USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot 180:sc= 0.94 USER MOD Set 1.2: B 163 SER OG : rot 62:sc= 0.812 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=-0.00386 USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.0253 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 17:sc= 0.419 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0414) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -8.56! C(o=-10!,f=-8.6!) 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=-0.00272 USER MOD Single : B 138 THR OG1 : rot 160:sc= -0.0214 USER MOD Single : B 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 156 SER OG : rot 20:sc= 0.377 USER MOD Single : B 158 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 159 LYS NZ :NH3+ 160:sc= -0.003 (180deg=-0.0371) USER MOD Single : B 175 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS :FLIP no HD1:sc= -8.64! C(o=-10!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 9.622 32.169 -0.637 1.00 2.54 N ATOM 146 CA CYS A 10 9.650 31.070 0.318 1.00 1.93 C ATOM 147 C CYS A 10 8.266 30.720 0.856 1.00 1.72 C ATOM 148 O CYS A 10 7.987 30.911 2.040 1.00 1.97 O ATOM 149 CB CYS A 10 10.651 31.358 1.432 1.00 2.28 C ATOM 150 SG CYS A 10 12.363 31.582 0.823 1.00 2.68 S ATOM 0 HA CYS A 10 9.986 30.180 -0.214 1.00 1.93 H new ATOM 0 HB2 CYS A 10 10.342 32.256 1.966 1.00 2.28 H new ATOM 0 HB3 CYS A 10 10.632 30.538 2.150 1.00 2.28 H new ATOM 0 HG CYS A 10 13.152 31.825 1.827 1.00 2.68 H new ATOM 155 N LEU A 11 7.402 30.200 -0.040 1.00 1.49 N ATOM 156 CA LEU A 11 6.019 29.785 0.300 1.00 1.39 C ATOM 157 C LEU A 11 5.919 29.180 1.710 1.00 1.20 C ATOM 158 O LEU A 11 6.391 28.060 1.939 1.00 1.16 O ATOM 159 CB LEU A 11 5.474 28.770 -0.720 1.00 1.55 C ATOM 160 CG LEU A 11 6.168 28.741 -2.086 1.00 1.91 C ATOM 161 CD1 LEU A 11 7.467 27.955 -2.004 1.00 2.48 C ATOM 162 CD2 LEU A 11 5.246 28.143 -3.139 1.00 2.29 C ATOM 0 H LEU A 11 7.641 30.055 -1.021 1.00 1.49 H new ATOM 0 HA LEU A 11 5.417 30.693 0.271 1.00 1.39 H new ATOM 0 HB2 LEU A 11 5.541 27.774 -0.281 1.00 1.55 H new ATOM 0 HB3 LEU A 11 4.416 28.978 -0.878 1.00 1.55 H new ATOM 0 HG LEU A 11 6.403 29.765 -2.377 1.00 1.91 H new ATOM 0 HD11 LEU A 11 7.948 27.944 -2.982 1.00 2.48 H new ATOM 0 HD12 LEU A 11 8.131 28.425 -1.279 1.00 2.48 H new ATOM 0 HD13 LEU A 11 7.254 26.932 -1.692 1.00 2.48 H new ATOM 0 HD21 LEU A 11 5.755 28.130 -4.103 1.00 2.29 H new ATOM 0 HD22 LEU A 11 4.981 27.125 -2.855 1.00 2.29 H new ATOM 0 HD23 LEU A 11 4.341 28.746 -3.215 1.00 2.29 H new ATOM 174 N PRO A 12 5.302 29.910 2.666 1.00 1.19 N ATOM 175 CA PRO A 12 5.157 29.451 4.054 1.00 1.11 C ATOM 176 C PRO A 12 3.877 28.656 4.317 1.00 1.01 C ATOM 177 O PRO A 12 2.821 29.029 3.807 1.00 1.05 O ATOM 178 CB PRO A 12 5.056 30.784 4.796 1.00 1.29 C ATOM 179 CG PRO A 12 4.297 31.667 3.871 1.00 1.49 C ATOM 180 CD PRO A 12 4.708 31.261 2.482 1.00 1.39 C ATOM 0 HA PRO A 12 5.967 28.782 4.344 1.00 1.11 H new ATOM 0 HB2 PRO A 12 4.540 30.670 5.749 1.00 1.29 H new ATOM 0 HB3 PRO A 12 6.043 31.192 5.015 1.00 1.29 H new ATOM 0 HG2 PRO A 12 3.223 31.548 4.011 1.00 1.49 H new ATOM 0 HG3 PRO A 12 4.528 32.716 4.055 1.00 1.49 H new ATOM 0 HD2 PRO A 12 3.854 31.233 1.805 1.00 1.39 H new ATOM 0 HD3 PRO A 12 5.429 31.960 2.058 1.00 1.39 H new ATOM 188 N CYS A 13 3.945 27.561 5.105 1.00 0.93 N ATOM 189 CA CYS A 13 2.751 26.770 5.412 1.00 0.89 C ATOM 190 C CYS A 13 2.993 26.132 6.790 1.00 0.90 C ATOM 191 O CYS A 13 4.113 26.226 7.301 1.00 1.00 O ATOM 192 CB CYS A 13 2.464 25.703 4.294 1.00 0.82 C ATOM 193 SG CYS A 13 3.107 23.989 4.577 1.00 0.86 S ATOM 0 H CYS A 13 4.805 27.215 5.531 1.00 0.93 H new ATOM 0 HA CYS A 13 1.859 27.395 5.440 1.00 0.89 H new ATOM 0 HB2 CYS A 13 1.385 25.641 4.155 1.00 0.82 H new ATOM 0 HB3 CYS A 13 2.885 26.072 3.359 1.00 0.82 H new ATOM 198 N GLY A 14 2.011 25.466 7.387 1.00 0.91 N ATOM 199 CA GLY A 14 2.245 24.818 8.688 1.00 0.98 C ATOM 200 C GLY A 14 2.389 25.791 9.865 1.00 1.10 C ATOM 201 O GLY A 14 2.025 26.960 9.745 1.00 1.15 O ATOM 0 H GLY A 14 1.069 25.357 7.011 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.419 24.137 8.895 1.00 0.98 H new ATOM 0 HA3 GLY A 14 3.149 24.212 8.621 1.00 0.98 H new ATOM 205 N PRO A 15 2.944 25.332 11.029 1.00 1.19 N ATOM 206 CA PRO A 15 3.164 26.164 12.239 1.00 1.33 C ATOM 207 C PRO A 15 4.261 27.215 12.059 1.00 1.40 C ATOM 208 O PRO A 15 5.351 26.958 11.549 1.00 1.57 O ATOM 209 CB PRO A 15 3.564 25.135 13.276 1.00 1.46 C ATOM 210 CG PRO A 15 4.402 24.316 12.431 1.00 1.39 C ATOM 211 CD PRO A 15 3.492 23.987 11.278 1.00 1.21 C ATOM 0 HA PRO A 15 2.282 26.749 12.501 1.00 1.33 H new ATOM 0 HB2 PRO A 15 4.103 25.567 14.119 1.00 1.46 H new ATOM 0 HB3 PRO A 15 2.713 24.591 13.687 1.00 1.46 H new ATOM 0 HG2 PRO A 15 5.293 24.852 12.103 1.00 1.39 H new ATOM 0 HG3 PRO A 15 4.742 23.418 12.947 1.00 1.39 H new ATOM 0 HD2 PRO A 15 4.029 23.585 10.419 1.00 1.21 H new ATOM 0 HD3 PRO A 15 2.723 23.261 11.542 1.00 1.21 H new ATOM 219 N GLY A 16 3.885 28.386 12.429 1.00 1.34 N ATOM 220 CA GLY A 16 4.681 29.606 12.311 1.00 1.47 C ATOM 221 C GLY A 16 4.797 29.995 10.859 1.00 1.43 C ATOM 222 O GLY A 16 5.122 31.133 10.512 1.00 1.68 O ATOM 0 H GLY A 16 2.970 28.553 12.847 1.00 1.34 H new ATOM 0 HA2 GLY A 16 4.216 30.412 12.878 1.00 1.47 H new ATOM 0 HA3 GLY A 16 5.672 29.448 12.736 1.00 1.47 H new ATOM 226 N GLY A 17 4.485 29.022 10.022 1.00 1.28 N ATOM 227 CA GLY A 17 4.501 29.211 8.647 1.00 1.25 C ATOM 228 C GLY A 17 5.878 29.195 8.051 1.00 1.24 C ATOM 229 O GLY A 17 6.086 29.521 6.896 1.00 1.36 O ATOM 0 H GLY A 17 4.216 28.083 10.315 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.902 28.432 8.175 1.00 1.25 H new ATOM 0 HA3 GLY A 17 4.025 30.164 8.415 1.00 1.25 H new ATOM 233 N LYS A 18 6.817 28.664 8.840 1.00 1.18 N ATOM 234 CA LYS A 18 8.190 28.444 8.388 1.00 1.23 C ATOM 235 C LYS A 18 8.186 27.228 7.438 1.00 1.13 C ATOM 236 O LYS A 18 9.235 26.759 6.987 1.00 1.22 O ATOM 237 CB LYS A 18 9.151 28.167 9.567 1.00 1.28 C ATOM 238 CG LYS A 18 8.575 28.404 10.965 1.00 1.34 C ATOM 239 CD LYS A 18 9.464 29.294 11.805 1.00 1.73 C ATOM 240 CE LYS A 18 9.379 28.916 13.276 1.00 1.91 C ATOM 241 NZ LYS A 18 10.445 29.566 14.086 1.00 2.50 N ATOM 0 H LYS A 18 6.646 28.377 9.804 1.00 1.18 H new ATOM 0 HA LYS A 18 8.543 29.344 7.885 1.00 1.23 H new ATOM 0 HB2 LYS A 18 9.485 27.132 9.503 1.00 1.28 H new ATOM 0 HB3 LYS A 18 10.034 28.795 9.447 1.00 1.28 H new ATOM 0 HG2 LYS A 18 7.588 28.858 10.877 1.00 1.34 H new ATOM 0 HG3 LYS A 18 8.442 27.447 11.469 1.00 1.34 H new ATOM 0 HD2 LYS A 18 10.496 29.210 11.463 1.00 1.73 H new ATOM 0 HD3 LYS A 18 9.169 30.335 11.676 1.00 1.73 H new ATOM 0 HE2 LYS A 18 8.403 29.202 13.667 1.00 1.91 H new ATOM 0 HE3 LYS A 18 9.458 27.834 13.376 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 10.348 29.280 15.081 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 11.378 29.274 13.731 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 10.355 30.600 14.013 1.00 2.50 H new ATOM 255 N GLY A 19 6.955 26.765 7.135 1.00 1.02 N ATOM 256 CA GLY A 19 6.730 25.648 6.241 1.00 0.95 C ATOM 257 C GLY A 19 7.050 26.133 4.873 1.00 0.91 C ATOM 258 O GLY A 19 6.756 27.281 4.570 1.00 1.00 O ATOM 0 H GLY A 19 6.098 27.168 7.513 1.00 1.02 H new ATOM 0 HA2 GLY A 19 7.362 24.802 6.511 1.00 0.95 H new ATOM 0 HA3 GLY A 19 5.697 25.306 6.300 1.00 0.95 H new ATOM 262 N ARG A 20 7.396 25.266 3.969 1.00 0.86 N ATOM 263 CA ARG A 20 7.600 25.695 2.601 1.00 0.86 C ATOM 264 C ARG A 20 7.223 24.582 1.683 1.00 0.80 C ATOM 265 O ARG A 20 7.564 23.430 1.916 1.00 0.78 O ATOM 266 CB ARG A 20 9.039 26.189 2.379 1.00 0.94 C ATOM 267 CG ARG A 20 9.124 27.710 2.279 1.00 1.13 C ATOM 268 CD ARG A 20 9.465 28.348 3.621 1.00 1.55 C ATOM 269 NE ARG A 20 10.772 29.010 3.611 1.00 1.82 N ATOM 270 CZ ARG A 20 11.084 30.059 4.378 1.00 2.25 C ATOM 271 NH1 ARG A 20 10.183 30.594 5.194 1.00 2.59 N ATOM 272 NH2 ARG A 20 12.304 30.578 4.323 1.00 2.92 N ATOM 0 H ARG A 20 7.543 24.271 4.140 1.00 0.86 H new ATOM 0 HA ARG A 20 6.958 26.549 2.382 1.00 0.86 H new ATOM 0 HB2 ARG A 20 9.669 25.846 3.200 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.436 25.745 1.466 1.00 0.94 H new ATOM 0 HG2 ARG A 20 9.880 27.984 1.544 1.00 1.13 H new ATOM 0 HG3 ARG A 20 8.173 28.104 1.920 1.00 1.13 H new ATOM 0 HD2 ARG A 20 8.695 29.075 3.880 1.00 1.55 H new ATOM 0 HD3 ARG A 20 9.455 27.582 4.397 1.00 1.55 H new ATOM 0 HE ARG A 20 11.487 28.648 2.980 1.00 1.82 H new ATOM 0 HH11 ARG A 20 9.241 30.204 5.240 1.00 2.59 H new ATOM 0 HH12 ARG A 20 10.433 31.395 5.775 1.00 2.59 H new ATOM 0 HH21 ARG A 20 13.001 30.176 3.696 1.00 2.92 H new ATOM 0 HH22 ARG A 20 12.544 31.379 4.907 1.00 2.92 H new ATOM 286 N CYS A 21 6.451 24.924 0.674 1.00 0.82 N ATOM 287 CA CYS A 21 5.944 23.912 -0.237 1.00 0.81 C ATOM 288 C CYS A 21 6.681 23.905 -1.565 1.00 0.84 C ATOM 289 O CYS A 21 6.815 24.928 -2.236 1.00 1.04 O ATOM 290 CB CYS A 21 4.444 24.147 -0.469 1.00 0.91 C ATOM 291 SG CYS A 21 3.445 22.626 -0.617 1.00 1.10 S ATOM 0 H CYS A 21 6.162 25.879 0.463 1.00 0.82 H new ATOM 0 HA CYS A 21 6.108 22.937 0.223 1.00 0.81 H new ATOM 0 HB2 CYS A 21 4.052 24.743 0.355 1.00 0.91 H new ATOM 0 HB3 CYS A 21 4.319 24.737 -1.377 1.00 0.91 H new ATOM 296 N PHE A 22 7.140 22.710 -1.931 1.00 0.76 N ATOM 297 CA PHE A 22 7.853 22.491 -3.179 1.00 0.83 C ATOM 298 C PHE A 22 6.900 21.873 -4.197 1.00 0.94 C ATOM 299 O PHE A 22 6.840 22.295 -5.352 1.00 1.43 O ATOM 300 CB PHE A 22 9.052 21.557 -2.955 1.00 0.85 C ATOM 301 CG PHE A 22 10.062 22.062 -1.954 1.00 0.84 C ATOM 302 CD1 PHE A 22 9.723 22.210 -0.617 1.00 1.42 C ATOM 303 CD2 PHE A 22 11.354 22.380 -2.350 1.00 1.40 C ATOM 304 CE1 PHE A 22 10.652 22.668 0.301 1.00 1.50 C ATOM 305 CE2 PHE A 22 12.283 22.838 -1.438 1.00 1.51 C ATOM 306 CZ PHE A 22 11.933 22.983 -0.111 1.00 1.14 C ATOM 0 H PHE A 22 7.026 21.868 -1.367 1.00 0.76 H new ATOM 0 HA PHE A 22 8.224 23.446 -3.552 1.00 0.83 H new ATOM 0 HB2 PHE A 22 8.683 20.587 -2.622 1.00 0.85 H new ATOM 0 HB3 PHE A 22 9.554 21.396 -3.909 1.00 0.85 H new ATOM 0 HD1 PHE A 22 8.724 21.965 -0.289 1.00 1.42 H new ATOM 0 HD2 PHE A 22 11.636 22.267 -3.386 1.00 1.40 H new ATOM 0 HE1 PHE A 22 10.376 22.779 1.339 1.00 1.50 H new ATOM 0 HE2 PHE A 22 13.284 23.083 -1.763 1.00 1.51 H new ATOM 0 HZ PHE A 22 12.659 23.342 0.604 1.00 1.14 H new ATOM 316 N GLY A 23 6.143 20.876 -3.740 1.00 0.83 N ATOM 317 CA GLY A 23 5.180 20.203 -4.593 1.00 0.88 C ATOM 318 C GLY A 23 3.767 20.283 -4.028 1.00 0.88 C ATOM 319 O GLY A 23 3.324 21.362 -3.636 1.00 0.90 O ATOM 0 H GLY A 23 6.182 20.521 -2.785 1.00 0.83 H new ATOM 0 HA2 GLY A 23 5.200 20.651 -5.586 1.00 0.88 H new ATOM 0 HA3 GLY A 23 5.466 19.158 -4.709 1.00 0.88 H new ATOM 323 N PRO A 24 3.022 19.156 -3.969 1.00 1.01 N ATOM 324 CA PRO A 24 1.666 19.129 -3.450 1.00 1.07 C ATOM 325 C PRO A 24 1.621 18.660 -1.994 1.00 0.96 C ATOM 326 O PRO A 24 1.414 19.462 -1.083 1.00 1.03 O ATOM 327 CB PRO A 24 1.000 18.116 -4.380 1.00 1.32 C ATOM 328 CG PRO A 24 2.097 17.170 -4.785 1.00 1.50 C ATOM 329 CD PRO A 24 3.420 17.809 -4.401 1.00 1.24 C ATOM 0 HA PRO A 24 1.184 20.107 -3.435 1.00 1.07 H new ATOM 0 HB2 PRO A 24 0.192 17.588 -3.873 1.00 1.32 H new ATOM 0 HB3 PRO A 24 0.563 18.608 -5.249 1.00 1.32 H new ATOM 0 HG2 PRO A 24 1.977 16.209 -4.286 1.00 1.50 H new ATOM 0 HG3 PRO A 24 2.061 16.979 -5.858 1.00 1.50 H new ATOM 0 HD2 PRO A 24 3.917 17.259 -3.602 1.00 1.24 H new ATOM 0 HD3 PRO A 24 4.112 17.843 -5.243 1.00 1.24 H new ATOM 337 N SER A 25 1.841 17.363 -1.778 1.00 0.97 N ATOM 338 CA SER A 25 1.850 16.803 -0.430 1.00 0.92 C ATOM 339 C SER A 25 3.262 16.874 0.135 1.00 0.78 C ATOM 340 O SER A 25 3.782 15.896 0.663 1.00 0.81 O ATOM 341 CB SER A 25 1.347 15.346 -0.440 1.00 1.12 C ATOM 342 OG SER A 25 -0.039 15.287 -0.153 1.00 1.26 O ATOM 0 H SER A 25 2.015 16.683 -2.518 1.00 0.97 H new ATOM 0 HA SER A 25 1.178 17.385 0.201 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.540 14.897 -1.414 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.900 14.761 0.295 1.00 1.12 H new ATOM 0 HG SER A 25 -0.336 14.353 -0.166 1.00 1.26 H new ATOM 348 N ILE A 26 3.894 18.035 -0.009 1.00 0.70 N ATOM 349 CA ILE A 26 5.254 18.217 0.472 1.00 0.61 C ATOM 350 C ILE A 26 5.532 19.694 0.852 1.00 0.58 C ATOM 351 O ILE A 26 5.507 20.588 0.005 1.00 0.73 O ATOM 352 CB ILE A 26 6.251 17.644 -0.587 1.00 0.60 C ATOM 353 CG1 ILE A 26 6.427 16.160 -0.376 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.619 18.335 -0.613 1.00 0.74 C ATOM 355 CD1 ILE A 26 7.020 15.447 -1.575 1.00 0.83 C ATOM 0 H ILE A 26 3.486 18.858 -0.453 1.00 0.70 H new ATOM 0 HA ILE A 26 5.397 17.658 1.397 1.00 0.61 H new ATOM 0 HB ILE A 26 5.800 17.846 -1.559 1.00 0.60 H new ATOM 0 HG12 ILE A 26 7.070 15.997 0.489 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.459 15.717 -0.141 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.245 17.873 -1.376 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.488 19.393 -0.842 1.00 0.74 H new ATOM 0 HG23 ILE A 26 8.098 18.231 0.361 1.00 0.74 H new ATOM 0 HD11 ILE A 26 7.119 14.384 -1.354 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.366 15.579 -2.437 1.00 0.83 H new ATOM 0 HD13 ILE A 26 8.002 15.864 -1.797 1.00 0.83 H new ATOM 367 N CYS A 27 5.817 19.910 2.137 1.00 0.56 N ATOM 368 CA CYS A 27 6.134 21.237 2.691 1.00 0.56 C ATOM 369 C CYS A 27 7.295 21.048 3.679 1.00 0.55 C ATOM 370 O CYS A 27 7.111 20.440 4.733 1.00 0.59 O ATOM 371 CB CYS A 27 4.895 21.816 3.415 1.00 0.60 C ATOM 372 SG CYS A 27 4.573 23.616 3.199 1.00 0.92 S ATOM 0 H CYS A 27 5.836 19.165 2.833 1.00 0.56 H new ATOM 0 HA CYS A 27 6.413 21.935 1.902 1.00 0.56 H new ATOM 0 HB2 CYS A 27 4.016 21.270 3.073 1.00 0.60 H new ATOM 0 HB3 CYS A 27 5.000 21.615 4.481 1.00 0.60 H new ATOM 377 N CYS A 28 8.505 21.505 3.318 1.00 0.56 N ATOM 378 CA CYS A 28 9.672 21.291 4.187 1.00 0.58 C ATOM 379 C CYS A 28 10.430 22.574 4.603 1.00 0.61 C ATOM 380 O CYS A 28 10.762 23.416 3.769 1.00 0.76 O ATOM 381 CB CYS A 28 10.693 20.300 3.577 1.00 0.65 C ATOM 382 SG CYS A 28 10.231 19.488 2.000 1.00 1.28 S ATOM 0 H CYS A 28 8.698 22.012 2.454 1.00 0.56 H new ATOM 0 HA CYS A 28 9.224 20.870 5.087 1.00 0.58 H new ATOM 0 HB2 CYS A 28 11.630 20.834 3.420 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.889 19.521 4.314 1.00 0.65 H new ATOM 387 N GLY A 29 10.681 22.694 5.928 1.00 0.62 N ATOM 388 CA GLY A 29 11.370 23.831 6.467 1.00 0.65 C ATOM 389 C GLY A 29 12.695 23.490 7.131 1.00 0.67 C ATOM 390 O GLY A 29 13.116 22.344 7.203 1.00 0.66 O ATOM 0 H GLY A 29 10.405 22.001 6.624 1.00 0.62 H new ATOM 0 HA2 GLY A 29 11.550 24.548 5.666 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.725 24.322 7.196 1.00 0.65 H new ATOM 394 N ASP A 30 13.312 24.538 7.608 1.00 0.72 N ATOM 395 CA ASP A 30 14.592 24.558 8.299 1.00 0.76 C ATOM 396 C ASP A 30 14.563 23.857 9.648 1.00 0.77 C ATOM 397 O ASP A 30 15.516 23.179 10.034 1.00 0.80 O ATOM 398 CB ASP A 30 15.059 25.999 8.482 1.00 0.84 C ATOM 399 CG ASP A 30 16.556 26.099 8.689 1.00 1.41 C ATOM 400 OD1 ASP A 30 17.004 25.996 9.851 1.00 1.92 O ATOM 401 OD2 ASP A 30 17.282 26.281 7.690 1.00 2.27 O ATOM 0 H ASP A 30 12.911 25.472 7.522 1.00 0.72 H new ATOM 0 HA ASP A 30 15.291 24.004 7.672 1.00 0.76 H new ATOM 0 HB2 ASP A 30 14.776 26.584 7.607 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.546 26.438 9.338 1.00 0.84 H new ATOM 406 N GLU A 31 13.450 23.988 10.332 1.00 0.78 N ATOM 407 CA GLU A 31 13.297 23.293 11.655 1.00 0.83 C ATOM 408 C GLU A 31 12.005 22.492 11.760 1.00 0.87 C ATOM 409 O GLU A 31 11.646 21.971 12.816 1.00 1.00 O ATOM 410 CB GLU A 31 13.419 24.243 12.851 1.00 0.90 C ATOM 411 CG GLU A 31 13.888 25.643 12.506 1.00 0.99 C ATOM 412 CD GLU A 31 14.539 26.338 13.682 1.00 1.14 C ATOM 413 OE1 GLU A 31 13.847 26.565 14.695 1.00 1.66 O ATOM 414 OE2 GLU A 31 15.744 26.653 13.590 1.00 1.64 O ATOM 0 H GLU A 31 12.646 24.541 10.036 1.00 0.78 H new ATOM 0 HA GLU A 31 14.133 22.594 11.694 1.00 0.83 H new ATOM 0 HB2 GLU A 31 12.449 24.311 13.343 1.00 0.90 H new ATOM 0 HB3 GLU A 31 14.113 23.810 13.572 1.00 0.90 H new ATOM 0 HG2 GLU A 31 14.596 25.593 11.679 1.00 0.99 H new ATOM 0 HG3 GLU A 31 13.039 26.234 12.163 1.00 0.99 H new ATOM 421 N LEU A 32 11.252 22.534 10.656 1.00 0.82 N ATOM 422 CA LEU A 32 9.971 21.945 10.530 1.00 0.88 C ATOM 423 C LEU A 32 9.991 20.761 9.571 1.00 0.82 C ATOM 424 O LEU A 32 9.037 19.990 9.492 1.00 0.90 O ATOM 425 CB LEU A 32 9.078 23.047 10.034 1.00 0.93 C ATOM 426 CG LEU A 32 7.902 23.382 10.935 1.00 1.15 C ATOM 427 CD1 LEU A 32 7.381 24.775 10.624 1.00 1.24 C ATOM 428 CD2 LEU A 32 6.804 22.340 10.801 1.00 1.37 C ATOM 0 H LEU A 32 11.557 23.006 9.805 1.00 0.82 H new ATOM 0 HA LEU A 32 9.618 21.539 11.478 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.679 23.946 9.898 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.695 22.768 9.052 1.00 0.93 H new ATOM 0 HG LEU A 32 8.242 23.370 11.970 1.00 1.15 H new ATOM 0 HD11 LEU A 32 6.538 25.002 11.277 1.00 1.24 H new ATOM 0 HD12 LEU A 32 8.174 25.505 10.787 1.00 1.24 H new ATOM 0 HD13 LEU A 32 7.057 24.818 9.584 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.973 22.601 11.456 1.00 1.37 H new ATOM 0 HD22 LEU A 32 6.457 22.308 9.768 1.00 1.37 H new ATOM 0 HD23 LEU A 32 7.194 21.362 11.083 1.00 1.37 H new ATOM 440 N GLY A 33 11.089 20.629 8.849 1.00 0.73 N ATOM 441 CA GLY A 33 11.237 19.548 7.914 1.00 0.71 C ATOM 442 C GLY A 33 10.142 19.502 6.864 1.00 0.67 C ATOM 443 O GLY A 33 9.500 20.506 6.615 1.00 0.65 O ATOM 0 H GLY A 33 11.888 21.262 8.898 1.00 0.73 H new ATOM 0 HA2 GLY A 33 12.203 19.638 7.417 1.00 0.71 H new ATOM 0 HA3 GLY A 33 11.246 18.605 8.460 1.00 0.71 H new ATOM 447 N CYS A 34 9.888 18.309 6.314 1.00 0.70 N ATOM 448 CA CYS A 34 8.845 18.117 5.300 1.00 0.69 C ATOM 449 C CYS A 34 7.630 17.389 5.799 1.00 0.65 C ATOM 450 O CYS A 34 7.704 16.232 6.213 1.00 0.62 O ATOM 451 CB CYS A 34 9.391 17.386 4.080 1.00 0.73 C ATOM 452 SG CYS A 34 8.826 18.103 2.499 1.00 1.08 S ATOM 0 H CYS A 34 10.394 17.457 6.556 1.00 0.70 H new ATOM 0 HA CYS A 34 8.530 19.125 5.031 1.00 0.69 H new ATOM 0 HB2 CYS A 34 10.480 17.404 4.111 1.00 0.73 H new ATOM 0 HB3 CYS A 34 9.088 16.340 4.126 1.00 0.73 H new ATOM 457 N PHE A 35 6.489 18.050 5.644 1.00 0.68 N ATOM 458 CA PHE A 35 5.247 17.413 5.952 1.00 0.67 C ATOM 459 C PHE A 35 4.815 16.903 4.609 1.00 0.64 C ATOM 460 O PHE A 35 4.365 17.682 3.765 1.00 0.63 O ATOM 461 CB PHE A 35 4.176 18.358 6.540 1.00 0.69 C ATOM 462 CG PHE A 35 4.638 19.747 6.912 1.00 0.73 C ATOM 463 CD1 PHE A 35 5.783 19.943 7.667 1.00 0.98 C ATOM 464 CD2 PHE A 35 3.904 20.857 6.519 1.00 1.16 C ATOM 465 CE1 PHE A 35 6.188 21.218 8.020 1.00 1.21 C ATOM 466 CE2 PHE A 35 4.305 22.132 6.866 1.00 1.38 C ATOM 467 CZ PHE A 35 5.449 22.314 7.619 1.00 1.26 C ATOM 0 H PHE A 35 6.413 19.011 5.311 1.00 0.68 H new ATOM 0 HA PHE A 35 5.366 16.654 6.725 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.366 18.450 5.816 1.00 0.69 H new ATOM 0 HB3 PHE A 35 3.756 17.888 7.429 1.00 0.69 H new ATOM 0 HD1 PHE A 35 6.366 19.091 7.984 1.00 0.98 H new ATOM 0 HD2 PHE A 35 3.007 20.722 5.934 1.00 1.16 H new ATOM 0 HE1 PHE A 35 7.082 21.356 8.609 1.00 1.21 H new ATOM 0 HE2 PHE A 35 3.725 22.986 6.549 1.00 1.38 H new ATOM 0 HZ PHE A 35 5.764 23.310 7.893 1.00 1.26 H new ATOM 477 N VAL A 36 5.001 15.615 4.379 1.00 0.67 N ATOM 478 CA VAL A 36 4.669 15.073 3.088 1.00 0.68 C ATOM 479 C VAL A 36 3.236 14.598 3.085 1.00 0.71 C ATOM 480 O VAL A 36 2.915 13.428 3.337 1.00 0.74 O ATOM 481 CB VAL A 36 5.644 13.968 2.616 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.531 13.809 1.099 1.00 0.75 C ATOM 483 CG2 VAL A 36 7.097 14.296 3.018 1.00 0.76 C ATOM 0 H VAL A 36 5.371 14.946 5.054 1.00 0.67 H new ATOM 0 HA VAL A 36 4.778 15.877 2.360 1.00 0.68 H new ATOM 0 HB VAL A 36 5.373 13.031 3.102 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.217 13.031 0.763 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.510 13.531 0.837 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.786 14.752 0.614 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.758 13.501 2.673 1.00 0.76 H new ATOM 0 HG22 VAL A 36 7.396 15.240 2.563 1.00 0.76 H new ATOM 0 HG23 VAL A 36 7.165 14.378 4.103 1.00 0.76 H new ATOM 493 N GLY A 37 2.377 15.568 2.817 1.00 0.71 N ATOM 494 CA GLY A 37 0.945 15.322 2.787 1.00 0.76 C ATOM 495 C GLY A 37 0.359 15.269 4.181 1.00 0.72 C ATOM 496 O GLY A 37 0.115 14.191 4.722 1.00 0.81 O ATOM 0 H GLY A 37 2.646 16.531 2.617 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.452 16.108 2.214 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.748 14.381 2.273 1.00 0.76 H new ATOM 500 N THR A 38 0.157 16.440 4.772 1.00 0.68 N ATOM 501 CA THR A 38 -0.378 16.537 6.131 1.00 0.68 C ATOM 502 C THR A 38 -1.146 17.841 6.292 1.00 0.72 C ATOM 503 O THR A 38 -0.913 18.770 5.521 1.00 0.77 O ATOM 504 CB THR A 38 0.769 16.462 7.171 1.00 0.72 C ATOM 505 OG1 THR A 38 1.242 17.757 7.519 1.00 0.77 O ATOM 506 CG2 THR A 38 1.979 15.665 6.709 1.00 0.76 C ATOM 0 H THR A 38 0.355 17.339 4.333 1.00 0.68 H new ATOM 0 HA THR A 38 -1.055 15.700 6.302 1.00 0.68 H new ATOM 0 HB THR A 38 0.316 15.954 8.023 1.00 0.72 H new ATOM 0 HG1 THR A 38 1.715 17.713 8.376 1.00 0.77 H new ATOM 0 HG21 THR A 38 2.734 15.662 7.495 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.678 14.640 6.491 1.00 0.76 H new ATOM 0 HG23 THR A 38 2.393 16.121 5.809 1.00 0.76 H new ATOM 514 N ALA A 39 -2.113 17.894 7.239 1.00 0.77 N ATOM 515 CA ALA A 39 -2.959 19.096 7.443 1.00 0.86 C ATOM 516 C ALA A 39 -2.169 20.389 7.226 1.00 0.82 C ATOM 517 O ALA A 39 -2.641 21.312 6.580 1.00 0.86 O ATOM 518 CB ALA A 39 -3.574 19.072 8.836 1.00 1.02 C ATOM 0 H ALA A 39 -2.327 17.123 7.871 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.757 19.074 6.700 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.193 19.958 8.976 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -4.189 18.179 8.947 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -2.781 19.062 9.584 1.00 1.02 H new ATOM 524 N GLU A 40 -0.951 20.452 7.760 1.00 0.78 N ATOM 525 CA GLU A 40 -0.103 21.639 7.586 1.00 0.79 C ATOM 526 C GLU A 40 -0.029 22.030 6.093 1.00 0.74 C ATOM 527 O GLU A 40 -0.244 23.188 5.736 1.00 0.79 O ATOM 528 CB GLU A 40 1.296 21.374 8.152 1.00 0.82 C ATOM 529 CG GLU A 40 1.282 20.836 9.578 1.00 1.25 C ATOM 530 CD GLU A 40 0.665 21.807 10.568 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.975 23.015 10.489 1.00 2.32 O ATOM 532 OE2 GLU A 40 -0.125 21.358 11.425 1.00 1.91 O ATOM 0 H GLU A 40 -0.528 19.706 8.312 1.00 0.78 H new ATOM 0 HA GLU A 40 -0.542 22.473 8.134 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.811 20.661 7.508 1.00 0.82 H new ATOM 0 HB3 GLU A 40 1.871 22.300 8.127 1.00 0.82 H new ATOM 0 HG2 GLU A 40 0.727 19.898 9.602 1.00 1.25 H new ATOM 0 HG3 GLU A 40 2.303 20.610 9.886 1.00 1.25 H new ATOM 539 N ALA A 41 0.266 21.045 5.234 1.00 0.70 N ATOM 540 CA ALA A 41 0.366 21.259 3.792 1.00 0.71 C ATOM 541 C ALA A 41 -1.021 21.469 3.164 1.00 0.78 C ATOM 542 O ALA A 41 -1.153 21.726 1.983 1.00 0.87 O ATOM 543 CB ALA A 41 1.061 20.068 3.151 1.00 0.77 C ATOM 0 H ALA A 41 0.441 20.082 5.522 1.00 0.70 H new ATOM 0 HA ALA A 41 0.951 22.161 3.614 1.00 0.71 H new ATOM 0 HB1 ALA A 41 1.136 20.226 2.075 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.060 19.960 3.573 1.00 0.77 H new ATOM 0 HB3 ALA A 41 0.485 19.163 3.345 1.00 0.77 H new ATOM 549 N LEU A 42 -2.046 21.406 4.006 1.00 0.81 N ATOM 550 CA LEU A 42 -3.415 21.669 3.531 1.00 0.94 C ATOM 551 C LEU A 42 -3.407 23.065 2.879 1.00 1.05 C ATOM 552 O LEU A 42 -3.837 23.252 1.729 1.00 1.23 O ATOM 553 CB LEU A 42 -4.464 21.578 4.631 1.00 0.98 C ATOM 554 CG LEU A 42 -5.256 20.275 4.626 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.915 20.037 5.974 1.00 1.11 C ATOM 556 CD2 LEU A 42 -6.299 20.283 3.514 1.00 1.16 C ATOM 0 H LEU A 42 -1.969 21.182 4.998 1.00 0.81 H new ATOM 0 HA LEU A 42 -3.699 20.899 2.814 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.973 21.689 5.598 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -5.157 22.413 4.528 1.00 0.98 H new ATOM 0 HG LEU A 42 -4.560 19.457 4.439 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -6.474 19.102 5.946 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -5.150 19.979 6.748 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -6.595 20.859 6.197 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -6.853 19.344 3.528 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -6.988 21.113 3.668 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -5.803 20.397 2.550 1.00 1.16 H new ATOM 568 N ARG A 43 -2.804 24.015 3.602 1.00 1.04 N ATOM 569 CA ARG A 43 -2.628 25.374 3.099 1.00 1.23 C ATOM 570 C ARG A 43 -1.628 25.397 1.956 1.00 1.24 C ATOM 571 O ARG A 43 -1.369 26.463 1.386 1.00 1.46 O ATOM 572 CB ARG A 43 -2.139 26.333 4.195 1.00 1.32 C ATOM 573 CG ARG A 43 -1.172 25.720 5.196 1.00 1.34 C ATOM 574 CD ARG A 43 -1.629 25.964 6.628 1.00 1.50 C ATOM 575 NE ARG A 43 -1.137 27.239 7.157 1.00 1.88 N ATOM 576 CZ ARG A 43 -1.715 27.910 8.157 1.00 2.20 C ATOM 577 NH1 ARG A 43 -2.813 27.440 8.741 1.00 2.39 N ATOM 578 NH2 ARG A 43 -1.193 29.055 8.575 1.00 2.92 N ATOM 0 H ARG A 43 -2.430 23.863 4.539 1.00 1.04 H new ATOM 0 HA ARG A 43 -3.606 25.707 2.750 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -1.656 27.187 3.721 1.00 1.32 H new ATOM 0 HB3 ARG A 43 -3.005 26.716 4.735 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -1.090 24.648 5.016 1.00 1.34 H new ATOM 0 HG3 ARG A 43 -0.178 26.144 5.052 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -2.718 25.953 6.667 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -1.279 25.150 7.263 1.00 1.50 H new ATOM 0 HE ARG A 43 -0.300 27.640 6.735 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -3.221 26.560 8.426 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -3.247 27.960 9.504 1.00 2.39 H new ATOM 0 HH21 ARG A 43 -0.351 29.423 8.133 1.00 2.92 H new ATOM 0 HH22 ARG A 43 -1.634 29.568 9.339 1.00 2.92 H new ATOM 592 N CYS A 44 -1.089 24.227 1.569 1.00 1.08 N ATOM 593 CA CYS A 44 -0.158 24.204 0.454 1.00 1.15 C ATOM 594 C CYS A 44 -0.868 24.651 -0.809 1.00 1.41 C ATOM 595 O CYS A 44 -0.259 25.380 -1.591 1.00 1.57 O ATOM 596 CB CYS A 44 0.510 22.841 0.232 1.00 1.04 C ATOM 597 SG CYS A 44 2.176 22.704 0.972 1.00 1.28 S ATOM 0 H CYS A 44 -1.279 23.322 2.000 1.00 1.08 H new ATOM 0 HA CYS A 44 0.647 24.895 0.705 1.00 1.15 H new ATOM 0 HB2 CYS A 44 -0.128 22.062 0.650 1.00 1.04 H new ATOM 0 HB3 CYS A 44 0.582 22.653 -0.839 1.00 1.04 H new ATOM 602 N GLN A 45 -2.121 24.195 -1.084 1.00 1.55 N ATOM 603 CA GLN A 45 -2.847 24.554 -2.309 1.00 1.86 C ATOM 604 C GLN A 45 -2.720 25.990 -2.793 1.00 2.09 C ATOM 605 O GLN A 45 -3.088 26.258 -3.943 1.00 2.35 O ATOM 606 CB GLN A 45 -4.331 24.246 -2.091 1.00 1.97 C ATOM 607 CG GLN A 45 -4.633 22.772 -1.870 1.00 2.40 C ATOM 608 CD GLN A 45 -6.121 22.498 -1.747 1.00 2.73 C ATOM 609 OE1 GLN A 45 -6.800 22.235 -2.739 1.00 3.31 O ATOM 610 NE2 GLN A 45 -6.635 22.562 -0.523 1.00 3.02 N ATOM 0 H GLN A 45 -2.641 23.576 -0.463 1.00 1.55 H new ATOM 0 HA GLN A 45 -2.380 23.959 -3.094 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -4.686 24.812 -1.229 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -4.895 24.596 -2.956 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -4.227 22.193 -2.699 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -4.128 22.432 -0.966 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -6.035 22.783 0.271 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -7.630 22.390 -0.378 1.00 3.02 H new ATOM 619 N GLU A 46 -2.195 26.911 -1.991 1.00 2.07 N ATOM 620 CA GLU A 46 -2.054 28.279 -2.496 1.00 2.35 C ATOM 621 C GLU A 46 -0.778 28.352 -3.351 1.00 2.34 C ATOM 622 O GLU A 46 -0.463 29.378 -3.968 1.00 2.50 O ATOM 623 CB GLU A 46 -1.984 29.294 -1.346 1.00 2.41 C ATOM 624 CG GLU A 46 -2.921 28.986 -0.187 1.00 2.80 C ATOM 625 CD GLU A 46 -4.274 29.656 -0.332 1.00 3.19 C ATOM 626 OE1 GLU A 46 -4.359 30.880 -0.096 1.00 3.69 O ATOM 627 OE2 GLU A 46 -5.249 28.957 -0.680 1.00 3.53 O ATOM 0 H GLU A 46 -1.874 26.753 -1.036 1.00 2.07 H new ATOM 0 HA GLU A 46 -2.927 28.531 -3.098 1.00 2.35 H new ATOM 0 HB2 GLU A 46 -0.961 29.333 -0.972 1.00 2.41 H new ATOM 0 HB3 GLU A 46 -2.219 30.285 -1.735 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -3.060 27.907 -0.115 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -2.458 29.310 0.745 1.00 2.80 H new ATOM 634 N GLU A 47 -0.107 27.202 -3.463 1.00 2.22 N ATOM 635 CA GLU A 47 1.078 27.065 -4.286 1.00 2.31 C ATOM 636 C GLU A 47 0.677 26.837 -5.745 1.00 2.34 C ATOM 637 O GLU A 47 1.532 26.713 -6.622 1.00 2.42 O ATOM 638 CB GLU A 47 1.917 25.888 -3.783 1.00 2.37 C ATOM 639 CG GLU A 47 3.386 25.971 -4.159 1.00 2.96 C ATOM 640 CD GLU A 47 3.935 24.641 -4.637 1.00 3.45 C ATOM 641 OE1 GLU A 47 3.618 24.243 -5.778 1.00 3.99 O ATOM 642 OE2 GLU A 47 4.679 23.996 -3.869 1.00 3.68 O ATOM 0 H GLU A 47 -0.378 26.344 -2.982 1.00 2.22 H new ATOM 0 HA GLU A 47 1.668 27.979 -4.223 1.00 2.31 H new ATOM 0 HB2 GLU A 47 1.833 25.833 -2.698 1.00 2.37 H new ATOM 0 HB3 GLU A 47 1.502 24.963 -4.182 1.00 2.37 H new ATOM 0 HG2 GLU A 47 3.516 26.718 -4.942 1.00 2.96 H new ATOM 0 HG3 GLU A 47 3.961 26.310 -3.297 1.00 2.96 H new ATOM 769 N SER A 56 16.808 26.029 -2.480 1.00 2.28 N ATOM 770 CA SER A 56 17.634 25.647 -1.318 1.00 2.07 C ATOM 771 C SER A 56 17.335 24.209 -0.885 1.00 1.82 C ATOM 772 O SER A 56 16.214 23.909 -0.477 1.00 2.22 O ATOM 773 CB SER A 56 17.395 26.598 -0.139 1.00 2.60 C ATOM 774 OG SER A 56 17.214 27.932 -0.583 1.00 3.12 O ATOM 0 HA SER A 56 18.679 25.716 -1.621 1.00 2.07 H new ATOM 0 HB2 SER A 56 16.516 26.276 0.419 1.00 2.60 H new ATOM 0 HB3 SER A 56 18.242 26.552 0.546 1.00 2.60 H new ATOM 0 HG SER A 56 17.014 27.933 -1.542 1.00 3.12 H new ATOM 780 N GLY A 57 18.324 23.303 -0.999 1.00 1.58 N ATOM 781 CA GLY A 57 18.118 21.928 -0.646 1.00 1.86 C ATOM 782 C GLY A 57 18.855 21.064 -1.636 1.00 1.68 C ATOM 783 O GLY A 57 18.252 20.268 -2.353 1.00 2.10 O ATOM 0 H GLY A 57 19.263 23.519 -1.334 1.00 1.58 H new ATOM 0 HA2 GLY A 57 18.479 21.738 0.365 1.00 1.86 H new ATOM 0 HA3 GLY A 57 17.054 21.690 -0.654 1.00 1.86 H new ATOM 787 N GLN A 58 20.174 21.239 -1.685 1.00 1.37 N ATOM 788 CA GLN A 58 21.002 20.486 -2.605 1.00 1.46 C ATOM 789 C GLN A 58 21.973 19.627 -1.829 1.00 1.08 C ATOM 790 O GLN A 58 23.182 19.846 -1.811 1.00 1.00 O ATOM 791 CB GLN A 58 21.757 21.427 -3.552 1.00 1.97 C ATOM 792 CG GLN A 58 20.860 22.123 -4.566 1.00 2.80 C ATOM 793 CD GLN A 58 21.629 23.045 -5.494 1.00 3.61 C ATOM 794 OE1 GLN A 58 22.036 22.647 -6.586 1.00 3.96 O ATOM 795 NE2 GLN A 58 21.831 24.287 -5.064 1.00 4.36 N ATOM 0 H GLN A 58 20.685 21.897 -1.096 1.00 1.37 H new ATOM 0 HA GLN A 58 20.361 19.844 -3.209 1.00 1.46 H new ATOM 0 HB2 GLN A 58 22.277 22.182 -2.962 1.00 1.97 H new ATOM 0 HB3 GLN A 58 22.519 20.858 -4.084 1.00 1.97 H new ATOM 0 HG2 GLN A 58 20.337 21.372 -5.158 1.00 2.80 H new ATOM 0 HG3 GLN A 58 20.100 22.698 -4.038 1.00 2.80 H new ATOM 0 HE21 GLN A 58 21.476 24.575 -4.152 1.00 4.36 H new ATOM 0 HE22 GLN A 58 22.341 24.952 -5.646 1.00 4.36 H new ATOM 804 N LYS A 59 21.408 18.596 -1.274 1.00 1.17 N ATOM 805 CA LYS A 59 22.139 17.601 -0.499 1.00 1.13 C ATOM 806 C LYS A 59 21.578 16.259 -0.928 1.00 0.95 C ATOM 807 O LYS A 59 20.857 15.590 -0.194 1.00 0.88 O ATOM 808 CB LYS A 59 21.929 17.811 1.013 1.00 1.54 C ATOM 809 CG LYS A 59 22.573 16.737 1.880 1.00 1.90 C ATOM 810 CD LYS A 59 24.082 16.713 1.699 1.00 2.17 C ATOM 811 CE LYS A 59 24.555 15.378 1.145 1.00 2.82 C ATOM 812 NZ LYS A 59 25.000 15.491 -0.272 1.00 3.55 N ATOM 0 H LYS A 59 20.408 18.407 -1.340 1.00 1.17 H new ATOM 0 HA LYS A 59 23.212 17.671 -0.677 1.00 1.13 H new ATOM 0 HB2 LYS A 59 22.334 18.783 1.295 1.00 1.54 H new ATOM 0 HB3 LYS A 59 20.859 17.839 1.221 1.00 1.54 H new ATOM 0 HG2 LYS A 59 22.333 16.920 2.927 1.00 1.90 H new ATOM 0 HG3 LYS A 59 22.158 15.762 1.623 1.00 1.90 H new ATOM 0 HD2 LYS A 59 24.381 17.515 1.024 1.00 2.17 H new ATOM 0 HD3 LYS A 59 24.568 16.904 2.656 1.00 2.17 H new ATOM 0 HE2 LYS A 59 25.377 15.003 1.755 1.00 2.82 H new ATOM 0 HE3 LYS A 59 23.747 14.649 1.215 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 25.586 14.668 -0.519 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 24.168 15.523 -0.896 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 25.557 16.361 -0.393 1.00 3.55 H new ATOM 826 N PRO A 60 21.867 15.889 -2.205 1.00 1.06 N ATOM 827 CA PRO A 60 21.344 14.667 -2.805 1.00 1.15 C ATOM 828 C PRO A 60 21.775 13.372 -2.135 1.00 1.10 C ATOM 829 O PRO A 60 22.950 13.004 -2.094 1.00 1.23 O ATOM 830 CB PRO A 60 21.839 14.712 -4.255 1.00 1.48 C ATOM 831 CG PRO A 60 22.989 15.655 -4.244 1.00 1.54 C ATOM 832 CD PRO A 60 22.667 16.667 -3.188 1.00 1.30 C ATOM 0 HA PRO A 60 20.259 14.650 -2.699 1.00 1.15 H new ATOM 0 HB2 PRO A 60 22.144 13.723 -4.598 1.00 1.48 H new ATOM 0 HB3 PRO A 60 21.054 15.056 -4.929 1.00 1.48 H new ATOM 0 HG2 PRO A 60 23.920 15.135 -4.019 1.00 1.54 H new ATOM 0 HG3 PRO A 60 23.116 16.130 -5.217 1.00 1.54 H new ATOM 0 HD2 PRO A 60 23.569 17.079 -2.737 1.00 1.30 H new ATOM 0 HD3 PRO A 60 22.102 17.506 -3.593 1.00 1.30 H new ATOM 840 N CYS A 61 20.756 12.682 -1.670 1.00 1.08 N ATOM 841 CA CYS A 61 20.846 11.382 -1.034 1.00 1.13 C ATOM 842 C CYS A 61 19.573 10.630 -1.447 1.00 1.36 C ATOM 843 O CYS A 61 18.826 11.143 -2.293 1.00 1.54 O ATOM 844 CB CYS A 61 21.063 11.503 0.495 1.00 1.30 C ATOM 845 SG CYS A 61 19.588 11.374 1.567 1.00 1.59 S ATOM 0 H CYS A 61 19.798 13.026 -1.727 1.00 1.08 H new ATOM 0 HA CYS A 61 21.720 10.818 -1.359 1.00 1.13 H new ATOM 0 HB2 CYS A 61 21.768 10.729 0.797 1.00 1.30 H new ATOM 0 HB3 CYS A 61 21.540 12.463 0.693 1.00 1.30 H new ATOM 850 N GLY A 62 19.282 9.461 -0.888 1.00 1.60 N ATOM 851 CA GLY A 62 18.057 8.786 -1.286 1.00 1.92 C ATOM 852 C GLY A 62 18.079 8.322 -2.728 1.00 2.10 C ATOM 853 O GLY A 62 19.140 8.233 -3.347 1.00 2.43 O ATOM 0 H GLY A 62 19.849 8.980 -0.190 1.00 1.60 H new ATOM 0 HA2 GLY A 62 17.895 7.926 -0.636 1.00 1.92 H new ATOM 0 HA3 GLY A 62 17.213 9.460 -1.140 1.00 1.92 H new ATOM 857 N SER A 63 16.908 7.958 -3.241 1.00 2.43 N ATOM 858 CA SER A 63 16.812 7.411 -4.620 1.00 2.98 C ATOM 859 C SER A 63 16.641 8.522 -5.622 1.00 2.74 C ATOM 860 O SER A 63 15.872 8.437 -6.581 1.00 3.32 O ATOM 861 CB SER A 63 15.645 6.426 -4.728 1.00 3.86 C ATOM 862 OG SER A 63 14.501 6.913 -4.047 1.00 4.11 O ATOM 0 H SER A 63 16.019 8.024 -2.746 1.00 2.43 H new ATOM 0 HA SER A 63 17.740 6.882 -4.839 1.00 2.98 H new ATOM 0 HB2 SER A 63 15.403 6.258 -5.777 1.00 3.86 H new ATOM 0 HB3 SER A 63 15.938 5.463 -4.310 1.00 3.86 H new ATOM 0 HG SER A 63 13.769 6.267 -4.134 1.00 4.11 H new ATOM 868 N GLY A 64 17.354 9.619 -5.315 1.00 2.15 N ATOM 869 CA GLY A 64 17.327 10.853 -6.059 1.00 2.11 C ATOM 870 C GLY A 64 16.895 12.097 -5.229 1.00 1.92 C ATOM 871 O GLY A 64 16.685 13.148 -5.841 1.00 2.21 O ATOM 0 H GLY A 64 17.981 9.654 -4.511 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.319 11.035 -6.473 1.00 2.11 H new ATOM 0 HA3 GLY A 64 16.645 10.740 -6.902 1.00 2.11 H new ATOM 875 N GLY A 65 16.692 12.010 -3.906 1.00 1.62 N ATOM 876 CA GLY A 65 16.215 13.202 -3.185 1.00 1.62 C ATOM 877 C GLY A 65 17.269 13.993 -2.416 1.00 1.43 C ATOM 878 O GLY A 65 18.084 13.431 -1.686 1.00 1.62 O ATOM 0 H GLY A 65 16.840 11.176 -3.338 1.00 1.62 H new ATOM 0 HA2 GLY A 65 15.743 13.871 -3.904 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.441 12.891 -2.483 1.00 1.62 H new ATOM 882 N ARG A 66 17.211 15.325 -2.570 1.00 1.17 N ATOM 883 CA ARG A 66 18.121 16.251 -1.882 1.00 1.03 C ATOM 884 C ARG A 66 17.530 16.683 -0.540 1.00 0.94 C ATOM 885 O ARG A 66 16.313 16.669 -0.358 1.00 1.04 O ATOM 886 CB ARG A 66 18.445 17.486 -2.736 1.00 1.10 C ATOM 887 CG ARG A 66 17.324 17.929 -3.668 1.00 1.26 C ATOM 888 CD ARG A 66 17.292 17.097 -4.941 1.00 1.41 C ATOM 889 NE ARG A 66 18.438 17.373 -5.808 1.00 1.78 N ATOM 890 CZ ARG A 66 18.664 16.757 -6.970 1.00 2.30 C ATOM 891 NH1 ARG A 66 17.828 15.826 -7.416 1.00 2.55 N ATOM 892 NH2 ARG A 66 19.731 17.075 -7.691 1.00 3.02 N ATOM 0 H ARG A 66 16.533 15.789 -3.174 1.00 1.17 H new ATOM 0 HA ARG A 66 19.054 15.715 -1.710 1.00 1.03 H new ATOM 0 HB2 ARG A 66 18.696 18.314 -2.073 1.00 1.10 H new ATOM 0 HB3 ARG A 66 19.333 17.275 -3.332 1.00 1.10 H new ATOM 0 HG2 ARG A 66 16.367 17.844 -3.153 1.00 1.26 H new ATOM 0 HG3 ARG A 66 17.456 18.980 -3.923 1.00 1.26 H new ATOM 0 HD2 ARG A 66 17.281 16.038 -4.681 1.00 1.41 H new ATOM 0 HD3 ARG A 66 16.369 17.302 -5.484 1.00 1.41 H new ATOM 0 HE ARG A 66 19.107 18.081 -5.505 1.00 1.78 H new ATOM 0 HH11 ARG A 66 17.004 15.576 -6.869 1.00 2.55 H new ATOM 0 HH12 ARG A 66 18.010 15.361 -8.306 1.00 2.55 H new ATOM 0 HH21 ARG A 66 20.378 17.790 -7.357 1.00 3.02 H new ATOM 0 HH22 ARG A 66 19.905 16.605 -8.579 1.00 3.02 H new ATOM 906 N CYS A 67 18.394 17.072 0.396 1.00 0.87 N ATOM 907 CA CYS A 67 17.998 17.502 1.678 1.00 0.87 C ATOM 908 C CYS A 67 17.341 18.842 1.536 1.00 0.88 C ATOM 909 O CYS A 67 18.021 19.865 1.433 1.00 0.93 O ATOM 910 CB CYS A 67 19.252 17.588 2.570 1.00 0.93 C ATOM 911 SG CYS A 67 18.976 18.174 4.279 1.00 1.52 S ATOM 0 H CYS A 67 19.404 17.087 0.252 1.00 0.87 H new ATOM 0 HA CYS A 67 17.292 16.809 2.136 1.00 0.87 H new ATOM 0 HB2 CYS A 67 19.711 16.600 2.615 1.00 0.93 H new ATOM 0 HB3 CYS A 67 19.971 18.252 2.090 1.00 0.93 H new ATOM 916 N ALA A 68 16.032 18.850 1.604 1.00 0.91 N ATOM 917 CA ALA A 68 15.312 20.108 1.556 1.00 0.98 C ATOM 918 C ALA A 68 15.488 20.726 2.924 1.00 0.98 C ATOM 919 O ALA A 68 15.595 21.941 3.103 1.00 1.07 O ATOM 920 CB ALA A 68 13.838 19.875 1.255 1.00 0.98 C ATOM 0 H ALA A 68 15.448 18.018 1.691 1.00 0.91 H new ATOM 0 HA ALA A 68 15.690 20.759 0.768 1.00 0.98 H new ATOM 0 HB1 ALA A 68 13.317 20.832 1.224 1.00 0.98 H new ATOM 0 HB2 ALA A 68 13.738 19.376 0.291 1.00 0.98 H new ATOM 0 HB3 ALA A 68 13.402 19.250 2.034 1.00 0.98 H new ATOM 926 N ALA A 69 15.385 19.824 3.881 1.00 0.92 N ATOM 927 CA ALA A 69 15.386 20.171 5.304 1.00 0.96 C ATOM 928 C ALA A 69 16.172 19.167 6.139 1.00 0.92 C ATOM 929 O ALA A 69 16.426 18.043 5.705 1.00 0.87 O ATOM 930 CB ALA A 69 13.947 20.196 5.791 1.00 1.00 C ATOM 0 H ALA A 69 15.298 18.824 3.701 1.00 0.92 H new ATOM 0 HA ALA A 69 15.864 21.144 5.418 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.926 20.453 6.850 1.00 1.00 H new ATOM 0 HB2 ALA A 69 13.385 20.939 5.226 1.00 1.00 H new ATOM 0 HB3 ALA A 69 13.497 19.214 5.647 1.00 1.00 H new ATOM 936 N ALA A 70 16.561 19.590 7.339 1.00 0.98 N ATOM 937 CA ALA A 70 17.333 18.745 8.245 1.00 1.00 C ATOM 938 C ALA A 70 16.670 17.386 8.501 1.00 1.04 C ATOM 939 O ALA A 70 15.565 17.298 9.036 1.00 1.24 O ATOM 940 CB ALA A 70 17.598 19.469 9.563 1.00 1.15 C ATOM 0 H ALA A 70 16.353 20.518 7.708 1.00 0.98 H new ATOM 0 HA ALA A 70 18.283 18.544 7.751 1.00 1.00 H new ATOM 0 HB1 ALA A 70 18.175 18.822 10.224 1.00 1.15 H new ATOM 0 HB2 ALA A 70 18.159 20.383 9.370 1.00 1.15 H new ATOM 0 HB3 ALA A 70 16.649 19.720 10.038 1.00 1.15 H new ATOM 946 N GLY A 71 17.412 16.340 8.160 1.00 1.15 N ATOM 947 CA GLY A 71 17.005 14.972 8.376 1.00 1.27 C ATOM 948 C GLY A 71 15.983 14.405 7.395 1.00 1.21 C ATOM 949 O GLY A 71 15.530 13.275 7.577 1.00 1.28 O ATOM 0 H GLY A 71 18.327 16.428 7.719 1.00 1.15 H new ATOM 0 HA2 GLY A 71 17.894 14.342 8.345 1.00 1.27 H new ATOM 0 HA3 GLY A 71 16.593 14.893 9.382 1.00 1.27 H new ATOM 953 N ILE A 72 15.591 15.164 6.372 1.00 1.12 N ATOM 954 CA ILE A 72 14.606 14.691 5.400 1.00 1.08 C ATOM 955 C ILE A 72 15.095 14.949 3.957 1.00 1.03 C ATOM 956 O ILE A 72 15.127 16.092 3.467 1.00 1.36 O ATOM 957 CB ILE A 72 13.245 15.353 5.668 1.00 1.52 C ATOM 958 CG1 ILE A 72 13.266 16.835 5.333 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.836 15.142 7.118 1.00 2.27 C ATOM 960 CD1 ILE A 72 12.363 17.120 4.180 1.00 0.92 C ATOM 0 H ILE A 72 15.939 16.106 6.195 1.00 1.12 H new ATOM 0 HA ILE A 72 14.484 13.614 5.511 1.00 1.08 H new ATOM 0 HB ILE A 72 12.510 14.880 5.017 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.952 17.415 6.201 1.00 1.09 H new ATOM 0 HG13 ILE A 72 14.283 17.146 5.092 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.870 15.615 7.296 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.760 14.074 7.323 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.584 15.585 7.775 1.00 2.27 H new ATOM 0 HD11 ILE A 72 12.389 18.186 3.952 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.695 16.555 3.309 1.00 0.92 H new ATOM 0 HD13 ILE A 72 11.344 16.828 4.435 1.00 0.92 H new ATOM 972 N CYS A 73 15.497 13.863 3.291 1.00 0.82 N ATOM 973 CA CYS A 73 16.007 13.930 1.923 1.00 1.07 C ATOM 974 C CYS A 73 14.853 13.905 0.943 1.00 1.08 C ATOM 975 O CYS A 73 14.398 12.840 0.529 1.00 1.21 O ATOM 976 CB CYS A 73 16.922 12.739 1.648 1.00 1.19 C ATOM 977 SG CYS A 73 18.665 13.164 1.359 1.00 1.98 S ATOM 0 H CYS A 73 15.478 12.921 3.683 1.00 0.82 H new ATOM 0 HA CYS A 73 16.570 14.856 1.804 1.00 1.07 H new ATOM 0 HB2 CYS A 73 16.866 12.053 2.493 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.545 12.203 0.777 1.00 1.19 H new ATOM 982 N CYS A 74 14.360 15.082 0.601 1.00 0.98 N ATOM 983 CA CYS A 74 13.227 15.185 -0.295 1.00 0.99 C ATOM 984 C CYS A 74 13.622 15.505 -1.735 1.00 1.15 C ATOM 985 O CYS A 74 14.406 16.416 -2.004 1.00 1.33 O ATOM 986 CB CYS A 74 12.249 16.228 0.232 1.00 1.13 C ATOM 987 SG CYS A 74 10.506 15.756 0.018 1.00 1.32 S ATOM 0 H CYS A 74 14.726 15.975 0.930 1.00 0.98 H new ATOM 0 HA CYS A 74 12.751 14.205 -0.321 1.00 0.99 H new ATOM 0 HB2 CYS A 74 12.445 16.397 1.291 1.00 1.13 H new ATOM 0 HB3 CYS A 74 12.427 17.174 -0.280 1.00 1.13 H new ATOM 992 N SER A 75 13.033 14.742 -2.648 1.00 1.14 N ATOM 993 CA SER A 75 13.243 14.893 -4.082 1.00 1.36 C ATOM 994 C SER A 75 11.967 15.460 -4.708 1.00 1.28 C ATOM 995 O SER A 75 11.011 15.747 -3.988 1.00 1.10 O ATOM 996 CB SER A 75 13.596 13.542 -4.710 1.00 1.46 C ATOM 997 OG SER A 75 12.620 12.564 -4.396 1.00 1.99 O ATOM 0 H SER A 75 12.387 13.990 -2.409 1.00 1.14 H new ATOM 0 HA SER A 75 14.072 15.576 -4.265 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.673 13.649 -5.792 1.00 1.46 H new ATOM 0 HB3 SER A 75 14.572 13.215 -4.352 1.00 1.46 H new ATOM 0 HG SER A 75 12.867 11.711 -4.810 1.00 1.99 H new ATOM 1003 N PRO A 76 11.909 15.641 -6.042 1.00 1.46 N ATOM 1004 CA PRO A 76 10.711 16.186 -6.686 1.00 1.42 C ATOM 1005 C PRO A 76 9.584 15.159 -6.746 1.00 1.18 C ATOM 1006 O PRO A 76 8.761 15.170 -7.661 1.00 1.22 O ATOM 1007 CB PRO A 76 11.195 16.542 -8.092 1.00 1.74 C ATOM 1008 CG PRO A 76 12.318 15.599 -8.353 1.00 1.86 C ATOM 1009 CD PRO A 76 12.980 15.351 -7.020 1.00 1.77 C ATOM 0 HA PRO A 76 10.297 17.036 -6.143 1.00 1.42 H new ATOM 0 HB2 PRO A 76 10.399 16.424 -8.827 1.00 1.74 H new ATOM 0 HB3 PRO A 76 11.527 17.579 -8.146 1.00 1.74 H new ATOM 0 HG2 PRO A 76 11.951 14.668 -8.785 1.00 1.86 H new ATOM 0 HG3 PRO A 76 13.025 16.024 -9.065 1.00 1.86 H new ATOM 0 HD2 PRO A 76 13.335 14.324 -6.933 1.00 1.77 H new ATOM 0 HD3 PRO A 76 13.843 16.000 -6.874 1.00 1.77 H new ATOM 1017 N ASP A 77 9.556 14.275 -5.747 1.00 0.99 N ATOM 1018 CA ASP A 77 8.533 13.236 -5.655 1.00 0.91 C ATOM 1019 C ASP A 77 8.135 12.995 -4.195 1.00 0.82 C ATOM 1020 O ASP A 77 6.952 13.001 -3.856 1.00 0.90 O ATOM 1021 CB ASP A 77 9.039 11.936 -6.285 1.00 1.16 C ATOM 1022 CG ASP A 77 9.051 11.992 -7.801 1.00 1.92 C ATOM 1023 OD1 ASP A 77 10.065 12.446 -8.371 1.00 2.50 O ATOM 1024 OD2 ASP A 77 8.044 11.582 -8.417 1.00 2.65 O ATOM 0 H ASP A 77 10.236 14.260 -4.986 1.00 0.99 H new ATOM 0 HA ASP A 77 7.652 13.573 -6.201 1.00 0.91 H new ATOM 0 HB2 ASP A 77 10.047 11.729 -5.924 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.408 11.109 -5.960 1.00 1.16 H new ATOM 1029 N GLY A 78 9.136 12.789 -3.337 1.00 0.88 N ATOM 1030 CA GLY A 78 8.885 12.555 -1.918 1.00 0.87 C ATOM 1031 C GLY A 78 10.126 12.815 -1.076 1.00 0.86 C ATOM 1032 O GLY A 78 11.092 13.391 -1.572 1.00 0.99 O ATOM 0 H GLY A 78 10.121 12.780 -3.600 1.00 0.88 H new ATOM 0 HA2 GLY A 78 8.074 13.201 -1.581 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.555 11.527 -1.772 1.00 0.87 H new ATOM 1036 N CYS A 79 10.124 12.374 0.190 1.00 0.79 N ATOM 1037 CA CYS A 79 11.290 12.576 1.060 1.00 0.80 C ATOM 1038 C CYS A 79 11.771 11.233 1.631 1.00 0.78 C ATOM 1039 O CYS A 79 11.045 10.239 1.623 1.00 0.89 O ATOM 1040 CB CYS A 79 11.020 13.571 2.200 1.00 0.94 C ATOM 1041 SG CYS A 79 9.925 14.991 1.812 1.00 1.34 S ATOM 0 H CYS A 79 9.344 11.884 0.628 1.00 0.79 H new ATOM 0 HA CYS A 79 12.073 13.010 0.439 1.00 0.80 H new ATOM 0 HB2 CYS A 79 10.583 13.022 3.034 1.00 0.94 H new ATOM 0 HB3 CYS A 79 11.977 13.963 2.543 1.00 0.94 H new ATOM 1046 N HIS A 80 13.056 11.204 2.003 1.00 0.71 N ATOM 1047 CA HIS A 80 13.713 9.983 2.460 1.00 0.76 C ATOM 1048 C HIS A 80 14.650 10.334 3.622 1.00 0.70 C ATOM 1049 O HIS A 80 15.500 11.218 3.498 1.00 0.67 O ATOM 1050 CB HIS A 80 14.447 9.321 1.281 1.00 0.87 C ATOM 1051 CG HIS A 80 15.542 8.361 1.651 1.00 0.99 C ATOM 1052 ND1 HIS A 80 15.509 7.177 2.311 1.00 1.64 N flip ATOM 1053 CD2 HIS A 80 16.864 8.584 1.335 1.00 1.76 C flip ATOM 1054 CE1 HIS A 80 16.801 6.715 2.378 1.00 2.09 C flip ATOM 1055 NE2 HIS A 80 17.598 7.582 1.782 1.00 2.17 N flip ATOM 0 H HIS A 80 13.663 12.024 1.994 1.00 0.71 H new ATOM 0 HA HIS A 80 12.985 9.259 2.827 1.00 0.76 H new ATOM 0 HB2 HIS A 80 13.714 8.791 0.673 1.00 0.87 H new ATOM 0 HB3 HIS A 80 14.873 10.106 0.655 1.00 0.87 H new ATOM 0 HD2 HIS A 80 17.242 9.445 0.804 1.00 1.76 H new ATOM 0 HE1 HIS A 80 17.114 5.792 2.843 1.00 2.09 H new ATOM 0 HE2 HIS A 80 18.609 7.493 1.684 1.00 2.17 H new ATOM 1064 N GLU A 81 14.460 9.657 4.760 1.00 0.75 N ATOM 1065 CA GLU A 81 15.248 9.915 5.970 1.00 0.77 C ATOM 1066 C GLU A 81 16.751 9.977 5.670 1.00 0.72 C ATOM 1067 O GLU A 81 17.299 9.130 4.965 1.00 0.92 O ATOM 1068 CB GLU A 81 14.877 8.873 7.066 1.00 0.94 C ATOM 1069 CG GLU A 81 16.007 7.992 7.608 1.00 1.70 C ATOM 1070 CD GLU A 81 15.809 7.633 9.069 1.00 2.35 C ATOM 1071 OE1 GLU A 81 16.252 8.413 9.938 1.00 2.71 O ATOM 1072 OE2 GLU A 81 15.210 6.571 9.343 1.00 3.05 O ATOM 0 H GLU A 81 13.762 8.921 4.868 1.00 0.75 H new ATOM 0 HA GLU A 81 14.997 10.902 6.358 1.00 0.77 H new ATOM 0 HB2 GLU A 81 14.435 9.409 7.906 1.00 0.94 H new ATOM 0 HB3 GLU A 81 14.104 8.220 6.662 1.00 0.94 H new ATOM 0 HG2 GLU A 81 16.067 7.078 7.017 1.00 1.70 H new ATOM 0 HG3 GLU A 81 16.958 8.511 7.490 1.00 1.70 H new ATOM 1079 N ASP A 82 17.390 11.008 6.205 1.00 0.76 N ATOM 1080 CA ASP A 82 18.807 11.221 5.995 1.00 0.77 C ATOM 1081 C ASP A 82 19.471 11.744 7.287 1.00 0.96 C ATOM 1082 O ASP A 82 19.080 12.790 7.805 1.00 1.21 O ATOM 1083 CB ASP A 82 18.983 12.182 4.797 1.00 0.86 C ATOM 1084 CG ASP A 82 18.807 13.652 5.154 1.00 1.34 C ATOM 1085 OD1 ASP A 82 19.755 14.248 5.708 1.00 1.82 O ATOM 1086 OD2 ASP A 82 17.722 14.204 4.874 1.00 2.02 O ATOM 0 H ASP A 82 16.942 11.712 6.791 1.00 0.76 H new ATOM 0 HA ASP A 82 19.308 10.283 5.756 1.00 0.77 H new ATOM 0 HB2 ASP A 82 19.976 12.038 4.371 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.263 11.917 4.023 1.00 0.86 H new ATOM 1091 N PRO A 83 20.463 11.008 7.848 1.00 1.15 N ATOM 1092 CA PRO A 83 21.137 11.398 9.096 1.00 1.42 C ATOM 1093 C PRO A 83 22.186 12.496 8.916 1.00 1.28 C ATOM 1094 O PRO A 83 22.649 13.082 9.895 1.00 1.40 O ATOM 1095 CB PRO A 83 21.816 10.101 9.570 1.00 1.81 C ATOM 1096 CG PRO A 83 21.392 9.031 8.612 1.00 1.93 C ATOM 1097 CD PRO A 83 20.989 9.732 7.347 1.00 1.42 C ATOM 0 HA PRO A 83 20.419 11.816 9.802 1.00 1.42 H new ATOM 0 HB2 PRO A 83 22.901 10.210 9.576 1.00 1.81 H new ATOM 0 HB3 PRO A 83 21.514 9.854 10.588 1.00 1.81 H new ATOM 0 HG2 PRO A 83 22.207 8.331 8.426 1.00 1.93 H new ATOM 0 HG3 PRO A 83 20.562 8.453 9.018 1.00 1.93 H new ATOM 0 HD2 PRO A 83 21.835 9.877 6.676 1.00 1.42 H new ATOM 0 HD3 PRO A 83 20.236 9.171 6.794 1.00 1.42 H new ATOM 1105 N ALA A 84 22.570 12.767 7.674 1.00 1.13 N ATOM 1106 CA ALA A 84 23.578 13.789 7.395 1.00 1.17 C ATOM 1107 C ALA A 84 23.096 15.182 7.796 1.00 1.20 C ATOM 1108 O ALA A 84 23.870 15.996 8.300 1.00 1.53 O ATOM 1109 CB ALA A 84 23.956 13.764 5.922 1.00 1.21 C ATOM 0 H ALA A 84 22.202 12.297 6.847 1.00 1.13 H new ATOM 0 HA ALA A 84 24.459 13.560 7.995 1.00 1.17 H new ATOM 0 HB1 ALA A 84 24.707 14.529 5.726 1.00 1.21 H new ATOM 0 HB2 ALA A 84 24.361 12.785 5.667 1.00 1.21 H new ATOM 0 HB3 ALA A 84 23.072 13.960 5.316 1.00 1.21 H new ATOM 1115 N CYS A 85 21.816 15.447 7.568 1.00 1.02 N ATOM 1116 CA CYS A 85 21.221 16.739 7.901 1.00 1.19 C ATOM 1117 C CYS A 85 20.621 16.709 9.319 1.00 1.46 C ATOM 1118 O CYS A 85 19.461 17.062 9.512 1.00 1.88 O ATOM 1119 CB CYS A 85 20.137 17.084 6.859 1.00 1.15 C ATOM 1120 SG CYS A 85 20.719 17.767 5.268 1.00 1.42 S ATOM 0 H CYS A 85 21.165 14.781 7.151 1.00 1.02 H new ATOM 0 HA CYS A 85 21.994 17.507 7.881 1.00 1.19 H new ATOM 0 HB2 CYS A 85 19.563 16.180 6.652 1.00 1.15 H new ATOM 0 HB3 CYS A 85 19.450 17.802 7.307 1.00 1.15 H new ATOM 1125 N ASP A 86 21.400 16.255 10.317 1.00 1.53 N ATOM 1126 CA ASP A 86 20.873 16.151 11.687 1.00 1.90 C ATOM 1127 C ASP A 86 21.783 16.717 12.812 1.00 1.82 C ATOM 1128 O ASP A 86 21.822 16.150 13.905 1.00 2.29 O ATOM 1129 CB ASP A 86 20.570 14.675 11.978 1.00 2.43 C ATOM 1130 CG ASP A 86 19.383 14.158 11.188 1.00 3.07 C ATOM 1131 OD1 ASP A 86 18.448 14.945 10.935 1.00 3.60 O ATOM 1132 OD2 ASP A 86 19.389 12.964 10.821 1.00 3.47 O ATOM 0 H ASP A 86 22.371 15.962 10.206 1.00 1.53 H new ATOM 0 HA ASP A 86 19.983 16.779 11.708 1.00 1.90 H new ATOM 0 HB2 ASP A 86 21.448 14.074 11.742 1.00 2.43 H new ATOM 0 HB3 ASP A 86 20.375 14.551 13.043 1.00 2.43 H new ATOM 1363 N CYS B 110 -1.764 2.055 17.405 1.00 2.52 N ATOM 1364 CA CYS B 110 -1.751 3.121 16.413 1.00 1.89 C ATOM 1365 C CYS B 110 -1.189 4.423 16.974 1.00 1.69 C ATOM 1366 O CYS B 110 -1.912 5.408 17.126 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.146 3.303 15.819 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.780 1.803 14.983 1.00 2.61 S ATOM 0 HA CYS B 110 -1.076 2.828 15.609 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -3.837 3.587 16.613 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.125 4.126 15.105 1.00 2.23 H new ATOM 0 HG CYS B 110 -4.967 2.039 14.509 1.00 2.61 H new ATOM 1373 N LEU B 111 0.127 4.411 17.257 1.00 1.46 N ATOM 1374 CA LEU B 111 0.864 5.582 17.786 1.00 1.37 C ATOM 1375 C LEU B 111 0.361 6.908 17.193 1.00 1.20 C ATOM 1376 O LEU B 111 0.604 7.190 16.013 1.00 1.18 O ATOM 1377 CB LEU B 111 2.376 5.455 17.529 1.00 1.54 C ATOM 1378 CG LEU B 111 2.902 4.040 17.265 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.624 3.632 15.827 1.00 2.47 C ATOM 1380 CD2 LEU B 111 4.392 3.961 17.565 1.00 2.26 C ATOM 0 H LEU B 111 0.714 3.587 17.126 1.00 1.46 H new ATOM 0 HA LEU B 111 0.678 5.594 18.860 1.00 1.37 H new ATOM 0 HB2 LEU B 111 2.632 6.080 16.674 1.00 1.54 H new ATOM 0 HB3 LEU B 111 2.905 5.862 18.391 1.00 1.54 H new ATOM 0 HG LEU B 111 2.382 3.348 17.927 1.00 1.90 H new ATOM 0 HD11 LEU B 111 3.003 2.625 15.655 1.00 2.47 H new ATOM 0 HD12 LEU B 111 1.550 3.651 15.645 1.00 2.47 H new ATOM 0 HD13 LEU B 111 3.120 4.327 15.149 1.00 2.47 H new ATOM 0 HD21 LEU B 111 4.749 2.949 17.372 1.00 2.26 H new ATOM 0 HD22 LEU B 111 4.929 4.663 16.927 1.00 2.26 H new ATOM 0 HD23 LEU B 111 4.567 4.214 18.611 1.00 2.26 H new ATOM 1392 N PRO B 112 -0.341 7.735 18.001 1.00 1.19 N ATOM 1393 CA PRO B 112 -0.888 9.021 17.551 1.00 1.12 C ATOM 1394 C PRO B 112 0.061 10.206 17.748 1.00 1.03 C ATOM 1395 O PRO B 112 0.721 10.291 18.780 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.074 9.184 18.498 1.00 1.30 C ATOM 1397 CG PRO B 112 -1.591 8.625 19.787 1.00 1.47 C ATOM 1398 CD PRO B 112 -0.685 7.477 19.425 1.00 1.37 C ATOM 0 HA PRO B 112 -1.106 9.016 16.483 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -2.361 10.231 18.600 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -2.950 8.647 18.135 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -1.055 9.379 20.363 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -2.424 8.286 20.403 1.00 1.47 H new ATOM 0 HD2 PRO B 112 0.205 7.455 20.054 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.186 6.517 19.548 1.00 1.37 H new ATOM 1406 N CYS B 113 0.142 11.125 16.766 1.00 0.94 N ATOM 1407 CA CYS B 113 1.015 12.297 16.876 1.00 0.90 C ATOM 1408 C CYS B 113 0.375 13.409 16.031 1.00 0.91 C ATOM 1409 O CYS B 113 -0.583 13.130 15.304 1.00 1.00 O ATOM 1410 CB CYS B 113 2.483 11.965 16.425 1.00 0.83 C ATOM 1411 SG CYS B 113 2.950 12.388 14.682 1.00 0.87 S ATOM 0 H CYS B 113 -0.386 11.074 15.895 1.00 0.94 H new ATOM 0 HA CYS B 113 1.104 12.623 17.912 1.00 0.90 H new ATOM 0 HB2 CYS B 113 3.168 12.486 17.094 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.647 10.897 16.569 1.00 0.83 H new ATOM 1416 N GLY B 114 0.883 14.636 16.076 1.00 0.92 N ATOM 1417 CA GLY B 114 0.301 15.703 15.245 1.00 0.99 C ATOM 1418 C GLY B 114 -1.075 16.190 15.713 1.00 1.11 C ATOM 1419 O GLY B 114 -1.475 15.912 16.844 1.00 1.16 O ATOM 0 H GLY B 114 1.672 14.919 16.657 1.00 0.92 H new ATOM 0 HA2 GLY B 114 0.987 16.550 15.230 1.00 0.99 H new ATOM 0 HA3 GLY B 114 0.216 15.343 14.220 1.00 0.99 H new ATOM 1423 N PRO B 115 -1.844 16.911 14.842 1.00 1.19 N ATOM 1424 CA PRO B 115 -3.203 17.426 15.149 1.00 1.33 C ATOM 1425 C PRO B 115 -4.254 16.322 15.261 1.00 1.40 C ATOM 1426 O PRO B 115 -4.351 15.414 14.433 1.00 1.57 O ATOM 1427 CB PRO B 115 -3.485 18.327 13.964 1.00 1.46 C ATOM 1428 CG PRO B 115 -2.919 17.484 12.936 1.00 1.39 C ATOM 1429 CD PRO B 115 -1.523 17.239 13.441 1.00 1.21 C ATOM 0 HA PRO B 115 -3.246 17.927 16.116 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -4.548 18.520 13.819 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -2.992 19.296 14.039 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -3.477 16.555 12.822 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -2.917 17.977 11.964 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -1.023 16.422 12.920 1.00 1.21 H new ATOM 0 HD3 PRO B 115 -0.881 18.115 13.349 1.00 1.21 H new ATOM 1437 N GLY B 116 -4.966 16.411 16.329 1.00 1.35 N ATOM 1438 CA GLY B 116 -5.998 15.462 16.740 1.00 1.48 C ATOM 1439 C GLY B 116 -5.355 14.167 17.171 1.00 1.44 C ATOM 1440 O GLY B 116 -5.951 13.340 17.862 1.00 1.70 O ATOM 0 H GLY B 116 -4.856 17.180 16.989 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -6.584 15.879 17.559 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -6.688 15.280 15.916 1.00 1.48 H new ATOM 1444 N GLY B 117 -4.104 14.042 16.771 1.00 1.29 N ATOM 1445 CA GLY B 117 -3.333 12.933 17.098 1.00 1.26 C ATOM 1446 C GLY B 117 -3.655 11.712 16.287 1.00 1.26 C ATOM 1447 O GLY B 117 -3.216 10.613 16.573 1.00 1.38 O ATOM 0 H GLY B 117 -3.619 14.736 16.203 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -2.280 13.181 16.962 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -3.473 12.704 18.154 1.00 1.26 H new ATOM 1451 N LYS B 118 -4.355 11.948 15.178 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.671 10.894 14.202 1.00 1.25 C ATOM 1453 C LYS B 118 -3.388 10.560 13.421 1.00 1.15 C ATOM 1454 O LYS B 118 -3.391 9.818 12.440 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.754 11.353 13.196 1.00 1.30 C ATOM 1456 CG LYS B 118 -6.472 12.661 13.535 1.00 1.36 C ATOM 1457 CD LYS B 118 -7.977 12.505 13.512 1.00 1.78 C ATOM 1458 CE LYS B 118 -8.652 13.790 13.057 1.00 1.95 C ATOM 1459 NZ LYS B 118 -10.092 13.585 12.739 1.00 2.54 N ATOM 0 H LYS B 118 -4.719 12.867 14.928 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.051 10.026 14.741 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.289 11.460 12.216 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.500 10.563 13.110 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -6.158 13.002 14.522 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -6.177 13.432 12.823 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -8.251 11.689 12.843 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -8.333 12.235 14.506 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -8.558 14.544 13.838 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -8.138 14.177 12.177 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -10.512 14.486 12.433 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -10.183 12.884 11.976 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -10.589 13.241 13.585 1.00 2.54 H new ATOM 1473 N GLY B 119 -2.311 11.158 13.883 1.00 1.04 N ATOM 1474 CA GLY B 119 -1.044 10.992 13.265 1.00 0.97 C ATOM 1475 C GLY B 119 -0.223 9.841 13.779 1.00 0.93 C ATOM 1476 O GLY B 119 -0.220 9.557 14.959 1.00 1.02 O ATOM 0 H GLY B 119 -2.305 11.770 14.699 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -1.195 10.859 12.194 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -0.472 11.911 13.394 1.00 0.97 H new ATOM 1480 N ARG B 120 0.164 8.982 12.888 1.00 0.87 N ATOM 1481 CA ARG B 120 0.806 7.743 13.307 1.00 0.87 C ATOM 1482 C ARG B 120 2.274 7.681 12.889 1.00 0.80 C ATOM 1483 O ARG B 120 2.628 8.063 11.782 1.00 0.79 O ATOM 1484 CB ARG B 120 -0.008 6.575 12.821 1.00 0.95 C ATOM 1485 CG ARG B 120 -0.840 5.974 13.938 1.00 1.16 C ATOM 1486 CD ARG B 120 -2.221 6.611 14.011 1.00 1.60 C ATOM 1487 NE ARG B 120 -3.278 5.664 13.658 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.523 5.720 14.135 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -4.877 6.667 14.997 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -5.417 4.821 13.747 1.00 2.89 N ATOM 0 H ARG B 120 0.056 9.098 11.880 1.00 0.87 H new ATOM 0 HA ARG B 120 0.832 7.702 14.396 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -0.663 6.898 12.012 1.00 0.95 H new ATOM 0 HB3 ARG B 120 0.655 5.814 12.410 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -0.941 4.900 13.780 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -0.325 6.109 14.889 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -2.394 6.989 15.019 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -2.262 7.468 13.338 1.00 1.60 H new ATOM 0 HE ARG B 120 -3.049 4.914 13.006 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -4.194 7.361 15.301 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.832 6.700 15.355 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -5.152 4.090 13.086 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -6.370 4.860 14.109 1.00 2.89 H new ATOM 1504 N CYS B 121 3.136 7.231 13.799 1.00 0.82 N ATOM 1505 CA CYS B 121 4.571 7.183 13.508 1.00 0.81 C ATOM 1506 C CYS B 121 5.052 5.765 13.223 1.00 0.85 C ATOM 1507 O CYS B 121 4.831 4.839 14.005 1.00 1.05 O ATOM 1508 CB CYS B 121 5.365 7.773 14.685 1.00 0.91 C ATOM 1509 SG CYS B 121 6.854 8.722 14.209 1.00 1.07 S ATOM 0 H CYS B 121 2.875 6.900 14.728 1.00 0.82 H new ATOM 0 HA CYS B 121 4.741 7.777 12.610 1.00 0.81 H new ATOM 0 HB2 CYS B 121 4.706 8.423 15.260 1.00 0.91 H new ATOM 0 HB3 CYS B 121 5.666 6.960 15.346 1.00 0.91 H new ATOM 1514 N PHE B 122 5.733 5.627 12.086 1.00 0.76 N ATOM 1515 CA PHE B 122 6.286 4.353 11.649 1.00 0.84 C ATOM 1516 C PHE B 122 7.782 4.324 11.951 1.00 0.95 C ATOM 1517 O PHE B 122 8.309 3.343 12.476 1.00 1.44 O ATOM 1518 CB PHE B 122 6.056 4.154 10.143 1.00 0.86 C ATOM 1519 CG PHE B 122 4.606 4.175 9.725 1.00 0.86 C ATOM 1520 CD1 PHE B 122 3.844 5.328 9.856 1.00 1.42 C ATOM 1521 CD2 PHE B 122 4.007 3.041 9.191 1.00 1.41 C ATOM 1522 CE1 PHE B 122 2.517 5.346 9.465 1.00 1.50 C ATOM 1523 CE2 PHE B 122 2.683 3.056 8.801 1.00 1.53 C ATOM 1524 CZ PHE B 122 1.937 4.208 8.939 1.00 1.15 C ATOM 0 H PHE B 122 5.915 6.398 11.444 1.00 0.76 H new ATOM 0 HA PHE B 122 5.786 3.546 12.185 1.00 0.84 H new ATOM 0 HB2 PHE B 122 6.589 4.935 9.600 1.00 0.86 H new ATOM 0 HB3 PHE B 122 6.494 3.202 9.844 1.00 0.86 H new ATOM 0 HD1 PHE B 122 4.292 6.220 10.268 1.00 1.42 H new ATOM 0 HD2 PHE B 122 4.585 2.136 9.080 1.00 1.41 H new ATOM 0 HE1 PHE B 122 1.935 6.249 9.571 1.00 1.50 H new ATOM 0 HE2 PHE B 122 2.231 2.166 8.388 1.00 1.53 H new ATOM 0 HZ PHE B 122 0.900 4.220 8.636 1.00 1.15 H new ATOM 1534 N GLY B 123 8.452 5.428 11.620 1.00 0.84 N ATOM 1535 CA GLY B 123 9.879 5.548 11.863 1.00 0.89 C ATOM 1536 C GLY B 123 10.206 6.745 12.745 1.00 0.89 C ATOM 1537 O GLY B 123 9.566 6.934 13.781 1.00 0.90 O ATOM 0 H GLY B 123 8.026 6.246 11.185 1.00 0.84 H new ATOM 0 HA2 GLY B 123 10.244 4.637 12.337 1.00 0.89 H new ATOM 0 HA3 GLY B 123 10.402 5.644 10.912 1.00 0.89 H new ATOM 1541 N PRO B 124 11.199 7.581 12.372 1.00 1.02 N ATOM 1542 CA PRO B 124 11.584 8.749 13.146 1.00 1.08 C ATOM 1543 C PRO B 124 10.946 10.031 12.606 1.00 0.96 C ATOM 1544 O PRO B 124 10.016 10.570 13.207 1.00 1.02 O ATOM 1545 CB PRO B 124 13.100 8.760 12.955 1.00 1.33 C ATOM 1546 CG PRO B 124 13.331 8.152 11.598 1.00 1.51 C ATOM 1547 CD PRO B 124 12.043 7.471 11.175 1.00 1.26 C ATOM 0 HA PRO B 124 11.264 8.707 14.187 1.00 1.08 H new ATOM 0 HB2 PRO B 124 13.496 9.774 13.005 1.00 1.33 H new ATOM 0 HB3 PRO B 124 13.599 8.185 13.735 1.00 1.33 H new ATOM 0 HG2 PRO B 124 13.613 8.920 10.877 1.00 1.51 H new ATOM 0 HG3 PRO B 124 14.150 7.433 11.635 1.00 1.51 H new ATOM 0 HD2 PRO B 124 11.590 7.965 10.315 1.00 1.26 H new ATOM 0 HD3 PRO B 124 12.210 6.431 10.894 1.00 1.26 H new ATOM 1555 N SER B 125 11.434 10.504 11.458 1.00 0.97 N ATOM 1556 CA SER B 125 10.888 11.705 10.831 1.00 0.92 C ATOM 1557 C SER B 125 9.754 11.312 9.894 1.00 0.76 C ATOM 1558 O SER B 125 9.704 11.743 8.748 1.00 0.78 O ATOM 1559 CB SER B 125 11.985 12.470 10.060 1.00 1.12 C ATOM 1560 OG SER B 125 12.557 13.483 10.870 1.00 1.25 O ATOM 0 H SER B 125 12.204 10.074 10.946 1.00 0.97 H new ATOM 0 HA SER B 125 10.504 12.367 11.607 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.760 11.775 9.737 1.00 1.12 H new ATOM 0 HB3 SER B 125 11.560 12.914 9.160 1.00 1.12 H new ATOM 0 HG SER B 125 13.251 13.954 10.363 1.00 1.25 H new ATOM 1566 N ILE B 126 8.860 10.455 10.385 1.00 0.70 N ATOM 1567 CA ILE B 126 7.741 9.984 9.580 1.00 0.60 C ATOM 1568 C ILE B 126 6.514 9.634 10.454 1.00 0.57 C ATOM 1569 O ILE B 126 6.555 8.712 11.268 1.00 0.74 O ATOM 1570 CB ILE B 126 8.218 8.799 8.677 1.00 0.60 C ATOM 1571 CG1 ILE B 126 8.880 9.371 7.424 1.00 0.79 C ATOM 1572 CG2 ILE B 126 7.104 7.825 8.282 1.00 0.72 C ATOM 1573 CD1 ILE B 126 9.729 8.370 6.671 1.00 0.85 C ATOM 0 H ILE B 126 8.891 10.076 11.331 1.00 0.70 H new ATOM 0 HA ILE B 126 7.402 10.786 8.924 1.00 0.60 H new ATOM 0 HB ILE B 126 8.924 8.215 9.267 1.00 0.60 H new ATOM 0 HG12 ILE B 126 8.106 9.752 6.757 1.00 0.79 H new ATOM 0 HG13 ILE B 126 9.502 10.220 7.708 1.00 0.79 H new ATOM 0 HG21 ILE B 126 7.517 7.033 7.657 1.00 0.72 H new ATOM 0 HG22 ILE B 126 6.668 7.388 9.180 1.00 0.72 H new ATOM 0 HG23 ILE B 126 6.333 8.360 7.727 1.00 0.72 H new ATOM 0 HD11 ILE B 126 10.165 8.849 5.795 1.00 0.85 H new ATOM 0 HD12 ILE B 126 10.526 8.007 7.320 1.00 0.85 H new ATOM 0 HD13 ILE B 126 9.108 7.532 6.355 1.00 0.85 H new ATOM 1585 N CYS B 127 5.423 10.375 10.237 1.00 0.54 N ATOM 1586 CA CYS B 127 4.148 10.175 10.948 1.00 0.53 C ATOM 1587 C CYS B 127 3.026 10.334 9.911 1.00 0.53 C ATOM 1588 O CYS B 127 2.803 11.436 9.411 1.00 0.56 O ATOM 1589 CB CYS B 127 4.003 11.227 12.072 1.00 0.56 C ATOM 1590 SG CYS B 127 3.280 10.645 13.663 1.00 0.89 S ATOM 0 H CYS B 127 5.395 11.137 9.559 1.00 0.54 H new ATOM 0 HA CYS B 127 4.104 9.189 11.410 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.989 11.642 12.278 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.386 12.043 11.696 1.00 0.56 H new ATOM 1595 N CYS B 128 2.365 9.230 9.532 1.00 0.53 N ATOM 1596 CA CYS B 128 1.334 9.299 8.486 1.00 0.56 C ATOM 1597 C CYS B 128 -0.051 8.753 8.887 1.00 0.60 C ATOM 1598 O CYS B 128 -0.173 7.646 9.413 1.00 0.76 O ATOM 1599 CB CYS B 128 1.763 8.597 7.176 1.00 0.63 C ATOM 1600 SG CYS B 128 3.469 7.935 7.100 1.00 1.23 S ATOM 0 H CYS B 128 2.520 8.301 9.923 1.00 0.53 H new ATOM 0 HA CYS B 128 1.233 10.373 8.329 1.00 0.56 H new ATOM 0 HB2 CYS B 128 1.073 7.774 6.993 1.00 0.63 H new ATOM 0 HB3 CYS B 128 1.639 9.305 6.357 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.096 9.581 8.642 1.00 0.60 N ATOM 1606 CA GLY B 129 -2.442 9.210 8.973 1.00 0.65 C ATOM 1607 C GLY B 129 -3.360 9.080 7.765 1.00 0.66 C ATOM 1608 O GLY B 129 -2.970 9.268 6.620 1.00 0.64 O ATOM 0 H GLY B 129 -1.005 10.503 8.216 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -2.426 8.261 9.509 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -2.857 9.953 9.654 1.00 0.65 H new ATOM 1612 N ASP B 130 -4.584 8.763 8.088 1.00 0.72 N ATOM 1613 CA ASP B 130 -5.695 8.559 7.181 1.00 0.76 C ATOM 1614 C ASP B 130 -6.135 9.824 6.474 1.00 0.77 C ATOM 1615 O ASP B 130 -6.487 9.788 5.290 1.00 0.81 O ATOM 1616 CB ASP B 130 -6.878 7.944 7.927 1.00 0.84 C ATOM 1617 CG ASP B 130 -7.842 7.223 7.003 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -8.757 7.883 6.465 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -7.685 5.998 6.819 1.00 2.35 O ATOM 0 H ASP B 130 -4.857 8.629 9.062 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.340 7.876 6.410 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -6.506 7.244 8.675 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.412 8.729 8.462 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.052 10.951 7.167 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.398 12.236 6.481 1.00 0.85 C ATOM 1626 C GLU B 131 -5.419 13.344 6.827 1.00 0.89 C ATOM 1627 O GLU B 131 -5.679 14.528 6.643 1.00 1.03 O ATOM 1628 CB GLU B 131 -7.812 12.721 6.890 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.616 11.771 7.777 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.108 12.052 7.732 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -10.525 13.130 8.207 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.859 11.197 7.216 1.00 1.63 O ATOM 0 H GLU B 131 -5.769 11.028 8.144 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.357 12.029 5.412 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -7.711 13.674 7.410 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.385 12.912 5.983 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.434 10.744 7.461 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.265 11.856 8.805 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.284 12.895 7.339 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.228 13.722 7.806 1.00 0.89 C ATOM 1641 C LEU B 132 -1.955 13.347 7.102 1.00 0.83 C ATOM 1642 O LEU B 132 -0.968 14.077 7.122 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.134 13.471 9.293 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.243 14.704 10.191 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.560 14.291 11.620 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -1.977 15.542 10.133 1.00 1.38 C ATOM 0 H LEU B 132 -4.084 11.900 7.436 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.404 14.779 7.608 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -3.921 12.771 9.573 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.183 12.980 9.499 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.061 15.322 9.822 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.635 15.179 12.247 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.507 13.751 11.641 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.766 13.646 11.997 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.086 16.411 10.782 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.129 14.944 10.467 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -1.806 15.873 9.109 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.015 12.201 6.451 1.00 0.72 N ATOM 1659 CA GLY B 133 -0.925 11.716 5.700 1.00 0.70 C ATOM 1660 C GLY B 133 0.390 11.641 6.476 1.00 0.66 C ATOM 1661 O GLY B 133 0.352 11.515 7.684 1.00 0.65 O ATOM 0 H GLY B 133 -2.835 11.594 6.442 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.170 10.722 5.326 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -0.784 12.358 4.830 1.00 0.70 H new ATOM 1665 N CYS B 134 1.532 11.748 5.784 1.00 0.69 N ATOM 1666 CA CYS B 134 2.854 11.664 6.444 1.00 0.68 C ATOM 1667 C CYS B 134 3.570 12.976 6.619 1.00 0.64 C ATOM 1668 O CYS B 134 3.918 13.645 5.651 1.00 0.62 O ATOM 1669 CB CYS B 134 3.775 10.677 5.733 1.00 0.72 C ATOM 1670 SG CYS B 134 4.665 9.567 6.882 1.00 1.08 S ATOM 0 H CYS B 134 1.574 11.892 4.775 1.00 0.69 H new ATOM 0 HA CYS B 134 2.619 11.309 7.447 1.00 0.68 H new ATOM 0 HB2 CYS B 134 3.187 10.076 5.040 1.00 0.72 H new ATOM 0 HB3 CYS B 134 4.501 11.231 5.138 1.00 0.72 H new ATOM 1675 N PHE B 135 3.903 13.261 7.876 1.00 0.67 N ATOM 1676 CA PHE B 135 4.714 14.407 8.161 1.00 0.66 C ATOM 1677 C PHE B 135 6.083 13.808 8.255 1.00 0.64 C ATOM 1678 O PHE B 135 6.411 13.162 9.253 1.00 0.64 O ATOM 1679 CB PHE B 135 4.354 15.140 9.474 1.00 0.70 C ATOM 1680 CG PHE B 135 3.085 14.699 10.165 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.899 14.559 9.466 1.00 0.96 C ATOM 1682 CD2 PHE B 135 3.084 14.449 11.529 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.737 14.175 10.110 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.927 14.063 12.179 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.752 13.927 11.468 1.00 1.23 C ATOM 0 H PHE B 135 3.622 12.715 8.690 1.00 0.67 H new ATOM 0 HA PHE B 135 4.591 15.180 7.402 1.00 0.66 H new ATOM 0 HB2 PHE B 135 5.183 15.018 10.171 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.273 16.206 9.259 1.00 0.70 H new ATOM 0 HD1 PHE B 135 1.881 14.752 8.404 1.00 0.96 H new ATOM 0 HD2 PHE B 135 4.000 14.557 12.091 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.181 14.069 9.551 1.00 1.19 H new ATOM 0 HE2 PHE B 135 1.942 13.868 13.241 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.154 13.627 11.973 1.00 1.23 H new ATOM 1695 N VAL B 136 6.868 13.963 7.204 1.00 0.66 N ATOM 1696 CA VAL B 136 8.173 13.354 7.196 1.00 0.68 C ATOM 1697 C VAL B 136 9.186 14.315 7.768 1.00 0.71 C ATOM 1698 O VAL B 136 9.858 15.071 7.058 1.00 0.74 O ATOM 1699 CB VAL B 136 8.588 12.842 5.795 1.00 0.73 C ATOM 1700 CG1 VAL B 136 9.732 11.844 5.929 1.00 0.75 C ATOM 1701 CG2 VAL B 136 7.395 12.198 5.064 1.00 0.74 C ATOM 0 H VAL B 136 6.627 14.493 6.367 1.00 0.66 H new ATOM 0 HA VAL B 136 8.133 12.467 7.829 1.00 0.68 H new ATOM 0 HB VAL B 136 8.923 13.693 5.201 1.00 0.73 H new ATOM 0 HG11 VAL B 136 10.021 11.486 4.941 1.00 0.75 H new ATOM 0 HG12 VAL B 136 10.585 12.330 6.402 1.00 0.75 H new ATOM 0 HG13 VAL B 136 9.410 11.001 6.540 1.00 0.75 H new ATOM 0 HG21 VAL B 136 7.716 11.848 4.083 1.00 0.74 H new ATOM 0 HG22 VAL B 136 7.023 11.355 5.647 1.00 0.74 H new ATOM 0 HG23 VAL B 136 6.601 12.935 4.944 1.00 0.74 H new ATOM 1711 N GLY B 137 9.251 14.274 9.089 1.00 0.72 N ATOM 1712 CA GLY B 137 10.153 15.141 9.828 1.00 0.76 C ATOM 1713 C GLY B 137 9.598 16.544 9.957 1.00 0.73 C ATOM 1714 O GLY B 137 9.996 17.449 9.225 1.00 0.83 O ATOM 0 H GLY B 137 8.691 13.651 9.670 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.326 14.725 10.821 1.00 0.76 H new ATOM 0 HA3 GLY B 137 11.119 15.176 9.324 1.00 0.76 H new ATOM 1718 N THR B 138 8.656 16.717 10.876 1.00 0.69 N ATOM 1719 CA THR B 138 8.014 18.017 11.089 1.00 0.70 C ATOM 1720 C THR B 138 7.571 18.138 12.540 1.00 0.73 C ATOM 1721 O THR B 138 7.417 17.111 13.204 1.00 0.77 O ATOM 1722 CB THR B 138 6.795 18.180 10.146 1.00 0.73 C ATOM 1723 OG1 THR B 138 5.595 17.738 10.765 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.916 17.425 8.832 1.00 0.77 C ATOM 0 H THR B 138 8.316 15.975 11.488 1.00 0.69 H new ATOM 0 HA THR B 138 8.732 18.806 10.865 1.00 0.70 H new ATOM 0 HB THR B 138 6.770 19.249 9.935 1.00 0.73 H new ATOM 0 HG1 THR B 138 4.825 18.133 10.305 1.00 0.78 H new ATOM 0 HG21 THR B 138 6.022 17.593 8.232 1.00 0.77 H new ATOM 0 HG22 THR B 138 7.790 17.781 8.287 1.00 0.77 H new ATOM 0 HG23 THR B 138 7.023 16.359 9.033 1.00 0.77 H new ATOM 1732 N ALA B 139 7.426 19.383 13.064 1.00 0.79 N ATOM 1733 CA ALA B 139 7.051 19.601 14.480 1.00 0.88 C ATOM 1734 C ALA B 139 6.046 18.559 14.972 1.00 0.83 C ATOM 1735 O ALA B 139 6.189 18.026 16.064 1.00 0.87 O ATOM 1736 CB ALA B 139 6.498 21.008 14.662 1.00 1.04 C ATOM 0 H ALA B 139 7.562 20.242 12.530 1.00 0.79 H new ATOM 0 HA ALA B 139 7.951 19.489 15.084 1.00 0.88 H new ATOM 0 HB1 ALA B 139 6.225 21.159 15.706 1.00 1.04 H new ATOM 0 HB2 ALA B 139 7.256 21.737 14.376 1.00 1.04 H new ATOM 0 HB3 ALA B 139 5.616 21.136 14.034 1.00 1.04 H new ATOM 1742 N GLU B 140 5.025 18.252 14.168 1.00 0.79 N ATOM 1743 CA GLU B 140 4.032 17.245 14.552 1.00 0.79 C ATOM 1744 C GLU B 140 4.728 15.949 15.010 1.00 0.73 C ATOM 1745 O GLU B 140 4.417 15.411 16.070 1.00 0.79 O ATOM 1746 CB GLU B 140 3.092 16.974 13.371 1.00 0.83 C ATOM 1747 CG GLU B 140 2.509 18.240 12.755 1.00 1.27 C ATOM 1748 CD GLU B 140 1.640 19.018 13.727 1.00 1.55 C ATOM 1749 OE1 GLU B 140 0.839 18.384 14.446 1.00 2.31 O ATOM 1750 OE2 GLU B 140 1.760 20.261 13.768 1.00 1.90 O ATOM 0 H GLU B 140 4.865 18.681 13.257 1.00 0.79 H new ATOM 0 HA GLU B 140 3.444 17.622 15.389 1.00 0.79 H new ATOM 0 HB2 GLU B 140 3.635 16.423 12.603 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.276 16.333 13.706 1.00 0.83 H new ATOM 0 HG2 GLU B 140 3.322 18.879 12.409 1.00 1.27 H new ATOM 0 HG3 GLU B 140 1.918 17.974 11.879 1.00 1.27 H new ATOM 1757 N ALA B 141 5.676 15.468 14.197 1.00 0.69 N ATOM 1758 CA ALA B 141 6.427 14.251 14.496 1.00 0.70 C ATOM 1759 C ALA B 141 7.405 14.480 15.660 1.00 0.77 C ATOM 1760 O ALA B 141 8.066 13.572 16.121 1.00 0.87 O ATOM 1761 CB ALA B 141 7.174 13.789 13.255 1.00 0.75 C ATOM 0 H ALA B 141 5.941 15.912 13.318 1.00 0.69 H new ATOM 0 HA ALA B 141 5.724 13.474 14.798 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.732 12.881 13.483 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.461 13.585 12.456 1.00 0.75 H new ATOM 0 HB3 ALA B 141 7.865 14.569 12.935 1.00 0.75 H new ATOM 1767 N LEU B 142 7.468 15.720 16.132 1.00 0.80 N ATOM 1768 CA LEU B 142 8.331 16.036 17.284 1.00 0.93 C ATOM 1769 C LEU B 142 7.939 15.076 18.427 1.00 1.06 C ATOM 1770 O LEU B 142 8.787 14.388 19.019 1.00 1.24 O ATOM 1771 CB LEU B 142 8.227 17.489 17.729 1.00 0.97 C ATOM 1772 CG LEU B 142 9.385 18.373 17.268 1.00 1.01 C ATOM 1773 CD1 LEU B 142 8.993 19.840 17.317 1.00 1.11 C ATOM 1774 CD2 LEU B 142 10.622 18.120 18.120 1.00 1.14 C ATOM 0 H LEU B 142 6.949 16.512 15.752 1.00 0.80 H new ATOM 0 HA LEU B 142 9.373 15.901 16.996 1.00 0.93 H new ATOM 0 HB2 LEU B 142 7.294 17.907 17.351 1.00 0.97 H new ATOM 0 HB3 LEU B 142 8.172 17.520 18.817 1.00 0.97 H new ATOM 0 HG LEU B 142 9.621 18.117 16.235 1.00 1.01 H new ATOM 0 HD11 LEU B 142 9.832 20.452 16.985 1.00 1.11 H new ATOM 0 HD12 LEU B 142 8.138 20.010 16.663 1.00 1.11 H new ATOM 0 HD13 LEU B 142 8.728 20.112 18.339 1.00 1.11 H new ATOM 0 HD21 LEU B 142 11.437 18.758 17.777 1.00 1.14 H new ATOM 0 HD22 LEU B 142 10.398 18.346 19.163 1.00 1.14 H new ATOM 0 HD23 LEU B 142 10.918 17.075 18.031 1.00 1.14 H new ATOM 1786 N ARG B 143 6.622 14.966 18.645 1.00 1.06 N ATOM 1787 CA ARG B 143 6.076 14.033 19.630 1.00 1.26 C ATOM 1788 C ARG B 143 6.273 12.597 19.177 1.00 1.27 C ATOM 1789 O ARG B 143 5.896 11.666 19.895 1.00 1.49 O ATOM 1790 CB ARG B 143 4.575 14.269 19.874 1.00 1.35 C ATOM 1791 CG ARG B 143 3.787 14.685 18.643 1.00 1.36 C ATOM 1792 CD ARG B 143 2.973 15.945 18.910 1.00 1.50 C ATOM 1793 NE ARG B 143 1.653 15.643 19.471 1.00 1.90 N ATOM 1794 CZ ARG B 143 0.933 16.501 20.199 1.00 2.20 C ATOM 1795 NH1 ARG B 143 1.398 17.717 20.466 1.00 2.36 N ATOM 1796 NH2 ARG B 143 -0.257 16.141 20.661 1.00 2.93 N ATOM 0 H ARG B 143 5.917 15.513 18.151 1.00 1.06 H new ATOM 0 HA ARG B 143 6.616 14.209 20.560 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.138 13.355 20.276 1.00 1.35 H new ATOM 0 HB3 ARG B 143 4.462 15.038 20.638 1.00 1.35 H new ATOM 0 HG2 ARG B 143 4.471 14.860 17.812 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.121 13.876 18.343 1.00 1.36 H new ATOM 0 HD2 ARG B 143 3.520 16.590 19.598 1.00 1.50 H new ATOM 0 HD3 ARG B 143 2.852 16.501 17.980 1.00 1.50 H new ATOM 0 HE ARG B 143 1.259 14.719 19.294 1.00 1.90 H new ATOM 0 HH11 ARG B 143 2.312 18.002 20.114 1.00 2.36 H new ATOM 0 HH12 ARG B 143 0.841 18.365 21.023 1.00 2.36 H new ATOM 0 HH21 ARG B 143 -0.622 15.210 20.460 1.00 2.93 H new ATOM 0 HH22 ARG B 143 -0.808 16.795 21.217 1.00 2.93 H new ATOM 1810 N CYS B 144 6.901 12.396 18.010 1.00 1.10 N ATOM 1811 CA CYS B 144 7.148 11.036 17.553 1.00 1.17 C ATOM 1812 C CYS B 144 8.070 10.329 18.529 1.00 1.44 C ATOM 1813 O CYS B 144 7.838 9.151 18.799 1.00 1.61 O ATOM 1814 CB CYS B 144 7.719 10.947 16.131 1.00 1.05 C ATOM 1815 SG CYS B 144 6.462 10.615 14.846 1.00 1.26 S ATOM 0 H CYS B 144 7.234 13.134 17.389 1.00 1.10 H new ATOM 0 HA CYS B 144 6.176 10.544 17.516 1.00 1.17 H new ATOM 0 HB2 CYS B 144 8.227 11.882 15.895 1.00 1.05 H new ATOM 0 HB3 CYS B 144 8.472 10.159 16.101 1.00 1.05 H new ATOM 1820 N GLN B 145 9.150 10.981 19.038 1.00 1.58 N ATOM 1821 CA GLN B 145 10.105 10.344 19.955 1.00 1.89 C ATOM 1822 C GLN B 145 9.530 9.427 21.024 1.00 2.14 C ATOM 1823 O GLN B 145 10.300 8.676 21.632 1.00 2.40 O ATOM 1824 CB GLN B 145 10.911 11.448 20.648 1.00 2.00 C ATOM 1825 CG GLN B 145 11.765 12.276 19.703 1.00 2.43 C ATOM 1826 CD GLN B 145 12.615 13.298 20.436 1.00 2.77 C ATOM 1827 OE1 GLN B 145 13.750 13.017 20.820 1.00 3.35 O ATOM 1828 NE2 GLN B 145 12.067 14.492 20.633 1.00 3.05 N ATOM 0 H GLN B 145 9.372 11.952 18.821 1.00 1.58 H new ATOM 0 HA GLN B 145 10.703 9.688 19.323 1.00 1.89 H new ATOM 0 HB2 GLN B 145 10.223 12.110 21.174 1.00 2.00 H new ATOM 0 HB3 GLN B 145 11.556 10.995 21.401 1.00 2.00 H new ATOM 0 HG2 GLN B 145 12.413 11.614 19.128 1.00 2.43 H new ATOM 0 HG3 GLN B 145 11.120 12.789 18.990 1.00 2.43 H new ATOM 0 HE21 GLN B 145 11.123 14.681 20.297 1.00 3.05 H new ATOM 0 HE22 GLN B 145 12.591 15.219 21.120 1.00 3.05 H new ATOM 1837 N GLU B 146 8.222 9.430 21.258 1.00 2.12 N ATOM 1838 CA GLU B 146 7.690 8.513 22.271 1.00 2.41 C ATOM 1839 C GLU B 146 7.533 7.123 21.631 1.00 2.40 C ATOM 1840 O GLU B 146 7.177 6.138 22.290 1.00 2.57 O ATOM 1841 CB GLU B 146 6.342 9.005 22.817 1.00 2.47 C ATOM 1842 CG GLU B 146 6.264 10.511 23.017 1.00 2.88 C ATOM 1843 CD GLU B 146 6.677 10.940 24.413 1.00 3.26 C ATOM 1844 OE1 GLU B 146 5.873 10.758 25.352 1.00 3.76 O ATOM 1845 OE2 GLU B 146 7.802 11.459 24.566 1.00 3.59 O ATOM 0 H GLU B 146 7.537 10.023 20.790 1.00 2.12 H new ATOM 0 HA GLU B 146 8.381 8.466 23.112 1.00 2.41 H new ATOM 0 HB2 GLU B 146 5.551 8.699 22.132 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.147 8.512 23.769 1.00 2.47 H new ATOM 0 HG2 GLU B 146 6.905 11.004 22.286 1.00 2.88 H new ATOM 0 HG3 GLU B 146 5.245 10.846 22.825 1.00 2.88 H new ATOM 1852 N GLU B 147 7.910 7.045 20.350 1.00 2.27 N ATOM 1853 CA GLU B 147 7.898 5.801 19.607 1.00 2.36 C ATOM 1854 C GLU B 147 9.167 4.999 19.911 1.00 2.40 C ATOM 1855 O GLU B 147 9.354 3.897 19.397 1.00 2.48 O ATOM 1856 CB GLU B 147 7.814 6.102 18.110 1.00 2.40 C ATOM 1857 CG GLU B 147 7.246 4.963 17.282 1.00 2.97 C ATOM 1858 CD GLU B 147 8.023 4.735 16.001 1.00 3.47 C ATOM 1859 OE1 GLU B 147 9.142 4.184 16.075 1.00 4.01 O ATOM 1860 OE2 GLU B 147 7.515 5.112 14.924 1.00 3.71 O ATOM 0 H GLU B 147 8.230 7.848 19.808 1.00 2.27 H new ATOM 0 HA GLU B 147 7.031 5.211 19.904 1.00 2.36 H new ATOM 0 HB2 GLU B 147 7.197 6.988 17.962 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.811 6.343 17.742 1.00 2.40 H new ATOM 0 HG2 GLU B 147 7.252 4.048 17.875 1.00 2.97 H new ATOM 0 HG3 GLU B 147 6.205 5.178 17.039 1.00 2.97 H new ATOM 1987 N SER B 156 -0.819 -1.343 8.441 1.00 2.21 N ATOM 1988 CA SER B 156 -1.769 -0.802 7.455 1.00 2.03 C ATOM 1989 C SER B 156 -1.084 0.178 6.503 1.00 1.77 C ATOM 1990 O SER B 156 -0.593 1.221 6.933 1.00 2.17 O ATOM 1991 CB SER B 156 -2.940 -0.096 8.147 1.00 2.58 C ATOM 1992 OG SER B 156 -3.322 -0.774 9.330 1.00 3.11 O ATOM 0 HA SER B 156 -2.148 -1.648 6.881 1.00 2.03 H new ATOM 0 HB2 SER B 156 -2.659 0.929 8.387 1.00 2.58 H new ATOM 0 HB3 SER B 156 -3.789 -0.042 7.466 1.00 2.58 H new ATOM 0 HG SER B 156 -2.588 -1.351 9.628 1.00 3.11 H new ATOM 1998 N GLY B 157 -1.008 -0.176 5.217 1.00 1.55 N ATOM 1999 CA GLY B 157 -0.350 0.661 4.248 1.00 1.82 C ATOM 2000 C GLY B 157 0.395 -0.210 3.270 1.00 1.65 C ATOM 2001 O GLY B 157 1.622 -0.141 3.172 1.00 2.07 O ATOM 0 H GLY B 157 -1.398 -1.038 4.837 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -1.082 1.275 3.723 1.00 1.82 H new ATOM 0 HA3 GLY B 157 0.340 1.342 4.746 1.00 1.82 H new ATOM 2005 N GLN B 158 -0.350 -1.054 2.549 1.00 1.33 N ATOM 2006 CA GLN B 158 0.273 -1.945 1.591 1.00 1.42 C ATOM 2007 C GLN B 158 -0.204 -1.639 0.185 1.00 1.04 C ATOM 2008 O GLN B 158 -0.813 -2.461 -0.501 1.00 0.95 O ATOM 2009 CB GLN B 158 -0.050 -3.405 1.949 1.00 1.93 C ATOM 2010 CG GLN B 158 0.642 -3.897 3.211 1.00 2.76 C ATOM 2011 CD GLN B 158 0.305 -5.341 3.542 1.00 3.57 C ATOM 2012 OE1 GLN B 158 1.016 -6.264 3.142 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -0.781 -5.544 4.280 1.00 4.34 N ATOM 0 H GLN B 158 -1.365 -1.132 2.614 1.00 1.33 H new ATOM 0 HA GLN B 158 1.352 -1.795 1.629 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -1.128 -3.508 2.073 1.00 1.93 H new ATOM 0 HB3 GLN B 158 0.238 -4.046 1.115 1.00 1.93 H new ATOM 0 HG2 GLN B 158 1.721 -3.799 3.090 1.00 2.76 H new ATOM 0 HG3 GLN B 158 0.356 -3.261 4.048 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -1.342 -4.751 4.591 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -1.054 -6.493 4.536 1.00 4.34 H new ATOM 2022 N LYS B 159 0.146 -0.446 -0.229 1.00 1.15 N ATOM 2023 CA LYS B 159 -0.082 0.053 -1.574 1.00 1.13 C ATOM 2024 C LYS B 159 1.281 0.363 -2.204 1.00 0.95 C ATOM 2025 O LYS B 159 1.608 1.542 -2.365 1.00 0.91 O ATOM 2026 CB LYS B 159 -1.005 1.261 -1.549 1.00 1.54 C ATOM 2027 CG LYS B 159 -1.289 1.843 -2.921 1.00 1.91 C ATOM 2028 CD LYS B 159 -1.933 0.825 -3.847 1.00 2.18 C ATOM 2029 CE LYS B 159 -1.080 0.581 -5.081 1.00 2.81 C ATOM 2030 NZ LYS B 159 -0.465 -0.773 -5.073 1.00 3.54 N ATOM 0 H LYS B 159 0.613 0.230 0.376 1.00 1.15 H new ATOM 0 HA LYS B 159 -0.586 -0.697 -2.184 1.00 1.13 H new ATOM 0 HB2 LYS B 159 -1.948 0.976 -1.083 1.00 1.54 H new ATOM 0 HB3 LYS B 159 -0.560 2.034 -0.922 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -1.945 2.708 -2.820 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -0.359 2.199 -3.364 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -2.080 -0.114 -3.313 1.00 2.18 H new ATOM 0 HD3 LYS B 159 -2.919 1.178 -4.148 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -1.694 0.695 -5.975 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -0.295 1.336 -5.135 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -0.185 -1.033 -6.040 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 0.374 -0.769 -4.459 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -1.154 -1.465 -4.714 1.00 3.54 H new ATOM 2044 N PRO B 160 2.136 -0.634 -2.473 1.00 1.05 N ATOM 2045 CA PRO B 160 3.493 -0.372 -2.969 1.00 1.14 C ATOM 2046 C PRO B 160 3.594 0.333 -4.316 1.00 1.10 C ATOM 2047 O PRO B 160 3.179 -0.172 -5.359 1.00 1.23 O ATOM 2048 CB PRO B 160 4.141 -1.756 -3.037 1.00 1.46 C ATOM 2049 CG PRO B 160 3.000 -2.712 -3.056 1.00 1.51 C ATOM 2050 CD PRO B 160 1.914 -2.069 -2.238 1.00 1.27 C ATOM 0 HA PRO B 160 3.986 0.332 -2.299 1.00 1.14 H new ATOM 0 HB2 PRO B 160 4.758 -1.860 -3.929 1.00 1.46 H new ATOM 0 HB3 PRO B 160 4.789 -1.931 -2.179 1.00 1.46 H new ATOM 0 HG2 PRO B 160 2.663 -2.899 -4.076 1.00 1.51 H new ATOM 0 HG3 PRO B 160 3.289 -3.675 -2.635 1.00 1.51 H new ATOM 0 HD2 PRO B 160 0.922 -2.384 -2.563 1.00 1.27 H new ATOM 0 HD3 PRO B 160 1.999 -2.324 -1.182 1.00 1.27 H new ATOM 2058 N CYS B 161 4.222 1.492 -4.242 1.00 1.09 N ATOM 2059 CA CYS B 161 4.525 2.352 -5.375 1.00 1.15 C ATOM 2060 C CYS B 161 5.861 3.028 -5.042 1.00 1.37 C ATOM 2061 O CYS B 161 6.479 2.670 -4.032 1.00 1.58 O ATOM 2062 CB CYS B 161 3.362 3.343 -5.658 1.00 1.32 C ATOM 2063 SG CYS B 161 3.504 5.031 -4.960 1.00 1.58 S ATOM 0 H CYS B 161 4.549 1.877 -3.356 1.00 1.09 H new ATOM 0 HA CYS B 161 4.623 1.795 -6.307 1.00 1.15 H new ATOM 0 HB2 CYS B 161 3.252 3.434 -6.739 1.00 1.32 H new ATOM 0 HB3 CYS B 161 2.441 2.899 -5.280 1.00 1.32 H new ATOM 2068 N GLY B 162 6.340 3.963 -5.851 1.00 1.57 N ATOM 2069 CA GLY B 162 7.605 4.594 -5.510 1.00 1.88 C ATOM 2070 C GLY B 162 8.775 3.652 -5.645 1.00 2.05 C ATOM 2071 O GLY B 162 8.676 2.615 -6.303 1.00 2.37 O ATOM 0 H GLY B 162 5.896 4.290 -6.709 1.00 1.57 H new ATOM 0 HA2 GLY B 162 7.762 5.458 -6.156 1.00 1.88 H new ATOM 0 HA3 GLY B 162 7.558 4.965 -4.486 1.00 1.88 H new ATOM 2075 N SER B 163 9.911 4.049 -5.088 1.00 2.40 N ATOM 2076 CA SER B 163 11.157 3.246 -5.232 1.00 2.93 C ATOM 2077 C SER B 163 11.252 2.216 -4.143 1.00 2.71 C ATOM 2078 O SER B 163 12.309 1.952 -3.566 1.00 3.29 O ATOM 2079 CB SER B 163 12.390 4.153 -5.200 1.00 3.81 C ATOM 2080 OG SER B 163 12.269 5.146 -4.197 1.00 4.07 O ATOM 0 H SER B 163 10.014 4.902 -4.539 1.00 2.40 H new ATOM 0 HA SER B 163 11.120 2.737 -6.195 1.00 2.93 H new ATOM 0 HB2 SER B 163 13.281 3.553 -5.016 1.00 3.81 H new ATOM 0 HB3 SER B 163 12.521 4.628 -6.172 1.00 3.81 H new ATOM 0 HG SER B 163 12.201 4.717 -3.319 1.00 4.07 H new ATOM 2086 N GLY B 164 10.056 1.682 -3.822 1.00 2.12 N ATOM 2087 CA GLY B 164 9.846 0.725 -2.764 1.00 2.11 C ATOM 2088 C GLY B 164 8.835 1.178 -1.672 1.00 1.92 C ATOM 2089 O GLY B 164 8.737 0.478 -0.659 1.00 2.20 O ATOM 0 H GLY B 164 9.198 1.924 -4.317 1.00 2.12 H new ATOM 0 HA2 GLY B 164 9.494 -0.209 -3.202 1.00 2.11 H new ATOM 0 HA3 GLY B 164 10.804 0.513 -2.288 1.00 2.11 H new ATOM 2093 N GLY B 165 8.139 2.323 -1.795 1.00 1.61 N ATOM 2094 CA GLY B 165 7.249 2.727 -0.696 1.00 1.60 C ATOM 2095 C GLY B 165 5.760 2.455 -0.897 1.00 1.42 C ATOM 2096 O GLY B 165 5.191 2.739 -1.948 1.00 1.62 O ATOM 0 H GLY B 165 8.170 2.953 -2.597 1.00 1.61 H new ATOM 0 HA2 GLY B 165 7.571 2.215 0.211 1.00 1.60 H new ATOM 0 HA3 GLY B 165 7.382 3.795 -0.523 1.00 1.60 H new ATOM 2100 N ARG B 166 5.130 1.926 0.159 1.00 1.16 N ATOM 2101 CA ARG B 166 3.692 1.628 0.166 1.00 1.03 C ATOM 2102 C ARG B 166 2.898 2.833 0.671 1.00 0.95 C ATOM 2103 O ARG B 166 3.422 3.661 1.415 1.00 1.04 O ATOM 2104 CB ARG B 166 3.364 0.389 1.012 1.00 1.08 C ATOM 2105 CG ARG B 166 4.287 0.167 2.202 1.00 1.23 C ATOM 2106 CD ARG B 166 5.590 -0.499 1.784 1.00 1.39 C ATOM 2107 NE ARG B 166 5.392 -1.893 1.383 1.00 1.79 N ATOM 2108 CZ ARG B 166 6.367 -2.692 0.946 1.00 2.31 C ATOM 2109 NH1 ARG B 166 7.615 -2.246 0.851 1.00 2.54 N ATOM 2110 NH2 ARG B 166 6.092 -3.943 0.604 1.00 3.05 N ATOM 0 H ARG B 166 5.602 1.692 1.032 1.00 1.16 H new ATOM 0 HA ARG B 166 3.403 1.412 -0.862 1.00 1.03 H new ATOM 0 HB2 ARG B 166 2.340 0.475 1.375 1.00 1.08 H new ATOM 0 HB3 ARG B 166 3.402 -0.492 0.371 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.503 1.123 2.679 1.00 1.23 H new ATOM 0 HG3 ARG B 166 3.783 -0.452 2.944 1.00 1.23 H new ATOM 0 HD2 ARG B 166 6.031 0.057 0.957 1.00 1.39 H new ATOM 0 HD3 ARG B 166 6.299 -0.457 2.610 1.00 1.39 H new ATOM 0 HE ARG B 166 4.449 -2.278 1.441 1.00 1.79 H new ATOM 0 HH11 ARG B 166 7.835 -1.285 1.113 1.00 2.54 H new ATOM 0 HH12 ARG B 166 8.354 -2.865 0.516 1.00 2.54 H new ATOM 0 HH21 ARG B 166 5.137 -4.293 0.675 1.00 3.05 H new ATOM 0 HH22 ARG B 166 6.836 -4.556 0.270 1.00 3.05 H new ATOM 2124 N CYS B 167 1.630 2.926 0.268 1.00 0.87 N ATOM 2125 CA CYS B 167 0.775 3.973 0.656 1.00 0.88 C ATOM 2126 C CYS B 167 0.443 3.789 2.105 1.00 0.88 C ATOM 2127 O CYS B 167 -0.428 2.988 2.451 1.00 0.93 O ATOM 2128 CB CYS B 167 -0.492 3.915 -0.221 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.774 5.166 0.146 1.00 1.56 S ATOM 0 H CYS B 167 1.189 2.245 -0.350 1.00 0.87 H new ATOM 0 HA CYS B 167 1.244 4.948 0.524 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -0.194 4.023 -1.264 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -0.937 2.925 -0.118 1.00 0.94 H new ATOM 2134 N ALA B 168 1.073 4.575 2.945 1.00 0.90 N ATOM 2135 CA ALA B 168 0.759 4.524 4.360 1.00 0.95 C ATOM 2136 C ALA B 168 -0.559 5.249 4.504 1.00 0.96 C ATOM 2137 O ALA B 168 -1.422 4.919 5.318 1.00 1.04 O ATOM 2138 CB ALA B 168 1.847 5.205 5.179 1.00 0.96 C ATOM 0 H ALA B 168 1.794 5.248 2.684 1.00 0.90 H new ATOM 0 HA ALA B 168 0.696 3.499 4.725 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.591 5.155 6.237 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.798 4.700 5.012 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.932 6.248 4.875 1.00 0.96 H new ATOM 2144 N ALA B 169 -0.599 6.336 3.755 1.00 0.90 N ATOM 2145 CA ALA B 169 -1.702 7.298 3.806 1.00 0.94 C ATOM 2146 C ALA B 169 -2.071 7.820 2.421 1.00 0.91 C ATOM 2147 O ALA B 169 -1.286 7.723 1.478 1.00 0.87 O ATOM 2148 CB ALA B 169 -1.276 8.468 4.674 1.00 0.98 C ATOM 0 H ALA B 169 0.133 6.584 3.089 1.00 0.90 H new ATOM 0 HA ALA B 169 -2.577 6.794 4.216 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.085 9.197 4.725 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.045 8.111 5.678 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -0.391 8.937 4.244 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.278 8.368 2.310 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.774 8.899 1.044 1.00 1.00 C ATOM 2156 C ALA B 170 -2.819 9.920 0.413 1.00 1.04 C ATOM 2157 O ALA B 170 -2.537 10.977 0.978 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.164 9.506 1.224 1.00 1.15 C ATOM 0 H ALA B 170 -3.934 8.456 3.086 1.00 0.98 H new ATOM 0 HA ALA B 170 -3.837 8.058 0.354 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.517 9.897 0.270 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.853 8.739 1.579 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -5.116 10.316 1.952 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.390 9.592 -0.800 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.536 10.442 -1.599 1.00 1.28 C ATOM 2166 C GLY B 171 -0.058 10.465 -1.221 1.00 1.22 C ATOM 2167 O GLY B 171 0.706 11.233 -1.805 1.00 1.29 O ATOM 0 H GLY B 171 -2.633 8.713 -1.257 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.618 10.128 -2.639 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.919 11.461 -1.543 1.00 1.28 H new ATOM 2171 N ILE B 172 0.361 9.659 -0.248 1.00 1.13 N ATOM 2172 CA ILE B 172 1.763 9.634 0.177 1.00 1.09 C ATOM 2173 C ILE B 172 2.282 8.182 0.269 1.00 1.02 C ATOM 2174 O ILE B 172 1.927 7.413 1.181 1.00 1.34 O ATOM 2175 CB ILE B 172 1.921 10.382 1.511 1.00 1.53 C ATOM 2176 CG1 ILE B 172 1.276 9.624 2.658 1.00 1.09 C ATOM 2177 CG2 ILE B 172 1.331 11.779 1.400 1.00 2.27 C ATOM 2178 CD1 ILE B 172 2.308 9.155 3.629 1.00 0.91 C ATOM 0 H ILE B 172 -0.246 9.016 0.261 1.00 1.13 H new ATOM 0 HA ILE B 172 2.370 10.146 -0.570 1.00 1.09 H new ATOM 0 HB ILE B 172 2.987 10.460 1.727 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.557 10.267 3.166 1.00 1.09 H new ATOM 0 HG13 ILE B 172 0.721 8.770 2.269 1.00 1.09 H new ATOM 0 HG21 ILE B 172 1.448 12.300 2.350 1.00 2.27 H new ATOM 0 HG22 ILE B 172 1.850 12.332 0.617 1.00 2.27 H new ATOM 0 HG23 ILE B 172 0.272 11.708 1.153 1.00 2.27 H new ATOM 0 HD11 ILE B 172 1.823 8.615 4.442 1.00 0.91 H new ATOM 0 HD12 ILE B 172 3.011 8.494 3.122 1.00 0.91 H new ATOM 0 HD13 ILE B 172 2.844 10.014 4.033 1.00 0.91 H new ATOM 2190 N CYS B 173 3.116 7.814 -0.708 1.00 0.81 N ATOM 2191 CA CYS B 173 3.687 6.471 -0.784 1.00 1.04 C ATOM 2192 C CYS B 173 4.924 6.391 0.085 1.00 1.06 C ATOM 2193 O CYS B 173 6.031 6.697 -0.359 1.00 1.19 O ATOM 2194 CB CYS B 173 4.066 6.144 -2.228 1.00 1.17 C ATOM 2195 SG CYS B 173 3.104 4.799 -2.985 1.00 1.94 S ATOM 0 H CYS B 173 3.411 8.435 -1.462 1.00 0.81 H new ATOM 0 HA CYS B 173 2.945 5.754 -0.433 1.00 1.04 H new ATOM 0 HB2 CYS B 173 3.945 7.043 -2.833 1.00 1.17 H new ATOM 0 HB3 CYS B 173 5.123 5.878 -2.260 1.00 1.17 H new ATOM 2200 N CYS B 174 4.727 6.013 1.337 1.00 0.97 N ATOM 2201 CA CYS B 174 5.828 5.941 2.276 1.00 0.99 C ATOM 2202 C CYS B 174 6.358 4.522 2.476 1.00 1.16 C ATOM 2203 O CYS B 174 5.603 3.574 2.696 1.00 1.35 O ATOM 2204 CB CYS B 174 5.403 6.543 3.611 1.00 1.12 C ATOM 2205 SG CYS B 174 6.711 7.520 4.411 1.00 1.26 S ATOM 0 H CYS B 174 3.819 5.753 1.723 1.00 0.97 H new ATOM 0 HA CYS B 174 6.650 6.516 1.850 1.00 0.99 H new ATOM 0 HB2 CYS B 174 4.531 7.177 3.454 1.00 1.12 H new ATOM 0 HB3 CYS B 174 5.097 5.740 4.282 1.00 1.12 H new ATOM 2210 N SER B 175 7.681 4.420 2.417 1.00 1.15 N ATOM 2211 CA SER B 175 8.399 3.165 2.608 1.00 1.38 C ATOM 2212 C SER B 175 9.136 3.221 3.947 1.00 1.29 C ATOM 2213 O SER B 175 9.010 4.209 4.672 1.00 1.12 O ATOM 2214 CB SER B 175 9.387 2.942 1.459 1.00 1.48 C ATOM 2215 OG SER B 175 10.248 4.057 1.306 1.00 2.00 O ATOM 0 H SER B 175 8.292 5.216 2.233 1.00 1.15 H new ATOM 0 HA SER B 175 7.696 2.332 2.614 1.00 1.38 H new ATOM 0 HB2 SER B 175 9.977 2.046 1.651 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.840 2.771 0.532 1.00 1.48 H new ATOM 0 HG SER B 175 10.871 3.891 0.568 1.00 2.00 H new ATOM 2221 N PRO B 176 9.913 2.185 4.319 1.00 1.49 N ATOM 2222 CA PRO B 176 10.633 2.191 5.594 1.00 1.45 C ATOM 2223 C PRO B 176 11.843 3.123 5.557 1.00 1.20 C ATOM 2224 O PRO B 176 12.846 2.890 6.231 1.00 1.25 O ATOM 2225 CB PRO B 176 11.077 0.738 5.757 1.00 1.77 C ATOM 2226 CG PRO B 176 11.198 0.222 4.365 1.00 1.90 C ATOM 2227 CD PRO B 176 10.147 0.940 3.556 1.00 1.81 C ATOM 0 HA PRO B 176 10.016 2.551 6.417 1.00 1.45 H new ATOM 0 HB2 PRO B 176 12.026 0.671 6.288 1.00 1.77 H new ATOM 0 HB3 PRO B 176 10.350 0.163 6.331 1.00 1.77 H new ATOM 0 HG2 PRO B 176 12.194 0.412 3.965 1.00 1.90 H new ATOM 0 HG3 PRO B 176 11.043 -0.856 4.335 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.493 1.149 2.544 1.00 1.81 H new ATOM 0 HD3 PRO B 176 9.236 0.348 3.466 1.00 1.81 H new ATOM 2235 N ASP B 177 11.724 4.188 4.763 1.00 1.01 N ATOM 2236 CA ASP B 177 12.787 5.180 4.627 1.00 0.92 C ATOM 2237 C ASP B 177 12.201 6.589 4.487 1.00 0.83 C ATOM 2238 O ASP B 177 12.595 7.510 5.202 1.00 0.90 O ATOM 2239 CB ASP B 177 13.668 4.853 3.419 1.00 1.18 C ATOM 2240 CG ASP B 177 14.596 3.682 3.678 1.00 1.96 C ATOM 2241 OD1 ASP B 177 14.175 2.529 3.450 1.00 2.51 O ATOM 2242 OD2 ASP B 177 15.745 3.918 4.108 1.00 2.72 O ATOM 0 H ASP B 177 10.895 4.385 4.202 1.00 1.01 H new ATOM 0 HA ASP B 177 13.399 5.150 5.528 1.00 0.92 H new ATOM 0 HB2 ASP B 177 13.034 4.628 2.561 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.259 5.730 3.156 1.00 1.18 H new ATOM 2247 N GLY B 178 11.254 6.743 3.561 1.00 0.89 N ATOM 2248 CA GLY B 178 10.612 8.035 3.337 1.00 0.87 C ATOM 2249 C GLY B 178 9.283 7.886 2.611 1.00 0.85 C ATOM 2250 O GLY B 178 8.770 6.774 2.497 1.00 0.99 O ATOM 0 H GLY B 178 10.917 5.993 2.958 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.450 8.531 4.294 1.00 0.87 H new ATOM 0 HA3 GLY B 178 11.275 8.674 2.754 1.00 0.87 H new ATOM 2254 N CYS B 179 8.730 8.989 2.092 1.00 0.78 N ATOM 2255 CA CYS B 179 7.457 8.921 1.366 1.00 0.79 C ATOM 2256 C CYS B 179 7.618 9.513 -0.038 1.00 0.77 C ATOM 2257 O CYS B 179 8.601 10.198 -0.330 1.00 0.88 O ATOM 2258 CB CYS B 179 6.304 9.611 2.114 1.00 0.92 C ATOM 2259 SG CYS B 179 6.304 9.460 3.943 1.00 1.34 S ATOM 0 H CYS B 179 9.135 9.923 2.159 1.00 0.78 H new ATOM 0 HA CYS B 179 7.190 7.867 1.288 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.319 10.671 1.860 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.364 9.206 1.739 1.00 0.92 H new ATOM 2264 N HIS B 180 6.687 9.164 -0.923 1.00 0.70 N ATOM 2265 CA HIS B 180 6.757 9.536 -2.339 1.00 0.75 C ATOM 2266 C HIS B 180 5.352 9.705 -2.876 1.00 0.69 C ATOM 2267 O HIS B 180 4.501 8.828 -2.744 1.00 0.66 O ATOM 2268 CB HIS B 180 7.534 8.444 -3.127 1.00 0.89 C ATOM 2269 CG HIS B 180 7.281 8.401 -4.618 1.00 0.94 C ATOM 2270 ND1 HIS B 180 7.550 9.303 -5.592 1.00 1.60 N flip ATOM 2271 CD2 HIS B 180 6.669 7.334 -5.246 1.00 1.70 C flip ATOM 2272 CE1 HIS B 180 7.099 8.771 -6.777 1.00 2.03 C flip ATOM 2273 NE2 HIS B 180 6.573 7.583 -6.541 1.00 2.10 N flip ATOM 0 H HIS B 180 5.862 8.615 -0.681 1.00 0.70 H new ATOM 0 HA HIS B 180 7.289 10.480 -2.456 1.00 0.75 H new ATOM 0 HB2 HIS B 180 8.601 8.595 -2.963 1.00 0.89 H new ATOM 0 HB3 HIS B 180 7.281 7.471 -2.707 1.00 0.89 H new ATOM 0 HD2 HIS B 180 6.323 6.436 -4.756 1.00 1.70 H new ATOM 0 HE1 HIS B 180 7.164 9.248 -7.744 1.00 2.03 H new ATOM 0 HE2 HIS B 180 6.162 6.963 -7.239 1.00 2.10 H new ATOM 2282 N GLU B 181 5.102 10.906 -3.414 1.00 0.75 N ATOM 2283 CA GLU B 181 3.781 11.291 -3.912 1.00 0.77 C ATOM 2284 C GLU B 181 3.162 10.202 -4.790 1.00 0.73 C ATOM 2285 O GLU B 181 3.810 9.644 -5.674 1.00 0.94 O ATOM 2286 CB GLU B 181 3.874 12.678 -4.614 1.00 0.93 C ATOM 2287 CG GLU B 181 3.446 12.749 -6.084 1.00 1.69 C ATOM 2288 CD GLU B 181 2.823 14.086 -6.441 1.00 2.34 C ATOM 2289 OE1 GLU B 181 1.595 14.235 -6.269 1.00 2.69 O ATOM 2290 OE2 GLU B 181 3.564 14.986 -6.893 1.00 3.06 O ATOM 0 H GLU B 181 5.809 11.634 -3.515 1.00 0.75 H new ATOM 0 HA GLU B 181 3.095 11.395 -3.071 1.00 0.77 H new ATOM 0 HB2 GLU B 181 3.264 13.384 -4.050 1.00 0.93 H new ATOM 0 HB3 GLU B 181 4.906 13.023 -4.545 1.00 0.93 H new ATOM 0 HG2 GLU B 181 4.313 12.574 -6.721 1.00 1.69 H new ATOM 0 HG3 GLU B 181 2.732 11.952 -6.291 1.00 1.69 H new ATOM 2297 N ASP B 182 1.904 9.903 -4.504 1.00 0.77 N ATOM 2298 CA ASP B 182 1.182 8.875 -5.224 1.00 0.79 C ATOM 2299 C ASP B 182 -0.284 9.306 -5.449 1.00 0.97 C ATOM 2300 O ASP B 182 -1.007 9.568 -4.487 1.00 1.22 O ATOM 2301 CB ASP B 182 1.305 7.551 -4.437 1.00 0.90 C ATOM 2302 CG ASP B 182 0.333 7.430 -3.271 1.00 1.39 C ATOM 2303 OD1 ASP B 182 -0.851 7.117 -3.515 1.00 1.88 O ATOM 2304 OD2 ASP B 182 0.759 7.646 -2.117 1.00 2.06 O ATOM 0 H ASP B 182 1.362 10.363 -3.773 1.00 0.77 H new ATOM 0 HA ASP B 182 1.609 8.723 -6.215 1.00 0.79 H new ATOM 0 HB2 ASP B 182 1.142 6.718 -5.120 1.00 0.90 H new ATOM 0 HB3 ASP B 182 2.323 7.458 -4.059 1.00 0.90 H new ATOM 2309 N PRO B 183 -0.736 9.416 -6.721 1.00 1.15 N ATOM 2310 CA PRO B 183 -2.103 9.851 -7.047 1.00 1.41 C ATOM 2311 C PRO B 183 -3.158 8.759 -6.870 1.00 1.28 C ATOM 2312 O PRO B 183 -4.356 9.043 -6.873 1.00 1.41 O ATOM 2313 CB PRO B 183 -2.017 10.261 -8.529 1.00 1.79 C ATOM 2314 CG PRO B 183 -0.578 10.131 -8.917 1.00 1.91 C ATOM 2315 CD PRO B 183 0.039 9.168 -7.944 1.00 1.41 C ATOM 0 HA PRO B 183 -2.420 10.650 -6.376 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -2.646 9.620 -9.147 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.367 11.283 -8.671 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -0.483 9.764 -9.939 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.076 11.098 -8.877 1.00 1.91 H new ATOM 0 HD2 PRO B 183 -0.053 8.135 -8.281 1.00 1.41 H new ATOM 0 HD3 PRO B 183 1.102 9.363 -7.798 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.719 7.514 -6.731 1.00 1.13 N ATOM 2324 CA ALA B 184 -3.646 6.393 -6.571 1.00 1.18 C ATOM 2325 C ALA B 184 -4.447 6.504 -5.274 1.00 1.22 C ATOM 2326 O ALA B 184 -5.633 6.177 -5.235 1.00 1.56 O ATOM 2327 CB ALA B 184 -2.889 5.075 -6.615 1.00 1.21 C ATOM 0 H ALA B 184 -1.733 7.253 -6.725 1.00 1.13 H new ATOM 0 HA ALA B 184 -4.354 6.426 -7.399 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -3.590 4.249 -6.495 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -2.378 4.981 -7.573 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -2.156 5.049 -5.809 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.789 6.963 -4.217 1.00 1.05 N ATOM 2334 CA CYS B 185 -4.428 7.119 -2.913 1.00 1.23 C ATOM 2335 C CYS B 185 -5.004 8.540 -2.760 1.00 1.50 C ATOM 2336 O CYS B 185 -4.726 9.221 -1.775 1.00 1.94 O ATOM 2337 CB CYS B 185 -3.398 6.827 -1.802 1.00 1.19 C ATOM 2338 SG CYS B 185 -3.076 5.068 -1.428 1.00 1.46 S ATOM 0 H CYS B 185 -2.806 7.236 -4.236 1.00 1.05 H new ATOM 0 HA CYS B 185 -5.254 6.412 -2.830 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -2.454 7.294 -2.081 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -3.736 7.314 -0.887 1.00 1.19 H new ATOM 2343 N ASP B 186 -5.784 9.007 -3.750 1.00 1.54 N ATOM 2344 CA ASP B 186 -6.326 10.374 -3.689 1.00 1.92 C ATOM 2345 C ASP B 186 -7.836 10.523 -4.012 1.00 1.82 C ATOM 2346 O ASP B 186 -8.232 11.515 -4.628 1.00 2.28 O ATOM 2347 CB ASP B 186 -5.515 11.259 -4.646 1.00 2.44 C ATOM 2348 CG ASP B 186 -4.099 11.501 -4.155 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -3.902 11.574 -2.924 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -3.189 11.618 -5.002 1.00 3.49 O ATOM 0 H ASP B 186 -6.047 8.475 -4.580 1.00 1.54 H new ATOM 0 HA ASP B 186 -6.234 10.680 -2.647 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -5.480 10.789 -5.629 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -6.022 12.216 -4.768 1.00 2.44 H new