H new ATOM 0 HA ASP B 182 1.018 11.067 -5.741 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.220 8.885 -5.346 1.00 0.90 H new ATOM 0 HB3 ASP B 182 1.600 9.239 -3.672 1.00 0.90 H new ATOM 2309 N PRO B 183 -1.248 12.071 -5.757 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.621 12.599 -5.845 1.00 1.41 C ATOM 2311 C PRO B 183 -3.708 11.525 -5.905 1.00 1.28 C ATOM 2312 O PRO B 183 -4.882 11.825 -5.682 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.623 13.421 -7.144 1.00 1.79 C ATOM 2314 CG PRO B 183 -1.188 13.651 -7.470 1.00 1.91 C ATOM 2315 CD PRO B 183 -0.445 12.462 -6.932 1.00 1.41 C ATOM 0 HA PRO B 183 -2.860 13.171 -4.948 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -3.127 12.884 -7.948 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -3.152 14.365 -7.011 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -1.043 13.747 -8.546 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.828 14.574 -7.016 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.385 11.658 -7.665 1.00 1.41 H new ATOM 0 HD3 PRO B 183 0.578 12.717 -6.655 1.00 1.41 H new ATOM 2323 N ALA B 184 -3.338 10.286 -6.216 1.00 1.13 N ATOM 2324 CA ALA B 184 -4.327 9.213 -6.290 1.00 1.18 C ATOM 2325 C ALA B 184 -4.970 8.987 -4.932 1.00 1.22 C ATOM 2326 O ALA B 184 -6.177 8.765 -4.827 1.00 1.56 O ATOM 2327 CB ALA B 184 -3.703 7.923 -6.794 1.00 1.21 C ATOM 0 H ALA B 184 -2.379 10.002 -6.418 1.00 1.13 H new ATOM 0 HA ALA B 184 -5.096 9.518 -6.999 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -4.464 7.144 -6.838 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -3.290 8.083 -7.790 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.907 7.615 -6.116 1.00 1.21 H new ATOM 2333 N CYS B 185 -4.150 9.051 -3.893 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.617 8.871 -2.527 1.00 1.23 C ATOM 2335 C CYS B 185 -4.936 10.228 -1.888 1.00 1.50 C ATOM 2336 O CYS B 185 -4.503 10.499 -0.783 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.540 8.160 -1.692 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.292 6.397 -2.073 1.00 1.46 S ATOM 0 H CYS B 185 -3.149 9.228 -3.972 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.522 8.264 -2.550 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.593 8.681 -1.832 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.802 8.253 -0.638 1.00 1.19 H new ATOM 2343 N ASP B 186 -5.660 11.102 -2.586 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.969 12.431 -2.030 1.00 1.92 C ATOM 2345 C ASP B 186 -7.100 12.369 -0.999 1.00 1.82 C ATOM 2346 O ASP B 186 -6.931 12.777 0.152 1.00 2.28 O ATOM 2347 CB ASP B 186 -6.366 13.412 -3.129 1.00 2.44 C ATOM 2348 CG ASP B 186 -5.581 14.712 -3.062 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -4.347 14.673 -3.260 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -6.201 15.766 -2.813 1.00 3.49 O ATOM 0 H ASP B 186 -6.039 10.926 -3.517 1.00 1.54 H new ATOM 0 HA ASP B 186 -5.059 12.777 -1.540 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -6.208 12.946 -4.102 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -7.431 13.630 -3.049 1.00 2.44 H new