USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= -0.0449 (180deg=-0.291) USER MOD Single : A 25 SER OG : rot 180:sc= -0.505 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.133! USER MOD Single : A 45 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.0036) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 134:sc= 0.243 USER MOD Single : A 80 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.3) USER MOD Single : B 110 CYS SG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 155:sc= -0.068 (180deg=-0.346) USER MOD Single : B 125 SER OG : rot 180:sc= -0.533 USER MOD Single : B 138 THR OG1 : rot 71:sc= -0.309! USER MOD Single : B 145 GLN : amide:sc= -0.0945 X(o=-0.094,f=-0.094) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 158 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.00011) USER MOD Single : B 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 SER OG : rot 180:sc= 0 USER MOD Single : B 175 SER OG : rot 135:sc= 0.195! USER MOD Single : B 180 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 145 N CYS A 10 11.118 33.099 0.590 1.00 2.54 N ATOM 146 CA CYS A 10 10.865 31.681 0.594 1.00 1.93 C ATOM 147 C CYS A 10 9.376 31.362 0.710 1.00 1.72 C ATOM 148 O CYS A 10 8.829 31.482 1.805 1.00 1.97 O ATOM 149 CB CYS A 10 11.742 30.980 1.611 1.00 2.28 C ATOM 150 SG CYS A 10 13.084 30.026 0.815 1.00 2.68 S ATOM 0 HA CYS A 10 11.152 31.274 -0.375 1.00 1.93 H new ATOM 0 HB2 CYS A 10 12.173 31.718 2.288 1.00 2.28 H new ATOM 0 HB3 CYS A 10 11.131 30.311 2.217 1.00 2.28 H new ATOM 0 HG CYS A 10 13.806 29.448 1.728 1.00 2.68 H new ATOM 155 N LEU A 11 8.706 30.967 -0.379 1.00 1.49 N ATOM 156 CA LEU A 11 7.267 30.658 -0.298 1.00 1.39 C ATOM 157 C LEU A 11 6.914 30.119 1.091 1.00 1.20 C ATOM 158 O LEU A 11 7.305 29.010 1.433 1.00 1.16 O ATOM 159 CB LEU A 11 6.886 29.608 -1.346 1.00 1.55 C ATOM 160 CG LEU A 11 6.447 30.169 -2.691 1.00 1.91 C ATOM 161 CD1 LEU A 11 5.188 31.001 -2.516 1.00 2.48 C ATOM 162 CD2 LEU A 11 7.570 30.991 -3.302 1.00 2.29 C ATOM 0 H LEU A 11 9.120 30.855 -1.305 1.00 1.49 H new ATOM 0 HA LEU A 11 6.714 31.579 -0.485 1.00 1.39 H new ATOM 0 HB2 LEU A 11 7.740 28.950 -1.506 1.00 1.55 H new ATOM 0 HB3 LEU A 11 6.080 28.993 -0.946 1.00 1.55 H new ATOM 0 HG LEU A 11 6.221 29.348 -3.372 1.00 1.91 H new ATOM 0 HD11 LEU A 11 4.878 31.400 -3.482 1.00 2.48 H new ATOM 0 HD12 LEU A 11 4.393 30.376 -2.110 1.00 2.48 H new ATOM 0 HD13 LEU A 11 5.388 31.825 -1.831 1.00 2.48 H new ATOM 0 HD21 LEU A 11 7.248 31.389 -4.264 1.00 2.29 H new ATOM 0 HD22 LEU A 11 7.822 31.815 -2.635 1.00 2.29 H new ATOM 0 HD23 LEU A 11 8.447 30.359 -3.446 1.00 2.29 H new ATOM 174 N PRO A 12 6.202 30.905 1.923 1.00 1.19 N ATOM 175 CA PRO A 12 5.849 30.511 3.287 1.00 1.11 C ATOM 176 C PRO A 12 4.419 29.988 3.449 1.00 1.01 C ATOM 177 O PRO A 12 3.460 30.732 3.253 1.00 1.05 O ATOM 178 CB PRO A 12 6.001 31.834 4.015 1.00 1.29 C ATOM 179 CG PRO A 12 5.551 32.866 3.026 1.00 1.49 C ATOM 180 CD PRO A 12 5.741 32.274 1.644 1.00 1.39 C ATOM 0 HA PRO A 12 6.462 29.684 3.646 1.00 1.11 H new ATOM 0 HB2 PRO A 12 5.393 31.861 4.919 1.00 1.29 H new ATOM 0 HB3 PRO A 12 7.034 32.002 4.320 1.00 1.29 H new ATOM 0 HG2 PRO A 12 4.506 33.128 3.192 1.00 1.49 H new ATOM 0 HG3 PRO A 12 6.131 33.782 3.135 1.00 1.49 H new ATOM 0 HD2 PRO A 12 4.812 32.277 1.074 1.00 1.39 H new ATOM 0 HD3 PRO A 12 6.474 32.835 1.063 1.00 1.39 H new ATOM 188 N CYS A 13 4.278 28.702 3.793 1.00 0.93 N ATOM 189 CA CYS A 13 2.963 28.084 3.944 1.00 0.89 C ATOM 190 C CYS A 13 2.892 27.278 5.249 1.00 0.90 C ATOM 191 O CYS A 13 3.633 27.569 6.188 1.00 1.00 O ATOM 192 CB CYS A 13 2.641 27.264 2.675 1.00 0.82 C ATOM 193 SG CYS A 13 2.554 25.443 2.816 1.00 0.86 S ATOM 0 H CYS A 13 5.061 28.073 3.971 1.00 0.93 H new ATOM 0 HA CYS A 13 2.187 28.844 4.034 1.00 0.89 H new ATOM 0 HB2 CYS A 13 1.684 27.613 2.288 1.00 0.82 H new ATOM 0 HB3 CYS A 13 3.395 27.503 1.925 1.00 0.82 H new ATOM 198 N GLY A 14 1.989 26.313 5.350 1.00 0.91 N ATOM 199 CA GLY A 14 1.850 25.566 6.589 1.00 0.98 C ATOM 200 C GLY A 14 1.032 26.331 7.598 1.00 1.10 C ATOM 201 O GLY A 14 0.230 27.172 7.190 1.00 1.15 O ATOM 0 H GLY A 14 1.353 26.033 4.603 1.00 0.91 H new ATOM 0 HA2 GLY A 14 1.377 24.605 6.386 1.00 0.98 H new ATOM 0 HA3 GLY A 14 2.836 25.354 7.002 1.00 0.98 H new ATOM 205 N PRO A 15 1.118 26.059 8.913 1.00 1.19 N ATOM 206 CA PRO A 15 0.255 26.771 9.857 1.00 1.33 C ATOM 207 C PRO A 15 0.503 28.262 9.953 1.00 1.40 C ATOM 208 O PRO A 15 1.228 28.770 10.807 1.00 1.57 O ATOM 209 CB PRO A 15 0.641 26.126 11.174 1.00 1.46 C ATOM 210 CG PRO A 15 2.049 25.823 10.899 1.00 1.39 C ATOM 211 CD PRO A 15 1.977 25.105 9.598 1.00 1.21 C ATOM 0 HA PRO A 15 -0.791 26.696 9.559 1.00 1.33 H new ATOM 0 HB2 PRO A 15 0.517 26.800 12.022 1.00 1.46 H new ATOM 0 HB3 PRO A 15 0.055 25.232 11.389 1.00 1.46 H new ATOM 0 HG2 PRO A 15 2.653 26.728 10.830 1.00 1.39 H new ATOM 0 HG3 PRO A 15 2.491 25.204 11.680 1.00 1.39 H new ATOM 0 HD2 PRO A 15 2.949 24.983 9.121 1.00 1.21 H new ATOM 0 HD3 PRO A 15 1.536 24.112 9.680 1.00 1.21 H new ATOM 219 N GLY A 16 -0.120 28.905 9.034 1.00 1.34 N ATOM 220 CA GLY A 16 -0.032 30.331 8.894 1.00 1.47 C ATOM 221 C GLY A 16 1.127 30.806 8.054 1.00 1.43 C ATOM 222 O GLY A 16 1.238 32.006 7.804 1.00 1.68 O ATOM 0 H GLY A 16 -0.719 28.457 8.341 1.00 1.34 H new ATOM 0 HA2 GLY A 16 -0.959 30.698 8.453 1.00 1.47 H new ATOM 0 HA3 GLY A 16 0.047 30.777 9.886 1.00 1.47 H new ATOM 226 N GLY A 17 1.919 29.884 7.515 1.00 1.28 N ATOM 227 CA GLY A 17 2.953 30.295 6.615 1.00 1.25 C ATOM 228 C GLY A 17 4.278 30.713 7.220 1.00 1.24 C ATOM 229 O GLY A 17 4.928 31.659 6.774 1.00 1.36 O ATOM 0 H GLY A 17 1.857 28.881 7.688 1.00 1.28 H new ATOM 0 HA2 GLY A 17 3.143 29.475 5.923 1.00 1.25 H new ATOM 0 HA3 GLY A 17 2.574 31.129 6.025 1.00 1.25 H new ATOM 233 N LYS A 18 4.709 29.921 8.215 1.00 1.18 N ATOM 234 CA LYS A 18 6.008 30.088 8.873 1.00 1.23 C ATOM 235 C LYS A 18 7.094 29.183 8.240 1.00 1.13 C ATOM 236 O LYS A 18 8.285 29.364 8.486 1.00 1.22 O ATOM 237 CB LYS A 18 5.887 29.796 10.365 1.00 1.28 C ATOM 238 CG LYS A 18 4.517 30.118 10.934 1.00 1.34 C ATOM 239 CD LYS A 18 4.601 31.146 12.048 1.00 1.73 C ATOM 240 CE LYS A 18 3.650 30.807 13.179 1.00 1.91 C ATOM 241 NZ LYS A 18 4.075 29.578 13.901 1.00 2.50 N ATOM 0 H LYS A 18 4.161 29.144 8.585 1.00 1.18 H new ATOM 0 HA LYS A 18 6.316 31.124 8.732 1.00 1.23 H new ATOM 0 HB2 LYS A 18 6.107 28.743 10.540 1.00 1.28 H new ATOM 0 HB3 LYS A 18 6.640 30.372 10.903 1.00 1.28 H new ATOM 0 HG2 LYS A 18 3.872 30.494 10.140 1.00 1.34 H new ATOM 0 HG3 LYS A 18 4.057 29.206 11.314 1.00 1.34 H new ATOM 0 HD2 LYS A 18 5.621 31.191 12.429 1.00 1.73 H new ATOM 0 HD3 LYS A 18 4.364 32.134 11.653 1.00 1.73 H new ATOM 0 HE2 LYS A 18 3.602 31.642 13.878 1.00 1.91 H new ATOM 0 HE3 LYS A 18 2.645 30.667 12.781 1.00 1.91 H new ATOM 0 HZ1 LYS A 18 3.701 29.598 14.871 1.00 2.50 H new ATOM 0 HZ2 LYS A 18 3.708 28.740 13.406 1.00 2.50 H new ATOM 0 HZ3 LYS A 18 5.114 29.535 13.931 1.00 2.50 H new ATOM 255 N GLY A 19 6.655 28.197 7.446 1.00 1.02 N ATOM 256 CA GLY A 19 7.526 27.229 6.768 1.00 0.95 C ATOM 257 C GLY A 19 7.561 27.533 5.287 1.00 0.91 C ATOM 258 O GLY A 19 6.881 28.458 4.876 1.00 1.00 O ATOM 0 H GLY A 19 5.665 28.048 7.254 1.00 1.02 H new ATOM 0 HA2 GLY A 19 8.533 27.276 7.184 1.00 0.95 H new ATOM 0 HA3 GLY A 19 7.160 26.216 6.934 1.00 0.95 H new ATOM 262 N ARG A 20 8.302 26.791 4.450 1.00 0.86 N ATOM 263 CA ARG A 20 8.324 27.066 3.014 1.00 0.86 C ATOM 264 C ARG A 20 7.838 25.848 2.213 1.00 0.80 C ATOM 265 O ARG A 20 7.589 24.787 2.785 1.00 0.78 O ATOM 266 CB ARG A 20 9.732 27.425 2.584 1.00 0.94 C ATOM 267 CG ARG A 20 10.262 28.661 3.269 1.00 1.13 C ATOM 268 CD ARG A 20 11.321 28.332 4.306 1.00 1.55 C ATOM 269 NE ARG A 20 12.306 27.374 3.810 1.00 1.82 N ATOM 270 CZ ARG A 20 13.226 26.801 4.581 1.00 2.25 C ATOM 271 NH1 ARG A 20 13.300 27.104 5.871 1.00 2.59 N ATOM 272 NH2 ARG A 20 14.079 25.928 4.062 1.00 2.92 N ATOM 0 H ARG A 20 8.885 26.007 4.742 1.00 0.86 H new ATOM 0 HA ARG A 20 7.653 27.901 2.815 1.00 0.86 H new ATOM 0 HB2 ARG A 20 10.395 26.586 2.796 1.00 0.94 H new ATOM 0 HB3 ARG A 20 9.748 27.579 1.505 1.00 0.94 H new ATOM 0 HG2 ARG A 20 10.683 29.335 2.523 1.00 1.13 H new ATOM 0 HG3 ARG A 20 9.438 29.190 3.748 1.00 1.13 H new ATOM 0 HD2 ARG A 20 11.829 29.249 4.607 1.00 1.55 H new ATOM 0 HD3 ARG A 20 10.840 27.927 5.197 1.00 1.55 H new ATOM 0 HE ARG A 20 12.287 27.132 2.819 1.00 1.82 H new ATOM 0 HH11 ARG A 20 12.650 27.778 6.275 1.00 2.59 H new ATOM 0 HH12 ARG A 20 14.007 26.662 6.459 1.00 2.59 H new ATOM 0 HH21 ARG A 20 14.030 25.695 3.070 1.00 2.92 H new ATOM 0 HH22 ARG A 20 14.784 25.490 4.655 1.00 2.92 H new ATOM 286 N CYS A 21 7.690 26.002 0.891 1.00 0.82 N ATOM 287 CA CYS A 21 7.219 24.898 0.043 1.00 0.81 C ATOM 288 C CYS A 21 8.345 24.315 -0.819 1.00 0.84 C ATOM 289 O CYS A 21 9.340 24.984 -1.101 1.00 1.04 O ATOM 290 CB CYS A 21 6.095 25.380 -0.881 1.00 0.91 C ATOM 291 SG CYS A 21 4.447 25.407 -0.112 1.00 1.10 S ATOM 0 H CYS A 21 7.887 26.868 0.390 1.00 0.82 H new ATOM 0 HA CYS A 21 6.853 24.119 0.712 1.00 0.81 H new ATOM 0 HB2 CYS A 21 6.335 26.384 -1.231 1.00 0.91 H new ATOM 0 HB3 CYS A 21 6.062 24.735 -1.759 1.00 0.91 H new ATOM 296 N PHE A 22 8.165 23.053 -1.230 1.00 0.76 N ATOM 297 CA PHE A 22 9.145 22.343 -2.066 1.00 0.83 C ATOM 298 C PHE A 22 8.450 21.428 -3.080 1.00 0.94 C ATOM 299 O PHE A 22 9.077 20.532 -3.645 1.00 1.43 O ATOM 300 CB PHE A 22 10.079 21.491 -1.198 1.00 0.85 C ATOM 301 CG PHE A 22 10.764 22.258 -0.108 1.00 0.84 C ATOM 302 CD1 PHE A 22 10.149 22.437 1.121 1.00 1.40 C ATOM 303 CD2 PHE A 22 12.019 22.807 -0.314 1.00 1.42 C ATOM 304 CE1 PHE A 22 10.775 23.151 2.126 1.00 1.51 C ATOM 305 CE2 PHE A 22 12.649 23.523 0.687 1.00 1.50 C ATOM 306 CZ PHE A 22 12.026 23.695 1.908 1.00 1.14 C ATOM 0 H PHE A 22 7.342 22.498 -0.995 1.00 0.76 H new ATOM 0 HA PHE A 22 9.721 23.099 -2.599 1.00 0.83 H new ATOM 0 HB2 PHE A 22 9.504 20.680 -0.752 1.00 0.85 H new ATOM 0 HB3 PHE A 22 10.835 21.033 -1.836 1.00 0.85 H new ATOM 0 HD1 PHE A 22 9.171 22.014 1.296 1.00 1.40 H new ATOM 0 HD2 PHE A 22 12.510 22.674 -1.266 1.00 1.42 H new ATOM 0 HE1 PHE A 22 10.287 23.283 3.080 1.00 1.51 H new ATOM 0 HE2 PHE A 22 13.627 23.947 0.515 1.00 1.50 H new ATOM 0 HZ PHE A 22 12.516 24.254 2.691 1.00 1.14 H new ATOM 316 N GLY A 23 7.158 21.653 -3.305 1.00 0.83 N ATOM 317 CA GLY A 23 6.413 20.832 -4.248 1.00 0.88 C ATOM 318 C GLY A 23 4.913 20.956 -4.052 1.00 0.88 C ATOM 319 O GLY A 23 4.421 22.037 -3.738 1.00 0.90 O ATOM 0 H GLY A 23 6.613 22.387 -2.853 1.00 0.83 H new ATOM 0 HA2 GLY A 23 6.671 21.125 -5.266 1.00 0.88 H new ATOM 0 HA3 GLY A 23 6.708 19.789 -4.132 1.00 0.88 H new ATOM 323 N PRO A 24 4.149 19.863 -4.237 1.00 1.01 N ATOM 324 CA PRO A 24 2.702 19.870 -4.080 1.00 1.07 C ATOM 325 C PRO A 24 2.265 19.538 -2.654 1.00 0.96 C ATOM 326 O PRO A 24 1.826 20.415 -1.913 1.00 1.03 O ATOM 327 CB PRO A 24 2.238 18.780 -5.055 1.00 1.32 C ATOM 328 CG PRO A 24 3.461 17.980 -5.413 1.00 1.50 C ATOM 329 CD PRO A 24 4.621 18.534 -4.622 1.00 1.24 C ATOM 0 HA PRO A 24 2.275 20.853 -4.280 1.00 1.07 H new ATOM 0 HB2 PRO A 24 1.480 18.146 -4.596 1.00 1.32 H new ATOM 0 HB3 PRO A 24 1.788 19.221 -5.945 1.00 1.32 H new ATOM 0 HG2 PRO A 24 3.309 16.926 -5.182 1.00 1.50 H new ATOM 0 HG3 PRO A 24 3.661 18.046 -6.482 1.00 1.50 H new ATOM 0 HD2 PRO A 24 4.847 17.918 -3.752 1.00 1.24 H new ATOM 0 HD3 PRO A 24 5.530 18.586 -5.221 1.00 1.24 H new ATOM 337 N SER A 25 2.395 18.271 -2.269 1.00 0.97 N ATOM 338 CA SER A 25 2.018 17.844 -0.924 1.00 0.92 C ATOM 339 C SER A 25 3.215 17.923 0.008 1.00 0.78 C ATOM 340 O SER A 25 3.384 17.077 0.883 1.00 0.81 O ATOM 341 CB SER A 25 1.475 16.401 -0.942 1.00 1.12 C ATOM 342 OG SER A 25 0.060 16.385 -0.921 1.00 1.26 O ATOM 0 H SER A 25 2.756 17.526 -2.865 1.00 0.97 H new ATOM 0 HA SER A 25 1.235 18.511 -0.564 1.00 0.92 H new ATOM 0 HB2 SER A 25 1.834 15.886 -1.833 1.00 1.12 H new ATOM 0 HB3 SER A 25 1.860 15.854 -0.081 1.00 1.12 H new ATOM 0 HG SER A 25 -0.257 15.458 -0.935 1.00 1.26 H new ATOM 348 N ILE A 26 4.066 18.922 -0.191 1.00 0.70 N ATOM 349 CA ILE A 26 5.250 19.042 0.631 1.00 0.61 C ATOM 350 C ILE A 26 5.579 20.490 1.032 1.00 0.58 C ATOM 351 O ILE A 26 6.228 21.224 0.285 1.00 0.73 O ATOM 352 CB ILE A 26 6.453 18.396 -0.097 1.00 0.60 C ATOM 353 CG1 ILE A 26 6.384 16.888 -0.027 1.00 0.79 C ATOM 354 CG2 ILE A 26 7.792 18.895 0.431 1.00 0.74 C ATOM 355 CD1 ILE A 26 7.024 16.203 -1.219 1.00 0.83 C ATOM 0 H ILE A 26 3.957 19.645 -0.902 1.00 0.70 H new ATOM 0 HA ILE A 26 5.043 18.514 1.562 1.00 0.61 H new ATOM 0 HB ILE A 26 6.385 18.702 -1.141 1.00 0.60 H new ATOM 0 HG12 ILE A 26 6.876 16.550 0.885 1.00 0.79 H new ATOM 0 HG13 ILE A 26 5.340 16.582 0.042 1.00 0.79 H new ATOM 0 HG21 ILE A 26 8.602 18.410 -0.114 1.00 0.74 H new ATOM 0 HG22 ILE A 26 7.858 19.974 0.294 1.00 0.74 H new ATOM 0 HG23 ILE A 26 7.876 18.658 1.492 1.00 0.74 H new ATOM 0 HD11 ILE A 26 6.940 15.122 -1.106 1.00 0.83 H new ATOM 0 HD12 ILE A 26 6.516 16.513 -2.132 1.00 0.83 H new ATOM 0 HD13 ILE A 26 8.076 16.481 -1.277 1.00 0.83 H new ATOM 367 N CYS A 27 5.187 20.856 2.252 1.00 0.56 N ATOM 368 CA CYS A 27 5.499 22.170 2.809 1.00 0.56 C ATOM 369 C CYS A 27 6.319 21.946 4.068 1.00 0.55 C ATOM 370 O CYS A 27 5.831 21.431 5.074 1.00 0.59 O ATOM 371 CB CYS A 27 4.237 22.974 3.115 1.00 0.60 C ATOM 372 SG CYS A 27 4.453 24.789 3.108 1.00 0.92 S ATOM 0 H CYS A 27 4.649 20.255 2.877 1.00 0.56 H new ATOM 0 HA CYS A 27 6.061 22.755 2.081 1.00 0.56 H new ATOM 0 HB2 CYS A 27 3.472 22.712 2.384 1.00 0.60 H new ATOM 0 HB3 CYS A 27 3.861 22.672 4.093 1.00 0.60 H new ATOM 377 N CYS A 28 7.586 22.280 3.957 1.00 0.56 N ATOM 378 CA CYS A 28 8.552 22.083 4.991 1.00 0.58 C ATOM 379 C CYS A 28 9.237 23.396 5.424 1.00 0.61 C ATOM 380 O CYS A 28 9.357 24.349 4.663 1.00 0.76 O ATOM 381 CB CYS A 28 9.523 21.037 4.473 1.00 0.65 C ATOM 382 SG CYS A 28 8.670 19.688 3.581 1.00 1.28 S ATOM 0 H CYS A 28 7.974 22.708 3.116 1.00 0.56 H new ATOM 0 HA CYS A 28 8.076 21.733 5.907 1.00 0.58 H new ATOM 0 HB2 CYS A 28 10.245 21.511 3.808 1.00 0.65 H new ATOM 0 HB3 CYS A 28 10.085 20.620 5.308 1.00 0.65 H new ATOM 387 N GLY A 29 9.839 23.315 6.621 1.00 0.62 N ATOM 388 CA GLY A 29 10.613 24.386 7.156 1.00 0.65 C ATOM 389 C GLY A 29 11.814 23.844 7.880 1.00 0.67 C ATOM 390 O GLY A 29 12.074 22.642 7.861 1.00 0.66 O ATOM 0 H GLY A 29 9.788 22.495 7.225 1.00 0.62 H new ATOM 0 HA2 GLY A 29 10.932 25.051 6.353 1.00 0.65 H new ATOM 0 HA3 GLY A 29 10.004 24.979 7.838 1.00 0.65 H new ATOM 394 N ASP A 30 12.527 24.725 8.527 1.00 0.72 N ATOM 395 CA ASP A 30 13.711 24.386 9.268 1.00 0.76 C ATOM 396 C ASP A 30 13.413 23.539 10.480 1.00 0.77 C ATOM 397 O ASP A 30 14.013 22.488 10.677 1.00 0.80 O ATOM 398 CB ASP A 30 14.502 25.639 9.650 1.00 0.84 C ATOM 399 CG ASP A 30 13.686 26.653 10.426 1.00 1.41 C ATOM 400 OD1 ASP A 30 12.531 26.915 10.030 1.00 1.92 O ATOM 401 OD2 ASP A 30 14.208 27.192 11.423 1.00 2.27 O ATOM 0 H ASP A 30 12.297 25.718 8.554 1.00 0.72 H new ATOM 0 HA ASP A 30 14.331 23.780 8.607 1.00 0.76 H new ATOM 0 HB2 ASP A 30 15.366 25.346 10.246 1.00 0.84 H new ATOM 0 HB3 ASP A 30 14.884 26.109 8.744 1.00 0.84 H new ATOM 406 N GLU A 31 12.507 24.004 11.291 1.00 0.78 N ATOM 407 CA GLU A 31 12.162 23.274 12.513 1.00 0.83 C ATOM 408 C GLU A 31 10.718 22.892 12.474 1.00 0.87 C ATOM 409 O GLU A 31 10.079 22.620 13.492 1.00 1.00 O ATOM 410 CB GLU A 31 12.436 24.133 13.737 1.00 0.90 C ATOM 411 CG GLU A 31 12.512 25.616 13.435 1.00 0.99 C ATOM 412 CD GLU A 31 12.685 26.457 14.682 1.00 1.14 C ATOM 413 OE1 GLU A 31 13.733 26.323 15.347 1.00 1.66 O ATOM 414 OE2 GLU A 31 11.774 27.252 14.992 1.00 1.64 O ATOM 0 H GLU A 31 11.991 24.872 11.147 1.00 0.78 H new ATOM 0 HA GLU A 31 12.775 22.375 12.575 1.00 0.83 H new ATOM 0 HB2 GLU A 31 11.651 23.961 14.474 1.00 0.90 H new ATOM 0 HB3 GLU A 31 13.375 23.815 14.191 1.00 0.90 H new ATOM 0 HG2 GLU A 31 13.345 25.803 12.757 1.00 0.99 H new ATOM 0 HG3 GLU A 31 11.604 25.924 12.917 1.00 0.99 H new ATOM 421 N LEU A 32 10.212 22.921 11.256 1.00 0.82 N ATOM 422 CA LEU A 32 8.868 22.628 10.925 1.00 0.88 C ATOM 423 C LEU A 32 8.891 21.364 10.100 1.00 0.82 C ATOM 424 O LEU A 32 7.872 20.716 9.878 1.00 0.90 O ATOM 425 CB LEU A 32 8.336 23.805 10.135 1.00 0.93 C ATOM 426 CG LEU A 32 7.154 24.563 10.747 1.00 1.15 C ATOM 427 CD1 LEU A 32 6.780 25.740 9.866 1.00 1.24 C ATOM 428 CD2 LEU A 32 5.955 23.653 10.954 1.00 1.37 C ATOM 0 H LEU A 32 10.774 23.165 10.441 1.00 0.82 H new ATOM 0 HA LEU A 32 8.228 22.475 11.794 1.00 0.88 H new ATOM 0 HB2 LEU A 32 9.152 24.511 9.984 1.00 0.93 H new ATOM 0 HB3 LEU A 32 8.038 23.447 9.149 1.00 0.93 H new ATOM 0 HG LEU A 32 7.460 24.932 11.726 1.00 1.15 H new ATOM 0 HD11 LEU A 32 5.939 26.273 10.309 1.00 1.24 H new ATOM 0 HD12 LEU A 32 7.632 26.415 9.779 1.00 1.24 H new ATOM 0 HD13 LEU A 32 6.500 25.379 8.876 1.00 1.24 H new ATOM 0 HD21 LEU A 32 5.135 24.224 11.390 1.00 1.37 H new ATOM 0 HD22 LEU A 32 5.641 23.241 9.995 1.00 1.37 H new ATOM 0 HD23 LEU A 32 6.228 22.839 11.626 1.00 1.37 H new ATOM 440 N GLY A 33 10.106 21.012 9.684 1.00 0.73 N ATOM 441 CA GLY A 33 10.325 19.829 8.939 1.00 0.71 C ATOM 442 C GLY A 33 9.457 19.707 7.734 1.00 0.67 C ATOM 443 O GLY A 33 9.296 20.663 6.995 1.00 0.65 O ATOM 0 H GLY A 33 10.949 21.556 9.867 1.00 0.73 H new ATOM 0 HA2 GLY A 33 11.369 19.795 8.628 1.00 0.71 H new ATOM 0 HA3 GLY A 33 10.157 18.968 9.585 1.00 0.71 H new ATOM 447 N CYS A 34 8.876 18.534 7.541 1.00 0.70 N ATOM 448 CA CYS A 34 8.061 18.333 6.385 1.00 0.69 C ATOM 449 C CYS A 34 6.676 17.808 6.638 1.00 0.65 C ATOM 450 O CYS A 34 6.522 16.685 7.103 1.00 0.62 O ATOM 451 CB CYS A 34 8.776 17.332 5.517 1.00 0.73 C ATOM 452 SG CYS A 34 9.682 18.019 4.103 1.00 1.08 S ATOM 0 H CYS A 34 8.959 17.730 8.163 1.00 0.70 H new ATOM 0 HA CYS A 34 7.922 19.316 5.934 1.00 0.69 H new ATOM 0 HB2 CYS A 34 9.478 16.776 6.139 1.00 0.73 H new ATOM 0 HB3 CYS A 34 8.045 16.616 5.143 1.00 0.73 H new ATOM 457 N PHE A 35 5.652 18.565 6.238 1.00 0.68 N ATOM 458 CA PHE A 35 4.328 18.065 6.315 1.00 0.67 C ATOM 459 C PHE A 35 4.174 17.551 4.922 1.00 0.64 C ATOM 460 O PHE A 35 4.076 18.341 3.979 1.00 0.63 O ATOM 461 CB PHE A 35 3.326 19.189 6.592 1.00 0.69 C ATOM 462 CG PHE A 35 3.602 19.894 7.875 1.00 0.73 C ATOM 463 CD1 PHE A 35 4.741 20.660 8.003 1.00 0.98 C ATOM 464 CD2 PHE A 35 2.754 19.763 8.964 1.00 1.16 C ATOM 465 CE1 PHE A 35 5.038 21.285 9.188 1.00 1.21 C ATOM 466 CE2 PHE A 35 3.043 20.396 10.159 1.00 1.38 C ATOM 467 CZ PHE A 35 4.189 21.157 10.271 1.00 1.26 C ATOM 0 H PHE A 35 5.738 19.511 5.866 1.00 0.68 H new ATOM 0 HA PHE A 35 4.155 17.336 7.107 1.00 0.67 H new ATOM 0 HB2 PHE A 35 3.355 19.907 5.773 1.00 0.69 H new ATOM 0 HB3 PHE A 35 2.318 18.775 6.618 1.00 0.69 H new ATOM 0 HD1 PHE A 35 5.408 20.770 7.160 1.00 0.98 H new ATOM 0 HD2 PHE A 35 1.861 19.162 8.878 1.00 1.16 H new ATOM 0 HE1 PHE A 35 5.937 21.878 9.274 1.00 1.21 H new ATOM 0 HE2 PHE A 35 2.375 20.295 11.001 1.00 1.38 H new ATOM 0 HZ PHE A 35 4.422 21.651 11.203 1.00 1.26 H new ATOM 477 N VAL A 36 4.227 16.258 4.751 1.00 0.67 N ATOM 478 CA VAL A 36 4.158 15.735 3.426 1.00 0.68 C ATOM 479 C VAL A 36 2.782 15.177 3.155 1.00 0.71 C ATOM 480 O VAL A 36 2.482 14.000 3.377 1.00 0.74 O ATOM 481 CB VAL A 36 5.296 14.727 3.092 1.00 0.74 C ATOM 482 CG1 VAL A 36 5.483 14.670 1.576 1.00 0.75 C ATOM 483 CG2 VAL A 36 6.630 15.118 3.779 1.00 0.76 C ATOM 0 H VAL A 36 4.316 15.567 5.496 1.00 0.67 H new ATOM 0 HA VAL A 36 4.327 16.567 2.742 1.00 0.68 H new ATOM 0 HB VAL A 36 5.010 13.746 3.472 1.00 0.74 H new ATOM 0 HG11 VAL A 36 6.279 13.966 1.334 1.00 0.75 H new ATOM 0 HG12 VAL A 36 4.555 14.344 1.107 1.00 0.75 H new ATOM 0 HG13 VAL A 36 5.749 15.660 1.205 1.00 0.75 H new ATOM 0 HG21 VAL A 36 7.399 14.390 3.521 1.00 0.76 H new ATOM 0 HG22 VAL A 36 6.938 16.107 3.439 1.00 0.76 H new ATOM 0 HG23 VAL A 36 6.492 15.132 4.860 1.00 0.76 H new ATOM 493 N GLY A 37 1.935 16.075 2.686 1.00 0.71 N ATOM 494 CA GLY A 37 0.567 15.688 2.350 1.00 0.76 C ATOM 495 C GLY A 37 -0.528 16.414 3.111 1.00 0.72 C ATOM 496 O GLY A 37 -1.520 16.830 2.509 1.00 0.81 O ATOM 0 H GLY A 37 2.158 17.058 2.530 1.00 0.71 H new ATOM 0 HA2 GLY A 37 0.414 15.853 1.284 1.00 0.76 H new ATOM 0 HA3 GLY A 37 0.458 14.618 2.526 1.00 0.76 H new ATOM 500 N THR A 38 -0.383 16.528 4.428 1.00 0.68 N ATOM 501 CA THR A 38 -1.397 17.182 5.259 1.00 0.68 C ATOM 502 C THR A 38 -1.841 18.516 4.670 1.00 0.72 C ATOM 503 O THR A 38 -1.395 18.909 3.590 1.00 0.77 O ATOM 504 CB THR A 38 -0.894 17.352 6.683 1.00 0.72 C ATOM 505 OG1 THR A 38 -1.792 18.130 7.453 1.00 0.77 O ATOM 506 CG2 THR A 38 0.458 17.997 6.756 1.00 0.76 C ATOM 0 H THR A 38 0.424 16.178 4.945 1.00 0.68 H new ATOM 0 HA THR A 38 -2.274 16.534 5.279 1.00 0.68 H new ATOM 0 HB THR A 38 -0.820 16.341 7.084 1.00 0.72 H new ATOM 0 HG1 THR A 38 -1.446 18.223 8.365 1.00 0.77 H new ATOM 0 HG21 THR A 38 0.761 18.090 7.799 1.00 0.76 H new ATOM 0 HG22 THR A 38 1.183 17.384 6.221 1.00 0.76 H new ATOM 0 HG23 THR A 38 0.414 18.987 6.301 1.00 0.76 H new ATOM 514 N ALA A 39 -2.680 19.254 5.393 1.00 0.77 N ATOM 515 CA ALA A 39 -3.159 20.543 4.922 1.00 0.86 C ATOM 516 C ALA A 39 -2.072 21.598 4.919 1.00 0.82 C ATOM 517 O ALA A 39 -2.134 22.555 4.151 1.00 0.86 O ATOM 518 CB ALA A 39 -4.300 21.006 5.821 1.00 1.02 C ATOM 0 H ALA A 39 -3.040 18.978 6.307 1.00 0.77 H new ATOM 0 HA ALA A 39 -3.496 20.415 3.893 1.00 0.86 H new ATOM 0 HB1 ALA A 39 -4.666 21.973 5.475 1.00 1.02 H new ATOM 0 HB2 ALA A 39 -5.110 20.277 5.785 1.00 1.02 H new ATOM 0 HB3 ALA A 39 -3.941 21.099 6.846 1.00 1.02 H new ATOM 524 N GLU A 40 -1.056 21.403 5.742 1.00 0.78 N ATOM 525 CA GLU A 40 0.047 22.344 5.807 1.00 0.79 C ATOM 526 C GLU A 40 0.735 22.462 4.457 1.00 0.74 C ATOM 527 O GLU A 40 1.325 23.490 4.149 1.00 0.79 O ATOM 528 CB GLU A 40 1.040 21.909 6.884 1.00 0.82 C ATOM 529 CG GLU A 40 0.687 22.414 8.274 1.00 1.25 C ATOM 530 CD GLU A 40 -0.289 21.509 9.002 1.00 1.55 C ATOM 531 OE1 GLU A 40 0.167 20.548 9.657 1.00 1.91 O ATOM 532 OE2 GLU A 40 -1.510 21.763 8.921 1.00 2.32 O ATOM 0 H GLU A 40 -0.973 20.605 6.372 1.00 0.78 H new ATOM 0 HA GLU A 40 -0.346 23.326 6.069 1.00 0.79 H new ATOM 0 HB2 GLU A 40 1.089 20.820 6.903 1.00 0.82 H new ATOM 0 HB3 GLU A 40 2.034 22.268 6.617 1.00 0.82 H new ATOM 0 HG2 GLU A 40 1.599 22.505 8.864 1.00 1.25 H new ATOM 0 HG3 GLU A 40 0.258 23.413 8.194 1.00 1.25 H new ATOM 539 N ALA A 41 0.681 21.400 3.662 1.00 0.70 N ATOM 540 CA ALA A 41 1.309 21.378 2.367 1.00 0.71 C ATOM 541 C ALA A 41 0.344 21.792 1.282 1.00 0.78 C ATOM 542 O ALA A 41 0.758 22.271 0.233 1.00 0.87 O ATOM 543 CB ALA A 41 1.833 19.977 2.076 1.00 0.77 C ATOM 0 H ALA A 41 0.198 20.535 3.906 1.00 0.70 H new ATOM 0 HA ALA A 41 2.135 22.089 2.378 1.00 0.71 H new ATOM 0 HB1 ALA A 41 2.308 19.963 1.095 1.00 0.77 H new ATOM 0 HB2 ALA A 41 2.562 19.696 2.836 1.00 0.77 H new ATOM 0 HB3 ALA A 41 1.004 19.269 2.088 1.00 0.77 H new ATOM 549 N LEU A 42 -0.946 21.653 1.550 1.00 0.81 N ATOM 550 CA LEU A 42 -1.959 22.037 0.584 1.00 0.94 C ATOM 551 C LEU A 42 -1.698 23.431 0.061 1.00 1.05 C ATOM 552 O LEU A 42 -1.846 23.704 -1.130 1.00 1.23 O ATOM 553 CB LEU A 42 -3.340 21.974 1.211 1.00 0.98 C ATOM 554 CG LEU A 42 -4.091 20.664 0.983 1.00 1.02 C ATOM 555 CD1 LEU A 42 -5.186 20.484 2.025 1.00 1.11 C ATOM 556 CD2 LEU A 42 -4.668 20.625 -0.423 1.00 1.16 C ATOM 0 H LEU A 42 -1.313 21.279 2.425 1.00 0.81 H new ATOM 0 HA LEU A 42 -1.914 21.336 -0.249 1.00 0.94 H new ATOM 0 HB2 LEU A 42 -3.244 22.138 2.284 1.00 0.98 H new ATOM 0 HB3 LEU A 42 -3.940 22.793 0.816 1.00 0.98 H new ATOM 0 HG LEU A 42 -3.388 19.838 1.088 1.00 1.02 H new ATOM 0 HD11 LEU A 42 -5.709 19.545 1.845 1.00 1.11 H new ATOM 0 HD12 LEU A 42 -4.742 20.467 3.020 1.00 1.11 H new ATOM 0 HD13 LEU A 42 -5.892 21.311 1.957 1.00 1.11 H new ATOM 0 HD21 LEU A 42 -5.201 19.686 -0.572 1.00 1.16 H new ATOM 0 HD22 LEU A 42 -5.358 21.458 -0.556 1.00 1.16 H new ATOM 0 HD23 LEU A 42 -3.860 20.703 -1.150 1.00 1.16 H new ATOM 568 N ARG A 43 -1.282 24.308 0.956 1.00 1.04 N ATOM 569 CA ARG A 43 -0.970 25.662 0.573 1.00 1.23 C ATOM 570 C ARG A 43 0.068 25.655 -0.504 1.00 1.24 C ATOM 571 O ARG A 43 0.216 26.662 -1.208 1.00 1.46 O ATOM 572 CB ARG A 43 -0.404 26.461 1.753 1.00 1.32 C ATOM 573 CG ARG A 43 -1.167 27.728 2.115 1.00 1.34 C ATOM 574 CD ARG A 43 -0.701 28.940 1.315 1.00 1.50 C ATOM 575 NE ARG A 43 0.151 29.824 2.116 1.00 1.88 N ATOM 576 CZ ARG A 43 -0.041 31.138 2.262 1.00 2.20 C ATOM 577 NH1 ARG A 43 -1.053 31.751 1.658 1.00 2.39 N ATOM 578 NH2 ARG A 43 0.787 31.846 3.020 1.00 2.92 N ATOM 0 H ARG A 43 -1.155 24.103 1.947 1.00 1.04 H new ATOM 0 HA ARG A 43 -1.895 26.124 0.229 1.00 1.23 H new ATOM 0 HB2 ARG A 43 -0.377 25.812 2.628 1.00 1.32 H new ATOM 0 HB3 ARG A 43 0.627 26.732 1.524 1.00 1.32 H new ATOM 0 HG2 ARG A 43 -2.231 27.569 1.941 1.00 1.34 H new ATOM 0 HG3 ARG A 43 -1.045 27.930 3.179 1.00 1.34 H new ATOM 0 HD2 ARG A 43 -0.152 28.606 0.435 1.00 1.50 H new ATOM 0 HD3 ARG A 43 -1.568 29.496 0.958 1.00 1.50 H new ATOM 0 HE ARG A 43 0.948 29.406 2.596 1.00 1.88 H new ATOM 0 HH11 ARG A 43 -1.696 31.218 1.073 1.00 2.39 H new ATOM 0 HH12 ARG A 43 -1.187 32.755 1.779 1.00 2.39 H new ATOM 0 HH21 ARG A 43 1.568 31.387 3.489 1.00 2.92 H new ATOM 0 HH22 ARG A 43 0.643 32.849 3.133 1.00 2.92 H new ATOM 592 N CYS A 44 0.810 24.555 -0.716 1.00 1.08 N ATOM 593 CA CYS A 44 1.821 24.567 -1.756 1.00 1.15 C ATOM 594 C CYS A 44 1.214 24.462 -3.140 1.00 1.41 C ATOM 595 O CYS A 44 1.933 24.508 -4.134 1.00 1.57 O ATOM 596 CB CYS A 44 2.748 23.350 -1.551 1.00 1.04 C ATOM 597 SG CYS A 44 3.879 23.462 -0.126 1.00 1.28 S ATOM 0 H CYS A 44 0.726 23.682 -0.196 1.00 1.08 H new ATOM 0 HA CYS A 44 2.363 25.510 -1.687 1.00 1.15 H new ATOM 0 HB2 CYS A 44 2.130 22.459 -1.434 1.00 1.04 H new ATOM 0 HB3 CYS A 44 3.341 23.210 -2.455 1.00 1.04 H new ATOM 602 N GLN A 45 -0.105 24.386 -3.213 1.00 1.55 N ATOM 603 CA GLN A 45 -0.781 24.316 -4.496 1.00 1.86 C ATOM 604 C GLN A 45 -0.482 25.563 -5.317 1.00 2.09 C ATOM 605 O GLN A 45 -0.593 25.558 -6.546 1.00 2.35 O ATOM 606 CB GLN A 45 -2.288 24.162 -4.302 1.00 1.97 C ATOM 607 CG GLN A 45 -3.042 23.884 -5.592 1.00 2.40 C ATOM 608 CD GLN A 45 -2.688 22.540 -6.198 1.00 2.73 C ATOM 609 OE1 GLN A 45 -2.839 21.498 -5.560 1.00 3.31 O ATOM 610 NE2 GLN A 45 -2.214 22.558 -7.439 1.00 3.02 N ATOM 0 H GLN A 45 -0.725 24.371 -2.403 1.00 1.55 H new ATOM 0 HA GLN A 45 -0.411 23.443 -5.033 1.00 1.86 H new ATOM 0 HB2 GLN A 45 -2.474 23.350 -3.600 1.00 1.97 H new ATOM 0 HB3 GLN A 45 -2.682 25.072 -3.849 1.00 1.97 H new ATOM 0 HG2 GLN A 45 -4.114 23.919 -5.396 1.00 2.40 H new ATOM 0 HG3 GLN A 45 -2.824 24.672 -6.313 1.00 2.40 H new ATOM 0 HE21 GLN A 45 -2.105 23.445 -7.931 1.00 3.02 H new ATOM 0 HE22 GLN A 45 -1.959 21.685 -7.900 1.00 3.02 H new ATOM 619 N GLU A 46 -0.081 26.637 -4.646 1.00 2.07 N ATOM 620 CA GLU A 46 0.211 27.871 -5.364 1.00 2.35 C ATOM 621 C GLU A 46 1.645 27.881 -5.877 1.00 2.34 C ATOM 622 O GLU A 46 2.080 28.837 -6.524 1.00 2.50 O ATOM 623 CB GLU A 46 -0.021 29.083 -4.460 1.00 2.41 C ATOM 624 CG GLU A 46 -1.477 29.290 -4.080 1.00 2.80 C ATOM 625 CD GLU A 46 -1.648 30.341 -3.001 1.00 3.19 C ATOM 626 OE1 GLU A 46 -1.076 30.164 -1.904 1.00 3.53 O ATOM 627 OE2 GLU A 46 -2.352 31.342 -3.252 1.00 3.69 O ATOM 0 H GLU A 46 0.047 26.680 -3.635 1.00 2.07 H new ATOM 0 HA GLU A 46 -0.463 27.926 -6.219 1.00 2.35 H new ATOM 0 HB2 GLU A 46 0.570 28.966 -3.551 1.00 2.41 H new ATOM 0 HB3 GLU A 46 0.344 29.977 -4.965 1.00 2.41 H new ATOM 0 HG2 GLU A 46 -2.042 29.585 -4.964 1.00 2.80 H new ATOM 0 HG3 GLU A 46 -1.897 28.346 -3.734 1.00 2.80 H new ATOM 634 N GLU A 47 2.355 26.783 -5.650 1.00 2.22 N ATOM 635 CA GLU A 47 3.712 26.652 -6.136 1.00 2.31 C ATOM 636 C GLU A 47 3.696 26.208 -7.594 1.00 2.34 C ATOM 637 O GLU A 47 4.746 25.986 -8.200 1.00 2.42 O ATOM 638 CB GLU A 47 4.483 25.645 -5.283 1.00 2.37 C ATOM 639 CG GLU A 47 5.908 26.068 -4.977 1.00 2.96 C ATOM 640 CD GLU A 47 6.892 24.924 -5.115 1.00 3.45 C ATOM 641 OE1 GLU A 47 7.174 24.519 -6.262 1.00 3.68 O ATOM 642 OE2 GLU A 47 7.376 24.430 -4.075 1.00 3.99 O ATOM 0 H GLU A 47 2.010 25.975 -5.133 1.00 2.22 H new ATOM 0 HA GLU A 47 4.211 27.619 -6.066 1.00 2.31 H new ATOM 0 HB2 GLU A 47 3.949 25.493 -4.345 1.00 2.37 H new ATOM 0 HB3 GLU A 47 4.501 24.685 -5.798 1.00 2.37 H new ATOM 0 HG2 GLU A 47 6.197 26.875 -5.650 1.00 2.96 H new ATOM 0 HG3 GLU A 47 5.957 26.465 -3.963 1.00 2.96 H new ATOM 769 N SER A 56 19.036 30.700 -2.045 1.00 2.28 N ATOM 770 CA SER A 56 19.701 29.420 -1.965 1.00 2.07 C ATOM 771 C SER A 56 19.765 28.979 -0.510 1.00 1.82 C ATOM 772 O SER A 56 19.905 29.810 0.389 1.00 2.22 O ATOM 773 CB SER A 56 21.114 29.535 -2.541 1.00 2.60 C ATOM 774 OG SER A 56 21.671 28.260 -2.802 1.00 3.12 O ATOM 0 HA SER A 56 19.145 28.681 -2.542 1.00 2.07 H new ATOM 0 HB2 SER A 56 21.087 30.117 -3.462 1.00 2.60 H new ATOM 0 HB3 SER A 56 21.751 30.076 -1.841 1.00 2.60 H new ATOM 0 HG SER A 56 22.573 28.366 -3.171 1.00 3.12 H new ATOM 780 N GLY A 57 19.647 27.684 -0.274 1.00 1.58 N ATOM 781 CA GLY A 57 19.694 27.189 1.085 1.00 1.86 C ATOM 782 C GLY A 57 19.505 25.695 1.179 1.00 1.68 C ATOM 783 O GLY A 57 20.474 24.940 1.188 1.00 2.10 O ATOM 0 H GLY A 57 19.520 26.971 -0.992 1.00 1.58 H new ATOM 0 HA2 GLY A 57 20.653 27.456 1.529 1.00 1.86 H new ATOM 0 HA3 GLY A 57 18.921 27.684 1.672 1.00 1.86 H new ATOM 787 N GLN A 58 18.257 25.265 1.243 1.00 1.37 N ATOM 788 CA GLN A 58 17.930 23.889 1.336 1.00 1.46 C ATOM 789 C GLN A 58 17.078 23.544 0.146 1.00 1.08 C ATOM 790 O GLN A 58 15.856 23.491 0.225 1.00 1.00 O ATOM 791 CB GLN A 58 17.199 23.651 2.652 1.00 1.97 C ATOM 792 CG GLN A 58 18.016 24.082 3.857 1.00 2.80 C ATOM 793 CD GLN A 58 17.766 23.222 5.077 1.00 3.61 C ATOM 794 OE1 GLN A 58 16.672 23.226 5.642 1.00 3.96 O ATOM 795 NE2 GLN A 58 18.787 22.483 5.494 1.00 4.36 N ATOM 0 H GLN A 58 17.447 25.884 1.230 1.00 1.37 H new ATOM 0 HA GLN A 58 18.816 23.254 1.329 1.00 1.46 H new ATOM 0 HB2 GLN A 58 16.255 24.196 2.643 1.00 1.97 H new ATOM 0 HB3 GLN A 58 16.955 22.592 2.742 1.00 1.97 H new ATOM 0 HG2 GLN A 58 19.075 24.045 3.603 1.00 2.80 H new ATOM 0 HG3 GLN A 58 17.782 25.119 4.096 1.00 2.80 H new ATOM 0 HE21 GLN A 58 19.675 22.512 4.994 1.00 4.36 H new ATOM 0 HE22 GLN A 58 18.683 21.886 6.315 1.00 4.36 H new ATOM 804 N LYS A 59 17.736 23.224 -0.935 1.00 1.17 N ATOM 805 CA LYS A 59 17.050 22.867 -2.148 1.00 1.13 C ATOM 806 C LYS A 59 17.764 21.663 -2.707 1.00 0.95 C ATOM 807 O LYS A 59 17.143 20.650 -2.938 1.00 0.88 O ATOM 808 CB LYS A 59 17.004 23.990 -3.238 1.00 1.54 C ATOM 809 CG LYS A 59 17.890 25.224 -3.033 1.00 1.90 C ATOM 810 CD LYS A 59 18.122 25.953 -4.364 1.00 2.17 C ATOM 811 CE LYS A 59 18.017 27.465 -4.213 1.00 2.82 C ATOM 812 NZ LYS A 59 17.446 28.123 -5.425 1.00 3.55 N ATOM 0 H LYS A 59 18.754 23.203 -1.001 1.00 1.17 H new ATOM 0 HA LYS A 59 16.007 22.678 -1.895 1.00 1.13 H new ATOM 0 HB2 LYS A 59 17.273 23.540 -4.194 1.00 1.54 H new ATOM 0 HB3 LYS A 59 15.972 24.330 -3.325 1.00 1.54 H new ATOM 0 HG2 LYS A 59 17.420 25.901 -2.319 1.00 1.90 H new ATOM 0 HG3 LYS A 59 18.847 24.924 -2.605 1.00 1.90 H new ATOM 0 HD2 LYS A 59 19.108 25.695 -4.751 1.00 2.17 H new ATOM 0 HD3 LYS A 59 17.392 25.610 -5.097 1.00 2.17 H new ATOM 0 HE2 LYS A 59 17.394 27.698 -3.350 1.00 2.82 H new ATOM 0 HE3 LYS A 59 19.006 27.876 -4.012 1.00 2.82 H new ATOM 0 HZ1 LYS A 59 17.396 29.150 -5.271 1.00 3.55 H new ATOM 0 HZ2 LYS A 59 18.053 27.925 -6.246 1.00 3.55 H new ATOM 0 HZ3 LYS A 59 16.491 27.753 -5.604 1.00 3.55 H new ATOM 826 N PRO A 60 19.049 21.686 -2.886 1.00 1.06 N ATOM 827 CA PRO A 60 19.749 20.520 -3.359 1.00 1.15 C ATOM 828 C PRO A 60 20.136 19.537 -2.258 1.00 1.10 C ATOM 829 O PRO A 60 21.047 19.774 -1.462 1.00 1.23 O ATOM 830 CB PRO A 60 20.989 21.126 -3.983 1.00 1.48 C ATOM 831 CG PRO A 60 21.278 22.279 -3.073 1.00 1.54 C ATOM 832 CD PRO A 60 19.925 22.805 -2.652 1.00 1.30 C ATOM 0 HA PRO A 60 19.132 19.924 -4.031 1.00 1.15 H new ATOM 0 HB2 PRO A 60 21.816 20.416 -4.014 1.00 1.48 H new ATOM 0 HB3 PRO A 60 20.810 21.452 -5.007 1.00 1.48 H new ATOM 0 HG2 PRO A 60 21.862 21.961 -2.209 1.00 1.54 H new ATOM 0 HG3 PRO A 60 21.857 23.048 -3.584 1.00 1.54 H new ATOM 0 HD2 PRO A 60 19.919 23.109 -1.605 1.00 1.30 H new ATOM 0 HD3 PRO A 60 19.631 23.676 -3.238 1.00 1.30 H new ATOM 840 N CYS A 61 19.437 18.421 -2.267 1.00 1.08 N ATOM 841 CA CYS A 61 19.654 17.335 -1.337 1.00 1.13 C ATOM 842 C CYS A 61 19.453 16.020 -2.073 1.00 1.36 C ATOM 843 O CYS A 61 19.124 16.029 -3.260 1.00 1.54 O ATOM 844 CB CYS A 61 18.719 17.441 -0.143 1.00 1.30 C ATOM 845 SG CYS A 61 19.373 16.665 1.369 1.00 1.59 S ATOM 0 H CYS A 61 18.687 18.241 -2.935 1.00 1.08 H new ATOM 0 HA CYS A 61 20.672 17.385 -0.949 1.00 1.13 H new ATOM 0 HB2 CYS A 61 18.517 18.493 0.057 1.00 1.30 H new ATOM 0 HB3 CYS A 61 17.766 16.976 -0.396 1.00 1.30 H new ATOM 850 N GLY A 62 19.552 14.902 -1.358 1.00 1.60 N ATOM 851 CA GLY A 62 19.296 13.606 -1.966 1.00 1.92 C ATOM 852 C GLY A 62 19.702 13.505 -3.431 1.00 2.10 C ATOM 853 O GLY A 62 20.420 14.347 -3.963 1.00 2.43 O ATOM 0 H GLY A 62 19.804 14.870 -0.370 1.00 1.60 H new ATOM 0 HA2 GLY A 62 19.829 12.842 -1.401 1.00 1.92 H new ATOM 0 HA3 GLY A 62 18.233 13.382 -1.880 1.00 1.92 H new ATOM 857 N SER A 63 19.225 12.458 -4.062 1.00 2.43 N ATOM 858 CA SER A 63 19.469 12.169 -5.464 1.00 2.98 C ATOM 859 C SER A 63 18.498 12.939 -6.367 1.00 2.74 C ATOM 860 O SER A 63 17.965 12.428 -7.346 1.00 3.32 O ATOM 861 CB SER A 63 19.368 10.669 -5.743 1.00 3.86 C ATOM 862 OG SER A 63 20.394 10.244 -6.628 1.00 4.11 O ATOM 0 H SER A 63 18.638 11.760 -3.604 1.00 2.43 H new ATOM 0 HA SER A 63 20.484 12.496 -5.691 1.00 2.98 H new ATOM 0 HB2 SER A 63 19.439 10.116 -4.806 1.00 3.86 H new ATOM 0 HB3 SER A 63 18.393 10.441 -6.175 1.00 3.86 H new ATOM 0 HG SER A 63 20.309 9.281 -6.789 1.00 4.11 H new ATOM 868 N GLY A 64 18.444 14.243 -6.083 1.00 2.15 N ATOM 869 CA GLY A 64 17.721 15.221 -6.915 1.00 2.11 C ATOM 870 C GLY A 64 16.638 15.991 -6.200 1.00 1.92 C ATOM 871 O GLY A 64 15.876 16.742 -6.809 1.00 2.21 O ATOM 0 H GLY A 64 18.900 14.656 -5.269 1.00 2.15 H new ATOM 0 HA2 GLY A 64 18.441 15.930 -7.323 1.00 2.11 H new ATOM 0 HA3 GLY A 64 17.275 14.697 -7.760 1.00 2.11 H new ATOM 875 N GLY A 65 16.539 15.773 -4.886 1.00 1.62 N ATOM 876 CA GLY A 65 15.514 16.432 -4.094 1.00 1.62 C ATOM 877 C GLY A 65 16.057 17.575 -3.270 1.00 1.43 C ATOM 878 O GLY A 65 17.254 17.638 -3.007 1.00 1.62 O ATOM 0 H GLY A 65 17.152 15.151 -4.359 1.00 1.62 H new ATOM 0 HA2 GLY A 65 14.734 16.806 -4.757 1.00 1.62 H new ATOM 0 HA3 GLY A 65 15.047 15.702 -3.432 1.00 1.62 H new ATOM 882 N ARG A 66 15.178 18.501 -2.874 1.00 1.17 N ATOM 883 CA ARG A 66 15.618 19.652 -2.096 1.00 1.03 C ATOM 884 C ARG A 66 15.607 19.384 -0.644 1.00 0.94 C ATOM 885 O ARG A 66 14.824 18.570 -0.147 1.00 1.04 O ATOM 886 CB ARG A 66 14.860 20.948 -2.346 1.00 1.10 C ATOM 887 CG ARG A 66 13.726 20.856 -3.314 1.00 1.26 C ATOM 888 CD ARG A 66 14.145 20.257 -4.639 1.00 1.41 C ATOM 889 NE ARG A 66 14.441 21.286 -5.620 1.00 1.78 N ATOM 890 CZ ARG A 66 14.256 21.136 -6.923 1.00 2.30 C ATOM 891 NH1 ARG A 66 13.737 20.010 -7.400 1.00 2.55 N ATOM 892 NH2 ARG A 66 14.582 22.115 -7.751 1.00 3.02 N ATOM 0 H ARG A 66 14.179 18.474 -3.076 1.00 1.17 H new ATOM 0 HA ARG A 66 16.636 19.803 -2.456 1.00 1.03 H new ATOM 0 HB2 ARG A 66 14.473 21.311 -1.394 1.00 1.10 H new ATOM 0 HB3 ARG A 66 15.565 21.696 -2.710 1.00 1.10 H new ATOM 0 HG2 ARG A 66 12.930 20.251 -2.880 1.00 1.26 H new ATOM 0 HG3 ARG A 66 13.314 21.851 -3.482 1.00 1.26 H new ATOM 0 HD2 ARG A 66 15.024 19.629 -4.493 1.00 1.41 H new ATOM 0 HD3 ARG A 66 13.351 19.612 -5.015 1.00 1.41 H new ATOM 0 HE ARG A 66 14.813 22.175 -5.287 1.00 1.78 H new ATOM 0 HH11 ARG A 66 13.479 19.257 -6.762 1.00 2.55 H new ATOM 0 HH12 ARG A 66 13.596 19.899 -8.404 1.00 2.55 H new ATOM 0 HH21 ARG A 66 14.975 22.983 -7.386 1.00 3.02 H new ATOM 0 HH22 ARG A 66 14.441 22.002 -8.755 1.00 3.02 H new ATOM 906 N CYS A 67 16.472 20.092 0.057 1.00 0.87 N ATOM 907 CA CYS A 67 16.521 19.951 1.423 1.00 0.87 C ATOM 908 C CYS A 67 15.308 20.638 1.986 1.00 0.88 C ATOM 909 O CYS A 67 15.259 21.866 1.996 1.00 0.93 O ATOM 910 CB CYS A 67 17.816 20.534 1.975 1.00 0.93 C ATOM 911 SG CYS A 67 18.791 19.388 2.975 1.00 1.52 S ATOM 0 H CYS A 67 17.134 20.761 -0.336 1.00 0.87 H new ATOM 0 HA CYS A 67 16.513 18.900 1.710 1.00 0.87 H new ATOM 0 HB2 CYS A 67 18.428 20.879 1.142 1.00 0.93 H new ATOM 0 HB3 CYS A 67 17.577 21.409 2.579 1.00 0.93 H new ATOM 916 N ALA A 68 14.343 19.911 2.476 1.00 0.91 N ATOM 917 CA ALA A 68 13.211 20.587 3.047 1.00 0.98 C ATOM 918 C ALA A 68 13.652 20.979 4.426 1.00 0.98 C ATOM 919 O ALA A 68 13.504 22.114 4.876 1.00 1.07 O ATOM 920 CB ALA A 68 11.998 19.684 3.067 1.00 0.98 C ATOM 0 H ALA A 68 14.313 18.892 2.494 1.00 0.91 H new ATOM 0 HA ALA A 68 12.908 21.459 2.468 1.00 0.98 H new ATOM 0 HB1 ALA A 68 11.154 20.218 3.504 1.00 0.98 H new ATOM 0 HB2 ALA A 68 11.750 19.385 2.049 1.00 0.98 H new ATOM 0 HB3 ALA A 68 12.214 18.798 3.663 1.00 0.98 H new ATOM 926 N ALA A 69 14.032 19.949 5.122 1.00 0.92 N ATOM 927 CA ALA A 69 14.383 20.044 6.537 1.00 0.96 C ATOM 928 C ALA A 69 15.349 18.937 6.953 1.00 0.92 C ATOM 929 O ALA A 69 15.502 17.936 6.257 1.00 0.87 O ATOM 930 CB ALA A 69 13.123 19.952 7.370 1.00 1.00 C ATOM 0 H ALA A 69 14.113 19.008 4.737 1.00 0.92 H new ATOM 0 HA ALA A 69 14.878 21.001 6.701 1.00 0.96 H new ATOM 0 HB1 ALA A 69 13.380 20.022 8.427 1.00 1.00 H new ATOM 0 HB2 ALA A 69 12.451 20.768 7.105 1.00 1.00 H new ATOM 0 HB3 ALA A 69 12.629 18.999 7.179 1.00 1.00 H new ATOM 936 N ALA A 70 16.010 19.147 8.084 1.00 0.98 N ATOM 937 CA ALA A 70 16.992 18.204 8.627 1.00 1.00 C ATOM 938 C ALA A 70 16.689 16.724 8.339 1.00 1.04 C ATOM 939 O ALA A 70 15.638 16.206 8.712 1.00 1.24 O ATOM 940 CB ALA A 70 17.156 18.423 10.123 1.00 1.15 C ATOM 0 H ALA A 70 15.882 19.981 8.658 1.00 0.98 H new ATOM 0 HA ALA A 70 17.924 18.419 8.104 1.00 1.00 H new ATOM 0 HB1 ALA A 70 17.888 17.717 10.516 1.00 1.15 H new ATOM 0 HB2 ALA A 70 17.499 19.441 10.306 1.00 1.15 H new ATOM 0 HB3 ALA A 70 16.199 18.268 10.621 1.00 1.15 H new ATOM 946 N GLY A 71 17.654 16.055 7.688 1.00 1.15 N ATOM 947 CA GLY A 71 17.561 14.642 7.361 1.00 1.27 C ATOM 948 C GLY A 71 16.384 14.213 6.477 1.00 1.21 C ATOM 949 O GLY A 71 16.359 13.080 6.017 1.00 1.28 O ATOM 0 H GLY A 71 18.522 16.491 7.376 1.00 1.15 H new ATOM 0 HA2 GLY A 71 18.485 14.347 6.863 1.00 1.27 H new ATOM 0 HA3 GLY A 71 17.508 14.080 8.294 1.00 1.27 H new ATOM 953 N ILE A 72 15.476 15.118 6.162 1.00 1.12 N ATOM 954 CA ILE A 72 14.353 14.796 5.272 1.00 1.08 C ATOM 955 C ILE A 72 14.379 15.710 4.056 1.00 1.03 C ATOM 956 O ILE A 72 14.001 16.888 4.096 1.00 1.36 O ATOM 957 CB ILE A 72 13.003 14.812 5.995 1.00 1.52 C ATOM 958 CG1 ILE A 72 12.821 16.091 6.773 1.00 1.09 C ATOM 959 CG2 ILE A 72 12.871 13.593 6.895 1.00 2.27 C ATOM 960 CD1 ILE A 72 11.940 17.015 6.013 1.00 0.92 C ATOM 0 H ILE A 72 15.485 16.080 6.502 1.00 1.12 H new ATOM 0 HA ILE A 72 14.476 13.769 4.927 1.00 1.08 H new ATOM 0 HB ILE A 72 12.211 14.769 5.248 1.00 1.52 H new ATOM 0 HG12 ILE A 72 12.385 15.876 7.749 1.00 1.09 H new ATOM 0 HG13 ILE A 72 13.788 16.560 6.953 1.00 1.09 H new ATOM 0 HG21 ILE A 72 11.907 13.618 7.402 1.00 2.27 H new ATOM 0 HG22 ILE A 72 12.941 12.687 6.293 1.00 2.27 H new ATOM 0 HG23 ILE A 72 13.671 13.599 7.636 1.00 2.27 H new ATOM 0 HD11 ILE A 72 11.809 17.939 6.576 1.00 0.92 H new ATOM 0 HD12 ILE A 72 12.394 17.240 5.048 1.00 0.92 H new ATOM 0 HD13 ILE A 72 10.969 16.545 5.856 1.00 0.92 H new ATOM 972 N CYS A 73 14.900 15.141 2.979 1.00 0.82 N ATOM 973 CA CYS A 73 15.064 15.839 1.720 1.00 1.07 C ATOM 974 C CYS A 73 14.103 15.289 0.689 1.00 1.08 C ATOM 975 O CYS A 73 14.188 14.126 0.294 1.00 1.21 O ATOM 976 CB CYS A 73 16.497 15.710 1.243 1.00 1.19 C ATOM 977 SG CYS A 73 17.720 16.267 2.471 1.00 1.98 S ATOM 0 H CYS A 73 15.222 14.174 2.958 1.00 0.82 H new ATOM 0 HA CYS A 73 14.840 16.896 1.864 1.00 1.07 H new ATOM 0 HB2 CYS A 73 16.696 14.669 0.990 1.00 1.19 H new ATOM 0 HB3 CYS A 73 16.621 16.290 0.328 1.00 1.19 H new ATOM 982 N CYS A 74 13.145 16.110 0.314 1.00 0.98 N ATOM 983 CA CYS A 74 12.119 15.696 -0.617 1.00 0.99 C ATOM 984 C CYS A 74 12.540 15.811 -2.077 1.00 1.15 C ATOM 985 O CYS A 74 13.073 16.825 -2.524 1.00 1.33 O ATOM 986 CB CYS A 74 10.848 16.493 -0.348 1.00 1.13 C ATOM 987 SG CYS A 74 10.495 16.675 1.430 1.00 1.32 S ATOM 0 H CYS A 74 13.056 17.072 0.642 1.00 0.98 H new ATOM 0 HA CYS A 74 11.937 14.634 -0.452 1.00 0.99 H new ATOM 0 HB2 CYS A 74 10.941 17.481 -0.799 1.00 1.13 H new ATOM 0 HB3 CYS A 74 10.005 16.000 -0.833 1.00 1.13 H new ATOM 992 N SER A 75 12.245 14.742 -2.807 1.00 1.14 N ATOM 993 CA SER A 75 12.511 14.636 -4.237 1.00 1.36 C ATOM 994 C SER A 75 11.227 15.028 -4.967 1.00 1.28 C ATOM 995 O SER A 75 10.245 15.371 -4.309 1.00 1.10 O ATOM 996 CB SER A 75 12.936 13.200 -4.582 1.00 1.46 C ATOM 997 OG SER A 75 12.005 12.257 -4.080 1.00 1.99 O ATOM 0 H SER A 75 11.806 13.909 -2.415 1.00 1.14 H new ATOM 0 HA SER A 75 13.324 15.296 -4.540 1.00 1.36 H new ATOM 0 HB2 SER A 75 13.020 13.092 -5.663 1.00 1.46 H new ATOM 0 HB3 SER A 75 13.923 12.999 -4.164 1.00 1.46 H new ATOM 0 HG SER A 75 11.805 11.593 -4.773 1.00 1.99 H new ATOM 1003 N PRO A 76 11.170 15.005 -6.310 1.00 1.46 N ATOM 1004 CA PRO A 76 9.942 15.386 -7.012 1.00 1.42 C ATOM 1005 C PRO A 76 8.839 14.335 -6.856 1.00 1.18 C ATOM 1006 O PRO A 76 8.005 14.157 -7.745 1.00 1.22 O ATOM 1007 CB PRO A 76 10.389 15.505 -8.472 1.00 1.74 C ATOM 1008 CG PRO A 76 11.564 14.597 -8.584 1.00 1.86 C ATOM 1009 CD PRO A 76 12.254 14.634 -7.244 1.00 1.77 C ATOM 0 HA PRO A 76 9.508 16.305 -6.618 1.00 1.42 H new ATOM 0 HB2 PRO A 76 9.593 15.208 -9.155 1.00 1.74 H new ATOM 0 HB3 PRO A 76 10.657 16.532 -8.721 1.00 1.74 H new ATOM 0 HG2 PRO A 76 11.250 13.583 -8.832 1.00 1.86 H new ATOM 0 HG3 PRO A 76 12.236 14.926 -9.377 1.00 1.86 H new ATOM 0 HD2 PRO A 76 12.690 13.668 -6.990 1.00 1.77 H new ATOM 0 HD3 PRO A 76 13.064 15.363 -7.229 1.00 1.77 H new ATOM 1017 N ASP A 77 8.846 13.644 -5.705 1.00 0.99 N ATOM 1018 CA ASP A 77 7.853 12.616 -5.400 1.00 0.91 C ATOM 1019 C ASP A 77 7.510 12.583 -3.892 1.00 0.82 C ATOM 1020 O ASP A 77 6.333 12.518 -3.531 1.00 0.90 O ATOM 1021 CB ASP A 77 8.354 11.248 -5.859 1.00 1.16 C ATOM 1022 CG ASP A 77 9.709 10.914 -5.275 1.00 1.92 C ATOM 1023 OD1 ASP A 77 9.755 10.417 -4.131 1.00 2.50 O ATOM 1024 OD2 ASP A 77 10.727 11.158 -5.959 1.00 2.65 O ATOM 0 H ASP A 77 9.537 13.785 -4.968 1.00 0.99 H new ATOM 0 HA ASP A 77 6.940 12.864 -5.941 1.00 0.91 H new ATOM 0 HB2 ASP A 77 7.635 10.482 -5.567 1.00 1.16 H new ATOM 0 HB3 ASP A 77 8.414 11.231 -6.947 1.00 1.16 H new ATOM 1029 N GLY A 78 8.531 12.619 -3.011 1.00 0.88 N ATOM 1030 CA GLY A 78 8.265 12.582 -1.563 1.00 0.87 C ATOM 1031 C GLY A 78 9.409 13.081 -0.676 1.00 0.86 C ATOM 1032 O GLY A 78 10.206 13.914 -1.095 1.00 0.99 O ATOM 0 H GLY A 78 9.517 12.672 -3.268 1.00 0.88 H new ATOM 0 HA2 GLY A 78 7.379 13.183 -1.357 1.00 0.87 H new ATOM 0 HA3 GLY A 78 8.028 11.557 -1.280 1.00 0.87 H new ATOM 1036 N CYS A 79 9.480 12.544 0.566 1.00 0.79 N ATOM 1037 CA CYS A 79 10.524 12.922 1.535 1.00 0.80 C ATOM 1038 C CYS A 79 11.220 11.664 2.108 1.00 0.78 C ATOM 1039 O CYS A 79 10.637 10.613 2.323 1.00 0.89 O ATOM 1040 CB CYS A 79 9.968 13.872 2.589 1.00 0.94 C ATOM 1041 SG CYS A 79 9.069 15.281 1.843 1.00 1.34 S ATOM 0 H CYS A 79 8.823 11.847 0.916 1.00 0.79 H new ATOM 0 HA CYS A 79 11.308 13.483 1.027 1.00 0.80 H new ATOM 0 HB2 CYS A 79 9.297 13.325 3.251 1.00 0.94 H new ATOM 0 HB3 CYS A 79 10.785 14.249 3.204 1.00 0.94 H new ATOM 1046 N HIS A 80 12.557 11.782 2.117 1.00 0.71 N ATOM 1047 CA HIS A 80 13.411 10.642 2.405 1.00 0.76 C ATOM 1048 C HIS A 80 14.668 11.034 3.150 1.00 0.70 C ATOM 1049 O HIS A 80 15.334 12.017 2.818 1.00 0.67 O ATOM 1050 CB HIS A 80 13.761 9.921 1.114 1.00 0.87 C ATOM 1051 CG HIS A 80 14.491 10.783 0.140 1.00 0.99 C ATOM 1052 ND1 HIS A 80 15.861 10.898 0.128 1.00 1.64 N ATOM 1053 CD2 HIS A 80 14.038 11.571 -0.864 1.00 1.76 C ATOM 1054 CE1 HIS A 80 16.224 11.718 -0.840 1.00 2.09 C ATOM 1055 NE2 HIS A 80 15.136 12.141 -1.457 1.00 2.17 N ATOM 0 H HIS A 80 13.057 12.651 1.929 1.00 0.71 H new ATOM 0 HA HIS A 80 12.853 9.972 3.059 1.00 0.76 H new ATOM 0 HB2 HIS A 80 14.372 9.049 1.347 1.00 0.87 H new ATOM 0 HB3 HIS A 80 12.845 9.554 0.650 1.00 0.87 H new ATOM 0 HD2 HIS A 80 13.006 11.722 -1.145 1.00 1.76 H new ATOM 0 HE1 HIS A 80 17.238 11.996 -1.086 1.00 2.09 H new ATOM 0 HE2 HIS A 80 15.115 12.787 -2.246 1.00 2.17 H new ATOM 1064 N GLU A 81 14.966 10.236 4.171 1.00 0.75 N ATOM 1065 CA GLU A 81 16.120 10.446 5.016 1.00 0.77 C ATOM 1066 C GLU A 81 17.380 10.591 4.190 1.00 0.72 C ATOM 1067 O GLU A 81 17.719 9.726 3.381 1.00 0.92 O ATOM 1068 CB GLU A 81 16.260 9.291 6.005 1.00 0.94 C ATOM 1069 CG GLU A 81 15.329 9.414 7.199 1.00 1.70 C ATOM 1070 CD GLU A 81 15.607 8.379 8.270 1.00 2.35 C ATOM 1071 OE1 GLU A 81 15.407 7.176 7.999 1.00 3.05 O ATOM 1072 OE2 GLU A 81 16.024 8.771 9.380 1.00 2.71 O ATOM 0 H GLU A 81 14.406 9.424 4.430 1.00 0.75 H new ATOM 0 HA GLU A 81 15.975 11.373 5.571 1.00 0.77 H new ATOM 0 HB2 GLU A 81 16.058 8.352 5.489 1.00 0.94 H new ATOM 0 HB3 GLU A 81 17.290 9.245 6.358 1.00 0.94 H new ATOM 0 HG2 GLU A 81 15.427 10.411 7.629 1.00 1.70 H new ATOM 0 HG3 GLU A 81 14.298 9.313 6.861 1.00 1.70 H new ATOM 1079 N ASP A 82 18.056 11.702 4.395 1.00 0.76 N ATOM 1080 CA ASP A 82 19.276 11.997 3.682 1.00 0.77 C ATOM 1081 C ASP A 82 20.223 12.795 4.601 1.00 0.96 C ATOM 1082 O ASP A 82 19.829 13.800 5.190 1.00 1.21 O ATOM 1083 CB ASP A 82 18.925 12.732 2.377 1.00 0.86 C ATOM 1084 CG ASP A 82 20.085 13.535 1.821 1.00 1.34 C ATOM 1085 OD1 ASP A 82 20.630 14.376 2.558 1.00 1.82 O ATOM 1086 OD2 ASP A 82 20.459 13.305 0.653 1.00 2.02 O ATOM 0 H ASP A 82 17.774 12.423 5.059 1.00 0.76 H new ATOM 0 HA ASP A 82 19.805 11.086 3.404 1.00 0.77 H new ATOM 0 HB2 ASP A 82 18.603 12.005 1.632 1.00 0.86 H new ATOM 0 HB3 ASP A 82 18.082 13.399 2.557 1.00 0.86 H new ATOM 1091 N PRO A 83 21.471 12.310 4.773 1.00 1.15 N ATOM 1092 CA PRO A 83 22.482 12.920 5.669 1.00 1.42 C ATOM 1093 C PRO A 83 22.790 14.404 5.432 1.00 1.28 C ATOM 1094 O PRO A 83 23.464 15.032 6.246 1.00 1.40 O ATOM 1095 CB PRO A 83 23.740 12.097 5.362 1.00 1.81 C ATOM 1096 CG PRO A 83 23.229 10.779 4.921 1.00 1.93 C ATOM 1097 CD PRO A 83 21.986 11.075 4.141 1.00 1.42 C ATOM 0 HA PRO A 83 22.119 12.899 6.697 1.00 1.42 H new ATOM 0 HB2 PRO A 83 24.342 12.569 4.585 1.00 1.81 H new ATOM 0 HB3 PRO A 83 24.375 12.001 6.243 1.00 1.81 H new ATOM 0 HG2 PRO A 83 23.964 10.258 4.307 1.00 1.93 H new ATOM 0 HG3 PRO A 83 23.014 10.136 5.774 1.00 1.93 H new ATOM 0 HD2 PRO A 83 22.202 11.225 3.083 1.00 1.42 H new ATOM 0 HD3 PRO A 83 21.266 10.259 4.207 1.00 1.42 H new ATOM 1105 N ALA A 84 22.363 14.956 4.312 1.00 1.13 N ATOM 1106 CA ALA A 84 22.675 16.351 4.006 1.00 1.17 C ATOM 1107 C ALA A 84 21.934 17.383 4.857 1.00 1.20 C ATOM 1108 O ALA A 84 22.452 18.478 5.074 1.00 1.53 O ATOM 1109 CB ALA A 84 22.433 16.649 2.539 1.00 1.21 C ATOM 0 H ALA A 84 21.807 14.474 3.605 1.00 1.13 H new ATOM 0 HA ALA A 84 23.731 16.453 4.254 1.00 1.17 H new ATOM 0 HB1 ALA A 84 22.672 17.693 2.336 1.00 1.21 H new ATOM 0 HB2 ALA A 84 23.066 16.006 1.928 1.00 1.21 H new ATOM 0 HB3 ALA A 84 21.386 16.463 2.298 1.00 1.21 H new ATOM 1115 N CYS A 85 20.708 17.091 5.280 1.00 1.02 N ATOM 1116 CA CYS A 85 19.941 18.090 6.024 1.00 1.19 C ATOM 1117 C CYS A 85 20.101 18.037 7.540 1.00 1.46 C ATOM 1118 O CYS A 85 19.550 18.884 8.233 1.00 1.88 O ATOM 1119 CB CYS A 85 18.459 18.030 5.625 1.00 1.15 C ATOM 1120 SG CYS A 85 17.883 19.518 4.772 1.00 1.42 S ATOM 0 H CYS A 85 20.234 16.201 5.128 1.00 1.02 H new ATOM 0 HA CYS A 85 20.367 19.051 5.738 1.00 1.19 H new ATOM 0 HB2 CYS A 85 18.299 17.166 4.980 1.00 1.15 H new ATOM 0 HB3 CYS A 85 17.856 17.877 6.520 1.00 1.15 H new ATOM 1125 N ASP A 86 20.827 17.072 8.073 1.00 1.53 N ATOM 1126 CA ASP A 86 20.968 16.990 9.525 1.00 1.90 C ATOM 1127 C ASP A 86 22.407 17.154 9.999 1.00 1.82 C ATOM 1128 O ASP A 86 23.106 16.164 10.207 1.00 2.29 O ATOM 1129 CB ASP A 86 20.402 15.667 10.034 1.00 2.43 C ATOM 1130 CG ASP A 86 19.788 15.800 11.414 1.00 3.07 C ATOM 1131 OD1 ASP A 86 20.527 16.140 12.362 1.00 3.60 O ATOM 1132 OD2 ASP A 86 18.569 15.566 11.546 1.00 3.47 O ATOM 0 H ASP A 86 21.318 16.350 7.545 1.00 1.53 H new ATOM 0 HA ASP A 86 20.402 17.824 9.939 1.00 1.90 H new ATOM 0 HB2 ASP A 86 19.648 15.304 9.336 1.00 2.43 H new ATOM 0 HB3 ASP A 86 21.196 14.921 10.062 1.00 2.43 H new ATOM 1363 N CYS B 110 -4.182 1.910 16.776 1.00 2.52 N ATOM 1364 CA CYS B 110 -3.246 2.520 15.870 1.00 1.89 C ATOM 1365 C CYS B 110 -2.362 3.544 16.572 1.00 1.69 C ATOM 1366 O CYS B 110 -2.834 4.643 16.859 1.00 1.94 O ATOM 1367 CB CYS B 110 -3.957 3.042 14.637 1.00 2.23 C ATOM 1368 SG CYS B 110 -3.626 2.012 13.164 1.00 2.61 S ATOM 0 HA CYS B 110 -2.552 1.759 15.514 1.00 1.89 H new ATOM 0 HB2 CYS B 110 -5.030 3.072 14.824 1.00 2.23 H new ATOM 0 HB3 CYS B 110 -3.638 4.066 14.442 1.00 2.23 H new ATOM 0 HG CYS B 110 -4.260 2.502 12.140 1.00 2.61 H new ATOM 1373 N LEU B 111 -1.098 3.214 16.861 1.00 1.46 N ATOM 1374 CA LEU B 111 -0.210 4.171 17.545 1.00 1.37 C ATOM 1375 C LEU B 111 -0.589 5.604 17.173 1.00 1.20 C ATOM 1376 O LEU B 111 -0.385 6.017 16.039 1.00 1.18 O ATOM 1377 CB LEU B 111 1.247 3.926 17.144 1.00 1.54 C ATOM 1378 CG LEU B 111 2.014 2.960 18.037 1.00 1.90 C ATOM 1379 CD1 LEU B 111 2.096 3.507 19.451 1.00 2.47 C ATOM 1380 CD2 LEU B 111 1.356 1.591 18.023 1.00 2.26 C ATOM 0 H LEU B 111 -0.671 2.314 16.640 1.00 1.46 H new ATOM 0 HA LEU B 111 -0.322 4.029 18.620 1.00 1.37 H new ATOM 0 HB2 LEU B 111 1.266 3.545 16.123 1.00 1.54 H new ATOM 0 HB3 LEU B 111 1.770 4.882 17.137 1.00 1.54 H new ATOM 0 HG LEU B 111 3.028 2.853 17.652 1.00 1.90 H new ATOM 0 HD11 LEU B 111 2.647 2.808 20.080 1.00 2.47 H new ATOM 0 HD12 LEU B 111 2.610 4.468 19.440 1.00 2.47 H new ATOM 0 HD13 LEU B 111 1.090 3.639 19.849 1.00 2.47 H new ATOM 0 HD21 LEU B 111 1.916 0.912 18.666 1.00 2.26 H new ATOM 0 HD22 LEU B 111 0.332 1.676 18.388 1.00 2.26 H new ATOM 0 HD23 LEU B 111 1.347 1.202 17.005 1.00 2.26 H new ATOM 1392 N PRO B 112 -1.182 6.373 18.107 1.00 1.19 N ATOM 1393 CA PRO B 112 -1.631 7.735 17.843 1.00 1.12 C ATOM 1394 C PRO B 112 -0.703 8.839 18.351 1.00 1.03 C ATOM 1395 O PRO B 112 -0.528 8.998 19.558 1.00 1.06 O ATOM 1396 CB PRO B 112 -2.928 7.767 18.631 1.00 1.30 C ATOM 1397 CG PRO B 112 -2.660 6.920 19.839 1.00 1.47 C ATOM 1398 CD PRO B 112 -1.544 5.962 19.472 1.00 1.37 C ATOM 0 HA PRO B 112 -1.694 7.933 16.773 1.00 1.12 H new ATOM 0 HB2 PRO B 112 -3.195 8.785 18.913 1.00 1.30 H new ATOM 0 HB3 PRO B 112 -3.757 7.370 18.045 1.00 1.30 H new ATOM 0 HG2 PRO B 112 -2.372 7.540 20.688 1.00 1.47 H new ATOM 0 HG3 PRO B 112 -3.556 6.373 20.133 1.00 1.47 H new ATOM 0 HD2 PRO B 112 -0.699 6.048 20.155 1.00 1.37 H new ATOM 0 HD3 PRO B 112 -1.877 4.925 19.505 1.00 1.37 H new ATOM 1406 N CYS B 113 -0.078 9.572 17.429 1.00 0.94 N ATOM 1407 CA CYS B 113 0.857 10.632 17.790 1.00 0.90 C ATOM 1408 C CYS B 113 0.516 11.940 17.047 1.00 0.91 C ATOM 1409 O CYS B 113 -0.636 12.151 16.671 1.00 1.00 O ATOM 1410 CB CYS B 113 2.294 10.123 17.559 1.00 0.83 C ATOM 1411 SG CYS B 113 3.283 10.891 16.228 1.00 0.87 S ATOM 0 H CYS B 113 -0.205 9.449 16.424 1.00 0.94 H new ATOM 0 HA CYS B 113 0.773 10.883 18.847 1.00 0.90 H new ATOM 0 HB2 CYS B 113 2.843 10.243 18.493 1.00 0.83 H new ATOM 0 HB3 CYS B 113 2.239 9.053 17.357 1.00 0.83 H new ATOM 1416 N GLY B 114 1.481 12.838 16.877 1.00 0.92 N ATOM 1417 CA GLY B 114 1.198 14.110 16.233 1.00 0.99 C ATOM 1418 C GLY B 114 0.568 15.082 17.196 1.00 1.11 C ATOM 1419 O GLY B 114 0.778 14.941 18.401 1.00 1.16 O ATOM 0 H GLY B 114 2.449 12.710 17.171 1.00 0.92 H new ATOM 0 HA2 GLY B 114 2.121 14.533 15.837 1.00 0.99 H new ATOM 0 HA3 GLY B 114 0.532 13.951 15.385 1.00 0.99 H new ATOM 1423 N PRO B 115 -0.150 16.131 16.749 1.00 1.19 N ATOM 1424 CA PRO B 115 -0.674 17.094 17.708 1.00 1.33 C ATOM 1425 C PRO B 115 -1.706 16.562 18.670 1.00 1.40 C ATOM 1426 O PRO B 115 -2.920 16.655 18.474 1.00 1.57 O ATOM 1427 CB PRO B 115 -1.348 18.105 16.797 1.00 1.46 C ATOM 1428 CG PRO B 115 -1.756 17.219 15.703 1.00 1.39 C ATOM 1429 CD PRO B 115 -0.495 16.496 15.385 1.00 1.21 C ATOM 0 HA PRO B 115 0.126 17.456 18.354 1.00 1.33 H new ATOM 0 HB2 PRO B 115 -2.195 18.598 17.274 1.00 1.46 H new ATOM 0 HB3 PRO B 115 -0.667 18.890 16.467 1.00 1.46 H new ATOM 0 HG2 PRO B 115 -2.549 16.536 16.008 1.00 1.39 H new ATOM 0 HG3 PRO B 115 -2.130 17.779 14.846 1.00 1.39 H new ATOM 0 HD2 PRO B 115 -0.646 15.634 14.735 1.00 1.21 H new ATOM 0 HD3 PRO B 115 0.254 17.128 14.907 1.00 1.21 H new ATOM 1437 N GLY B 116 -1.168 15.970 19.670 1.00 1.35 N ATOM 1438 CA GLY B 116 -1.943 15.358 20.683 1.00 1.48 C ATOM 1439 C GLY B 116 -2.298 13.937 20.433 1.00 1.44 C ATOM 1440 O GLY B 116 -2.894 13.312 21.318 1.00 1.70 O ATOM 0 H GLY B 116 -0.160 15.896 19.810 1.00 1.35 H new ATOM 0 HA2 GLY B 116 -1.397 15.420 21.624 1.00 1.48 H new ATOM 0 HA3 GLY B 116 -2.863 15.929 20.810 1.00 1.48 H new ATOM 1444 N GLY B 117 -1.884 13.321 19.332 1.00 1.29 N ATOM 1445 CA GLY B 117 -2.157 11.925 19.199 1.00 1.26 C ATOM 1446 C GLY B 117 -3.422 11.531 18.473 1.00 1.26 C ATOM 1447 O GLY B 117 -4.030 10.514 18.786 1.00 1.38 O ATOM 0 H GLY B 117 -1.381 13.756 18.558 1.00 1.29 H new ATOM 0 HA2 GLY B 117 -1.315 11.465 18.683 1.00 1.26 H new ATOM 0 HA3 GLY B 117 -2.193 11.492 20.199 1.00 1.26 H new ATOM 1451 N LYS B 118 -3.806 12.341 17.470 1.00 1.19 N ATOM 1452 CA LYS B 118 -4.985 12.073 16.639 1.00 1.25 C ATOM 1453 C LYS B 118 -4.643 11.309 15.344 1.00 1.15 C ATOM 1454 O LYS B 118 -5.539 10.773 14.688 1.00 1.25 O ATOM 1455 CB LYS B 118 -5.707 13.373 16.293 1.00 1.30 C ATOM 1456 CG LYS B 118 -5.532 14.458 17.340 1.00 1.36 C ATOM 1457 CD LYS B 118 -6.864 14.915 17.906 1.00 1.78 C ATOM 1458 CE LYS B 118 -6.883 16.417 18.107 1.00 1.95 C ATOM 1459 NZ LYS B 118 -6.858 17.145 16.809 1.00 2.54 N ATOM 0 H LYS B 118 -3.308 13.194 17.217 1.00 1.19 H new ATOM 0 HA LYS B 118 -5.640 11.434 17.232 1.00 1.25 H new ATOM 0 HB2 LYS B 118 -5.339 13.740 15.335 1.00 1.30 H new ATOM 0 HB3 LYS B 118 -6.770 13.167 16.168 1.00 1.30 H new ATOM 0 HG2 LYS B 118 -4.902 14.085 18.148 1.00 1.36 H new ATOM 0 HG3 LYS B 118 -5.013 15.309 16.898 1.00 1.36 H new ATOM 0 HD2 LYS B 118 -7.669 14.625 17.231 1.00 1.78 H new ATOM 0 HD3 LYS B 118 -7.050 14.415 18.857 1.00 1.78 H new ATOM 0 HE2 LYS B 118 -7.776 16.698 18.665 1.00 1.95 H new ATOM 0 HE3 LYS B 118 -6.024 16.715 18.708 1.00 1.95 H new ATOM 0 HZ1 LYS B 118 -7.284 18.086 16.930 1.00 2.54 H new ATOM 0 HZ2 LYS B 118 -5.874 17.249 16.488 1.00 2.54 H new ATOM 0 HZ3 LYS B 118 -7.398 16.609 16.100 1.00 2.54 H new ATOM 1473 N GLY B 119 -3.349 11.238 14.983 1.00 1.04 N ATOM 1474 CA GLY B 119 -2.927 10.514 13.777 1.00 0.97 C ATOM 1475 C GLY B 119 -2.142 9.298 14.188 1.00 0.93 C ATOM 1476 O GLY B 119 -2.061 9.058 15.389 1.00 1.02 O ATOM 0 H GLY B 119 -2.586 11.669 15.505 1.00 1.04 H new ATOM 0 HA2 GLY B 119 -3.797 10.220 13.190 1.00 0.97 H new ATOM 0 HA3 GLY B 119 -2.318 11.159 13.144 1.00 0.97 H new ATOM 1480 N ARG B 120 -1.532 8.492 13.294 1.00 0.87 N ATOM 1481 CA ARG B 120 -0.800 7.315 13.724 1.00 0.87 C ATOM 1482 C ARG B 120 0.648 7.372 13.215 1.00 0.80 C ATOM 1483 O ARG B 120 1.016 8.295 12.487 1.00 0.79 O ATOM 1484 CB ARG B 120 -1.478 6.078 13.149 1.00 0.95 C ATOM 1485 CG ARG B 120 -2.902 5.907 13.622 1.00 1.16 C ATOM 1486 CD ARG B 120 -3.920 6.227 12.538 1.00 1.60 C ATOM 1487 NE ARG B 120 -3.586 5.617 11.254 1.00 1.82 N ATOM 1488 CZ ARG B 120 -4.235 5.884 10.122 1.00 2.25 C ATOM 1489 NH1 ARG B 120 -5.260 6.728 10.123 1.00 2.62 N ATOM 1490 NH2 ARG B 120 -3.863 5.304 8.989 1.00 2.89 N ATOM 0 H ARG B 120 -1.539 8.644 12.285 1.00 0.87 H new ATOM 0 HA ARG B 120 -0.793 7.276 14.813 1.00 0.87 H new ATOM 0 HB2 ARG B 120 -1.468 6.139 12.061 1.00 0.95 H new ATOM 0 HB3 ARG B 120 -0.902 5.195 13.424 1.00 0.95 H new ATOM 0 HG2 ARG B 120 -3.048 4.881 13.961 1.00 1.16 H new ATOM 0 HG3 ARG B 120 -3.076 6.555 14.481 1.00 1.16 H new ATOM 0 HD2 ARG B 120 -4.904 5.881 12.855 1.00 1.60 H new ATOM 0 HD3 ARG B 120 -3.987 7.308 12.416 1.00 1.60 H new ATOM 0 HE ARG B 120 -2.814 4.951 11.222 1.00 1.82 H new ATOM 0 HH11 ARG B 120 -5.552 7.174 10.992 1.00 2.62 H new ATOM 0 HH12 ARG B 120 -5.755 6.930 9.254 1.00 2.62 H new ATOM 0 HH21 ARG B 120 -3.079 4.652 8.983 1.00 2.89 H new ATOM 0 HH22 ARG B 120 -4.361 5.510 8.123 1.00 2.89 H new ATOM 1504 N CYS B 121 1.474 6.399 13.613 1.00 0.82 N ATOM 1505 CA CYS B 121 2.882 6.376 13.196 1.00 0.81 C ATOM 1506 C CYS B 121 3.158 5.285 12.153 1.00 0.85 C ATOM 1507 O CYS B 121 2.428 4.299 12.054 1.00 1.05 O ATOM 1508 CB CYS B 121 3.786 6.131 14.408 1.00 0.91 C ATOM 1509 SG CYS B 121 4.177 7.624 15.371 1.00 1.07 S ATOM 0 H CYS B 121 1.197 5.625 14.217 1.00 0.82 H new ATOM 0 HA CYS B 121 3.096 7.346 12.747 1.00 0.81 H new ATOM 0 HB2 CYS B 121 3.304 5.406 15.064 1.00 0.91 H new ATOM 0 HB3 CYS B 121 4.718 5.681 14.065 1.00 0.91 H new ATOM 1514 N PHE B 122 4.231 5.489 11.374 1.00 0.76 N ATOM 1515 CA PHE B 122 4.644 4.543 10.326 1.00 0.84 C ATOM 1516 C PHE B 122 6.171 4.459 10.227 1.00 0.95 C ATOM 1517 O PHE B 122 6.706 3.978 9.228 1.00 1.44 O ATOM 1518 CB PHE B 122 4.089 4.970 8.961 1.00 0.86 C ATOM 1519 CG PHE B 122 2.606 5.172 8.943 1.00 0.86 C ATOM 1520 CD1 PHE B 122 2.058 6.394 9.296 1.00 1.41 C ATOM 1521 CD2 PHE B 122 1.758 4.138 8.581 1.00 1.42 C ATOM 1522 CE1 PHE B 122 0.690 6.581 9.286 1.00 1.53 C ATOM 1523 CE2 PHE B 122 0.388 4.319 8.571 1.00 1.50 C ATOM 1524 CZ PHE B 122 -0.148 5.542 8.925 1.00 1.15 C ATOM 0 H PHE B 122 4.833 6.309 11.452 1.00 0.76 H new ATOM 0 HA PHE B 122 4.245 3.566 10.599 1.00 0.84 H new ATOM 0 HB2 PHE B 122 4.575 5.897 8.656 1.00 0.86 H new ATOM 0 HB3 PHE B 122 4.351 4.214 8.221 1.00 0.86 H new ATOM 0 HD1 PHE B 122 2.707 7.209 9.582 1.00 1.41 H new ATOM 0 HD2 PHE B 122 2.172 3.180 8.304 1.00 1.42 H new ATOM 0 HE1 PHE B 122 0.274 7.539 9.560 1.00 1.53 H new ATOM 0 HE2 PHE B 122 -0.263 3.505 8.287 1.00 1.50 H new ATOM 0 HZ PHE B 122 -1.218 5.686 8.920 1.00 1.15 H new ATOM 1534 N GLY B 123 6.868 4.925 11.260 1.00 0.84 N ATOM 1535 CA GLY B 123 8.322 4.891 11.255 1.00 0.89 C ATOM 1536 C GLY B 123 8.920 5.831 12.287 1.00 0.89 C ATOM 1537 O GLY B 123 8.365 5.984 13.371 1.00 0.90 O ATOM 0 H GLY B 123 6.453 5.326 12.101 1.00 0.84 H new ATOM 0 HA2 GLY B 123 8.661 3.874 11.452 1.00 0.89 H new ATOM 0 HA3 GLY B 123 8.687 5.162 10.264 1.00 0.89 H new ATOM 1541 N PRO B 124 10.063 6.474 11.983 1.00 1.02 N ATOM 1542 CA PRO B 124 10.724 7.394 12.899 1.00 1.08 C ATOM 1543 C PRO B 124 10.245 8.836 12.731 1.00 0.96 C ATOM 1544 O PRO B 124 9.509 9.353 13.569 1.00 1.02 O ATOM 1545 CB PRO B 124 12.204 7.267 12.515 1.00 1.33 C ATOM 1546 CG PRO B 124 12.240 6.581 11.175 1.00 1.51 C ATOM 1547 CD PRO B 124 10.814 6.355 10.735 1.00 1.26 C ATOM 0 HA PRO B 124 10.516 7.153 13.941 1.00 1.08 H new ATOM 0 HB2 PRO B 124 12.677 8.248 12.462 1.00 1.33 H new ATOM 0 HB3 PRO B 124 12.750 6.690 13.261 1.00 1.33 H new ATOM 0 HG2 PRO B 124 12.772 7.193 10.447 1.00 1.51 H new ATOM 0 HG3 PRO B 124 12.773 5.633 11.245 1.00 1.51 H new ATOM 0 HD2 PRO B 124 10.496 7.095 10.000 1.00 1.26 H new ATOM 0 HD3 PRO B 124 10.683 5.375 10.277 1.00 1.26 H new ATOM 1555 N SER B 125 10.658 9.483 11.641 1.00 0.97 N ATOM 1556 CA SER B 125 10.252 10.864 11.370 1.00 0.92 C ATOM 1557 C SER B 125 8.985 10.881 10.533 1.00 0.76 C ATOM 1558 O SER B 125 8.823 11.733 9.664 1.00 0.78 O ATOM 1559 CB SER B 125 11.372 11.627 10.630 1.00 1.12 C ATOM 1560 OG SER B 125 12.119 12.433 11.527 1.00 1.25 O ATOM 0 H SER B 125 11.270 9.076 10.934 1.00 0.97 H new ATOM 0 HA SER B 125 10.062 11.357 12.323 1.00 0.92 H new ATOM 0 HB2 SER B 125 12.035 10.917 10.136 1.00 1.12 H new ATOM 0 HB3 SER B 125 10.937 12.252 9.850 1.00 1.12 H new ATOM 0 HG SER B 125 12.823 12.904 11.034 1.00 1.25 H new ATOM 1566 N ILE B 126 8.094 9.920 10.769 1.00 0.70 N ATOM 1567 CA ILE B 126 6.879 9.842 9.983 1.00 0.60 C ATOM 1568 C ILE B 126 5.627 9.493 10.801 1.00 0.57 C ATOM 1569 O ILE B 126 5.333 8.321 11.040 1.00 0.74 O ATOM 1570 CB ILE B 126 7.071 8.820 8.839 1.00 0.60 C ATOM 1571 CG1 ILE B 126 7.949 9.422 7.744 1.00 0.79 C ATOM 1572 CG2 ILE B 126 5.740 8.367 8.265 1.00 0.72 C ATOM 1573 CD1 ILE B 126 8.727 8.391 6.954 1.00 0.85 C ATOM 0 H ILE B 126 8.193 9.200 11.485 1.00 0.70 H new ATOM 0 HA ILE B 126 6.703 10.840 9.582 1.00 0.60 H new ATOM 0 HB ILE B 126 7.566 7.941 9.251 1.00 0.60 H new ATOM 0 HG12 ILE B 126 7.321 9.993 7.060 1.00 0.79 H new ATOM 0 HG13 ILE B 126 8.649 10.124 8.197 1.00 0.79 H new ATOM 0 HG21 ILE B 126 5.915 7.649 7.463 1.00 0.72 H new ATOM 0 HG22 ILE B 126 5.146 7.898 9.049 1.00 0.72 H new ATOM 0 HG23 ILE B 126 5.202 9.229 7.870 1.00 0.72 H new ATOM 0 HD11 ILE B 126 9.328 8.892 6.195 1.00 0.85 H new ATOM 0 HD12 ILE B 126 9.381 7.835 7.626 1.00 0.85 H new ATOM 0 HD13 ILE B 126 8.033 7.702 6.472 1.00 0.85 H new ATOM 1585 N CYS B 127 4.860 10.524 11.161 1.00 0.54 N ATOM 1586 CA CYS B 127 3.594 10.346 11.875 1.00 0.53 C ATOM 1587 C CYS B 127 2.494 10.934 11.010 1.00 0.53 C ATOM 1588 O CYS B 127 2.427 12.141 10.782 1.00 0.56 O ATOM 1589 CB CYS B 127 3.614 11.011 13.248 1.00 0.56 C ATOM 1590 SG CYS B 127 2.471 10.281 14.471 1.00 0.89 S ATOM 0 H CYS B 127 5.096 11.497 10.968 1.00 0.54 H new ATOM 0 HA CYS B 127 3.422 9.284 12.052 1.00 0.53 H new ATOM 0 HB2 CYS B 127 4.628 10.962 13.645 1.00 0.56 H new ATOM 0 HB3 CYS B 127 3.370 12.066 13.128 1.00 0.56 H new ATOM 1595 N CYS B 128 1.691 10.050 10.473 1.00 0.53 N ATOM 1596 CA CYS B 128 0.653 10.399 9.556 1.00 0.56 C ATOM 1597 C CYS B 128 -0.708 9.781 9.849 1.00 0.60 C ATOM 1598 O CYS B 128 -0.818 8.708 10.434 1.00 0.76 O ATOM 1599 CB CYS B 128 1.093 9.859 8.192 1.00 0.63 C ATOM 1600 SG CYS B 128 2.871 10.042 7.860 1.00 1.23 S ATOM 0 H CYS B 128 1.747 9.051 10.669 1.00 0.53 H new ATOM 0 HA CYS B 128 0.523 11.480 9.617 1.00 0.56 H new ATOM 0 HB2 CYS B 128 0.829 8.803 8.129 1.00 0.63 H new ATOM 0 HB3 CYS B 128 0.534 10.375 7.411 1.00 0.63 H new ATOM 1605 N GLY B 129 -1.768 10.529 9.498 1.00 0.60 N ATOM 1606 CA GLY B 129 -3.104 10.064 9.699 1.00 0.65 C ATOM 1607 C GLY B 129 -3.885 10.150 8.392 1.00 0.66 C ATOM 1608 O GLY B 129 -3.319 10.383 7.317 1.00 0.64 O ATOM 0 H GLY B 129 -1.700 11.455 9.075 1.00 0.60 H new ATOM 0 HA2 GLY B 129 -3.090 9.035 10.058 1.00 0.65 H new ATOM 0 HA3 GLY B 129 -3.595 10.662 10.466 1.00 0.65 H new ATOM 1612 N ASP B 130 -5.179 9.984 8.500 1.00 0.72 N ATOM 1613 CA ASP B 130 -6.078 10.012 7.376 1.00 0.76 C ATOM 1614 C ASP B 130 -6.200 11.376 6.786 1.00 0.77 C ATOM 1615 O ASP B 130 -6.001 11.538 5.574 1.00 0.81 O ATOM 1616 CB ASP B 130 -7.447 9.439 7.731 1.00 0.84 C ATOM 1617 CG ASP B 130 -8.086 10.144 8.906 1.00 1.47 C ATOM 1618 OD1 ASP B 130 -7.378 10.395 9.904 1.00 1.96 O ATOM 1619 OD2 ASP B 130 -9.295 10.438 8.832 1.00 2.35 O ATOM 0 H ASP B 130 -5.646 9.822 9.392 1.00 0.72 H new ATOM 0 HA ASP B 130 -5.640 9.369 6.612 1.00 0.76 H new ATOM 0 HB2 ASP B 130 -8.104 9.516 6.865 1.00 0.84 H new ATOM 0 HB3 ASP B 130 -7.344 8.378 7.961 1.00 0.84 H new ATOM 1624 N GLU B 131 -6.532 12.378 7.586 1.00 0.79 N ATOM 1625 CA GLU B 131 -6.637 13.693 6.999 1.00 0.85 C ATOM 1626 C GLU B 131 -5.646 14.616 7.667 1.00 0.89 C ATOM 1627 O GLU B 131 -5.848 15.821 7.820 1.00 1.03 O ATOM 1628 CB GLU B 131 -8.055 14.198 7.287 1.00 0.93 C ATOM 1629 CG GLU B 131 -8.747 13.458 8.432 1.00 1.02 C ATOM 1630 CD GLU B 131 -10.110 14.024 8.789 1.00 1.16 C ATOM 1631 OE1 GLU B 131 -11.012 13.990 7.927 1.00 1.69 O ATOM 1632 OE2 GLU B 131 -10.277 14.491 9.937 1.00 1.63 O ATOM 0 H GLU B 131 -6.723 12.311 8.586 1.00 0.79 H new ATOM 0 HA GLU B 131 -6.434 13.662 5.928 1.00 0.85 H new ATOM 0 HB2 GLU B 131 -8.012 15.261 7.526 1.00 0.93 H new ATOM 0 HB3 GLU B 131 -8.658 14.098 6.384 1.00 0.93 H new ATOM 0 HG2 GLU B 131 -8.859 12.409 8.159 1.00 1.02 H new ATOM 0 HG3 GLU B 131 -8.107 13.492 9.314 1.00 1.02 H new ATOM 1639 N LEU B 132 -4.601 13.964 8.121 1.00 0.83 N ATOM 1640 CA LEU B 132 -3.549 14.562 8.872 1.00 0.89 C ATOM 1641 C LEU B 132 -2.322 14.293 8.066 1.00 0.83 C ATOM 1642 O LEU B 132 -1.269 14.898 8.255 1.00 0.91 O ATOM 1643 CB LEU B 132 -3.484 13.850 10.224 1.00 0.93 C ATOM 1644 CG LEU B 132 -3.637 14.713 11.486 1.00 1.16 C ATOM 1645 CD1 LEU B 132 -3.556 13.842 12.731 1.00 1.25 C ATOM 1646 CD2 LEU B 132 -2.585 15.809 11.558 1.00 1.38 C ATOM 0 H LEU B 132 -4.466 12.965 7.965 1.00 0.83 H new ATOM 0 HA LEU B 132 -3.675 15.629 9.056 1.00 0.89 H new ATOM 0 HB2 LEU B 132 -4.263 13.088 10.241 1.00 0.93 H new ATOM 0 HB3 LEU B 132 -2.528 13.330 10.285 1.00 0.93 H new ATOM 0 HG LEU B 132 -4.615 15.192 11.435 1.00 1.16 H new ATOM 0 HD11 LEU B 132 -3.666 14.465 13.619 1.00 1.25 H new ATOM 0 HD12 LEU B 132 -4.354 13.099 12.708 1.00 1.25 H new ATOM 0 HD13 LEU B 132 -2.591 13.337 12.759 1.00 1.25 H new ATOM 0 HD21 LEU B 132 -2.731 16.394 12.466 1.00 1.38 H new ATOM 0 HD22 LEU B 132 -1.592 15.360 11.572 1.00 1.38 H new ATOM 0 HD23 LEU B 132 -2.677 16.459 10.688 1.00 1.38 H new ATOM 1658 N GLY B 133 -2.525 13.403 7.098 1.00 0.72 N ATOM 1659 CA GLY B 133 -1.517 13.065 6.176 1.00 0.70 C ATOM 1660 C GLY B 133 -0.208 12.742 6.821 1.00 0.66 C ATOM 1661 O GLY B 133 -0.183 11.996 7.778 1.00 0.65 O ATOM 0 H GLY B 133 -3.407 12.910 6.955 1.00 0.72 H new ATOM 0 HA2 GLY B 133 -1.845 12.208 5.588 1.00 0.70 H new ATOM 0 HA3 GLY B 133 -1.377 13.893 5.482 1.00 0.70 H new ATOM 1665 N CYS B 134 0.880 13.249 6.276 1.00 0.69 N ATOM 1666 CA CYS B 134 2.182 12.927 6.792 1.00 0.68 C ATOM 1667 C CYS B 134 2.963 14.122 7.303 1.00 0.64 C ATOM 1668 O CYS B 134 3.346 14.985 6.524 1.00 0.62 O ATOM 1669 CB CYS B 134 2.942 12.216 5.713 1.00 0.72 C ATOM 1670 SG CYS B 134 2.964 10.407 5.870 1.00 1.08 S ATOM 0 H CYS B 134 0.882 13.884 5.478 1.00 0.69 H new ATOM 0 HA CYS B 134 2.045 12.292 7.667 1.00 0.68 H new ATOM 0 HB2 CYS B 134 2.508 12.479 4.748 1.00 0.72 H new ATOM 0 HB3 CYS B 134 3.969 12.580 5.710 1.00 0.72 H new ATOM 1675 N PHE B 135 3.412 14.032 8.552 1.00 0.67 N ATOM 1676 CA PHE B 135 4.341 14.999 9.052 1.00 0.66 C ATOM 1677 C PHE B 135 5.597 14.204 8.960 1.00 0.64 C ATOM 1678 O PHE B 135 5.794 13.274 9.741 1.00 0.64 O ATOM 1679 CB PHE B 135 4.047 15.398 10.503 1.00 0.70 C ATOM 1680 CG PHE B 135 2.696 16.007 10.668 1.00 0.72 C ATOM 1681 CD1 PHE B 135 1.573 15.231 10.486 1.00 0.96 C ATOM 1682 CD2 PHE B 135 2.543 17.354 10.969 1.00 1.15 C ATOM 1683 CE1 PHE B 135 0.314 15.773 10.599 1.00 1.19 C ATOM 1684 CE2 PHE B 135 1.280 17.905 11.090 1.00 1.36 C ATOM 1685 CZ PHE B 135 0.164 17.112 10.902 1.00 1.23 C ATOM 0 H PHE B 135 3.143 13.305 9.215 1.00 0.67 H new ATOM 0 HA PHE B 135 4.339 15.949 8.517 1.00 0.66 H new ATOM 0 HB2 PHE B 135 4.125 14.518 11.141 1.00 0.70 H new ATOM 0 HB3 PHE B 135 4.804 16.105 10.842 1.00 0.70 H new ATOM 0 HD1 PHE B 135 1.682 14.182 10.251 1.00 0.96 H new ATOM 0 HD2 PHE B 135 3.415 17.975 11.109 1.00 1.15 H new ATOM 0 HE1 PHE B 135 -0.557 15.152 10.451 1.00 1.19 H new ATOM 0 HE2 PHE B 135 1.166 18.952 11.331 1.00 1.36 H new ATOM 0 HZ PHE B 135 -0.824 17.539 10.992 1.00 1.23 H new ATOM 1695 N VAL B 136 6.413 14.488 7.981 1.00 0.66 N ATOM 1696 CA VAL B 136 7.588 13.698 7.808 1.00 0.68 C ATOM 1697 C VAL B 136 8.798 14.447 8.313 1.00 0.71 C ATOM 1698 O VAL B 136 9.466 15.196 7.592 1.00 0.74 O ATOM 1699 CB VAL B 136 7.764 13.175 6.350 1.00 0.73 C ATOM 1700 CG1 VAL B 136 8.701 11.970 6.346 1.00 0.75 C ATOM 1701 CG2 VAL B 136 6.406 12.790 5.715 1.00 0.74 C ATOM 0 H VAL B 136 6.286 15.244 7.308 1.00 0.66 H new ATOM 0 HA VAL B 136 7.474 12.798 8.412 1.00 0.68 H new ATOM 0 HB VAL B 136 8.195 13.979 5.753 1.00 0.73 H new ATOM 0 HG11 VAL B 136 8.822 11.607 5.326 1.00 0.75 H new ATOM 0 HG12 VAL B 136 9.672 12.263 6.744 1.00 0.75 H new ATOM 0 HG13 VAL B 136 8.279 11.179 6.965 1.00 0.75 H new ATOM 0 HG21 VAL B 136 6.568 12.430 4.699 1.00 0.74 H new ATOM 0 HG22 VAL B 136 5.937 12.005 6.308 1.00 0.74 H new ATOM 0 HG23 VAL B 136 5.755 13.664 5.690 1.00 0.74 H new ATOM 1711 N GLY B 137 9.054 14.241 9.595 1.00 0.72 N ATOM 1712 CA GLY B 137 10.202 14.880 10.230 1.00 0.76 C ATOM 1713 C GLY B 137 9.878 15.814 11.383 1.00 0.73 C ATOM 1714 O GLY B 137 10.533 15.758 12.424 1.00 0.83 O ATOM 0 H GLY B 137 8.496 13.648 10.209 1.00 0.72 H new ATOM 0 HA2 GLY B 137 10.873 14.102 10.594 1.00 0.76 H new ATOM 0 HA3 GLY B 137 10.747 15.443 9.472 1.00 0.76 H new ATOM 1718 N THR B 138 8.913 16.702 11.196 1.00 0.69 N ATOM 1719 CA THR B 138 8.553 17.665 12.237 1.00 0.70 C ATOM 1720 C THR B 138 8.314 16.993 13.591 1.00 0.73 C ATOM 1721 O THR B 138 8.461 15.783 13.739 1.00 0.77 O ATOM 1722 CB THR B 138 7.301 18.439 11.822 1.00 0.73 C ATOM 1723 OG1 THR B 138 6.839 19.270 12.872 1.00 0.78 O ATOM 1724 CG2 THR B 138 6.163 17.539 11.420 1.00 0.77 C ATOM 0 H THR B 138 8.365 16.779 10.339 1.00 0.69 H new ATOM 0 HA THR B 138 9.395 18.348 12.350 1.00 0.70 H new ATOM 0 HB THR B 138 7.605 19.036 10.962 1.00 0.73 H new ATOM 0 HG1 THR B 138 7.460 20.018 12.995 1.00 0.78 H new ATOM 0 HG21 THR B 138 5.303 18.145 11.136 1.00 0.77 H new ATOM 0 HG22 THR B 138 6.468 16.923 10.574 1.00 0.77 H new ATOM 0 HG23 THR B 138 5.893 16.897 12.258 1.00 0.77 H new ATOM 1732 N ALA B 139 7.993 17.821 14.578 1.00 0.79 N ATOM 1733 CA ALA B 139 7.758 17.347 15.944 1.00 0.88 C ATOM 1734 C ALA B 139 6.634 16.309 15.981 1.00 0.83 C ATOM 1735 O ALA B 139 6.651 15.387 16.796 1.00 0.87 O ATOM 1736 CB ALA B 139 7.456 18.508 16.873 1.00 1.04 C ATOM 0 H ALA B 139 7.888 18.829 14.461 1.00 0.79 H new ATOM 0 HA ALA B 139 8.670 16.863 16.293 1.00 0.88 H new ATOM 0 HB1 ALA B 139 7.285 18.132 17.882 1.00 1.04 H new ATOM 0 HB2 ALA B 139 8.301 19.197 16.881 1.00 1.04 H new ATOM 0 HB3 ALA B 139 6.565 19.030 16.525 1.00 1.04 H new ATOM 1742 N GLU B 140 5.620 16.499 15.146 1.00 0.79 N ATOM 1743 CA GLU B 140 4.471 15.595 15.113 1.00 0.79 C ATOM 1744 C GLU B 140 4.901 14.136 14.920 1.00 0.73 C ATOM 1745 O GLU B 140 4.208 13.222 15.344 1.00 0.79 O ATOM 1746 CB GLU B 140 3.526 16.013 13.988 1.00 0.83 C ATOM 1747 CG GLU B 140 2.550 17.104 14.389 1.00 1.27 C ATOM 1748 CD GLU B 140 3.127 18.498 14.235 1.00 1.55 C ATOM 1749 OE1 GLU B 140 3.022 19.064 13.127 1.00 1.90 O ATOM 1750 OE2 GLU B 140 3.679 19.025 15.224 1.00 2.31 O ATOM 0 H GLU B 140 5.567 17.271 14.481 1.00 0.79 H new ATOM 0 HA GLU B 140 3.959 15.663 16.073 1.00 0.79 H new ATOM 0 HB2 GLU B 140 4.116 16.359 13.139 1.00 0.83 H new ATOM 0 HB3 GLU B 140 2.965 15.141 13.653 1.00 0.83 H new ATOM 0 HG2 GLU B 140 1.649 17.020 13.781 1.00 1.27 H new ATOM 0 HG3 GLU B 140 2.250 16.953 15.426 1.00 1.27 H new ATOM 1757 N ALA B 141 6.043 13.944 14.269 1.00 0.69 N ATOM 1758 CA ALA B 141 6.570 12.615 14.004 1.00 0.70 C ATOM 1759 C ALA B 141 7.436 12.163 15.161 1.00 0.77 C ATOM 1760 O ALA B 141 7.531 10.976 15.447 1.00 0.87 O ATOM 1761 CB ALA B 141 7.325 12.582 12.688 1.00 0.75 C ATOM 0 H ALA B 141 6.625 14.702 13.913 1.00 0.69 H new ATOM 0 HA ALA B 141 5.738 11.917 13.911 1.00 0.70 H new ATOM 0 HB1 ALA B 141 7.709 11.577 12.514 1.00 0.75 H new ATOM 0 HB2 ALA B 141 6.653 12.860 11.876 1.00 0.75 H new ATOM 0 HB3 ALA B 141 8.156 13.286 12.728 1.00 0.75 H new ATOM 1767 N LEU B 142 8.122 13.112 15.778 1.00 0.80 N ATOM 1768 CA LEU B 142 9.016 12.808 16.890 1.00 0.93 C ATOM 1769 C LEU B 142 8.401 11.800 17.848 1.00 1.06 C ATOM 1770 O LEU B 142 9.079 10.881 18.304 1.00 1.24 O ATOM 1771 CB LEU B 142 9.391 14.085 17.638 1.00 0.97 C ATOM 1772 CG LEU B 142 10.675 14.756 17.165 1.00 1.01 C ATOM 1773 CD1 LEU B 142 10.704 16.211 17.601 1.00 1.11 C ATOM 1774 CD2 LEU B 142 11.885 14.008 17.700 1.00 1.14 C ATOM 0 H LEU B 142 8.079 14.100 15.529 1.00 0.80 H new ATOM 0 HA LEU B 142 9.918 12.362 16.472 1.00 0.93 H new ATOM 0 HB2 LEU B 142 8.571 14.797 17.544 1.00 0.97 H new ATOM 0 HB3 LEU B 142 9.490 13.851 18.698 1.00 0.97 H new ATOM 0 HG LEU B 142 10.706 14.727 16.076 1.00 1.01 H new ATOM 0 HD11 LEU B 142 11.627 16.676 17.255 1.00 1.11 H new ATOM 0 HD12 LEU B 142 9.851 16.736 17.172 1.00 1.11 H new ATOM 0 HD13 LEU B 142 10.655 16.266 18.689 1.00 1.11 H new ATOM 0 HD21 LEU B 142 12.796 14.497 17.355 1.00 1.14 H new ATOM 0 HD22 LEU B 142 11.862 14.010 18.790 1.00 1.14 H new ATOM 0 HD23 LEU B 142 11.866 12.980 17.339 1.00 1.14 H new ATOM 1786 N ARG B 143 7.111 11.948 18.131 1.00 1.06 N ATOM 1787 CA ARG B 143 6.420 11.001 19.011 1.00 1.26 C ATOM 1788 C ARG B 143 6.653 9.578 18.506 1.00 1.27 C ATOM 1789 O ARG B 143 6.510 8.612 19.242 1.00 1.49 O ATOM 1790 CB ARG B 143 4.924 11.306 19.045 1.00 1.35 C ATOM 1791 CG ARG B 143 4.380 11.637 20.424 1.00 1.36 C ATOM 1792 CD ARG B 143 3.949 10.385 21.175 1.00 1.50 C ATOM 1793 NE ARG B 143 2.494 10.227 21.169 1.00 1.90 N ATOM 1794 CZ ARG B 143 1.755 10.008 22.257 1.00 2.20 C ATOM 1795 NH1 ARG B 143 2.322 9.903 23.454 1.00 2.36 N ATOM 1796 NH2 ARG B 143 0.438 9.893 22.148 1.00 2.93 N ATOM 0 H ARG B 143 6.526 12.702 17.772 1.00 1.06 H new ATOM 0 HA ARG B 143 6.816 11.096 20.022 1.00 1.26 H new ATOM 0 HB2 ARG B 143 4.722 12.144 18.378 1.00 1.35 H new ATOM 0 HB3 ARG B 143 4.382 10.446 18.651 1.00 1.35 H new ATOM 0 HG2 ARG B 143 5.142 12.162 20.999 1.00 1.36 H new ATOM 0 HG3 ARG B 143 3.531 12.314 20.327 1.00 1.36 H new ATOM 0 HD2 ARG B 143 4.412 9.510 20.720 1.00 1.50 H new ATOM 0 HD3 ARG B 143 4.306 10.436 22.204 1.00 1.50 H new ATOM 0 HE ARG B 143 2.013 10.289 20.272 1.00 1.90 H new ATOM 0 HH11 ARG B 143 3.334 9.990 23.548 1.00 2.36 H new ATOM 0 HH12 ARG B 143 1.745 9.735 24.279 1.00 2.36 H new ATOM 0 HH21 ARG B 143 -0.007 9.972 21.234 1.00 2.93 H new ATOM 0 HH22 ARG B 143 -0.130 9.725 22.979 1.00 2.93 H new ATOM 1810 N CYS B 144 6.899 9.494 17.212 1.00 1.10 N ATOM 1811 CA CYS B 144 7.057 8.174 16.583 1.00 1.17 C ATOM 1812 C CYS B 144 8.248 7.418 17.197 1.00 1.44 C ATOM 1813 O CYS B 144 8.399 6.212 16.997 1.00 1.61 O ATOM 1814 CB CYS B 144 7.163 8.245 15.072 1.00 1.05 C ATOM 1815 SG CYS B 144 5.574 8.576 14.239 1.00 1.26 S ATOM 0 H CYS B 144 6.993 10.291 16.583 1.00 1.10 H new ATOM 0 HA CYS B 144 6.146 7.614 16.793 1.00 1.17 H new ATOM 0 HB2 CYS B 144 7.874 9.027 14.803 1.00 1.05 H new ATOM 0 HB3 CYS B 144 7.568 7.304 14.701 1.00 1.05 H new ATOM 1820 N GLN B 145 9.124 8.136 17.898 1.00 1.58 N ATOM 1821 CA GLN B 145 10.304 7.526 18.511 1.00 1.89 C ATOM 1822 C GLN B 145 9.936 6.321 19.383 1.00 2.14 C ATOM 1823 O GLN B 145 10.771 5.443 19.632 1.00 2.40 O ATOM 1824 CB GLN B 145 11.052 8.557 19.358 1.00 2.00 C ATOM 1825 CG GLN B 145 12.419 8.081 19.824 1.00 2.43 C ATOM 1826 CD GLN B 145 13.384 7.867 18.675 1.00 2.77 C ATOM 1827 OE1 GLN B 145 13.657 8.784 17.900 1.00 3.35 O ATOM 1828 NE2 GLN B 145 13.904 6.651 18.557 1.00 3.05 N ATOM 0 H GLN B 145 9.040 9.140 18.056 1.00 1.58 H new ATOM 0 HA GLN B 145 10.945 7.176 17.702 1.00 1.89 H new ATOM 0 HB2 GLN B 145 11.173 9.473 18.779 1.00 2.00 H new ATOM 0 HB3 GLN B 145 10.447 8.808 20.229 1.00 2.00 H new ATOM 0 HG2 GLN B 145 12.838 8.813 20.515 1.00 2.43 H new ATOM 0 HG3 GLN B 145 12.306 7.149 20.377 1.00 2.43 H new ATOM 0 HE21 GLN B 145 13.650 5.921 19.222 1.00 3.05 H new ATOM 0 HE22 GLN B 145 14.558 6.447 17.801 1.00 3.05 H new ATOM 1837 N GLU B 146 8.691 6.257 19.843 1.00 2.12 N ATOM 1838 CA GLU B 146 8.292 5.137 20.692 1.00 2.41 C ATOM 1839 C GLU B 146 7.852 3.945 19.851 1.00 2.40 C ATOM 1840 O GLU B 146 7.488 2.892 20.383 1.00 2.57 O ATOM 1841 CB GLU B 146 7.155 5.550 21.629 1.00 2.47 C ATOM 1842 CG GLU B 146 7.566 6.573 22.675 1.00 2.88 C ATOM 1843 CD GLU B 146 6.378 7.142 23.424 1.00 3.26 C ATOM 1844 OE1 GLU B 146 5.486 7.722 22.769 1.00 3.59 O ATOM 1845 OE2 GLU B 146 6.338 7.007 24.665 1.00 3.76 O ATOM 0 H GLU B 146 7.960 6.943 19.652 1.00 2.12 H new ATOM 0 HA GLU B 146 9.158 4.847 21.286 1.00 2.41 H new ATOM 0 HB2 GLU B 146 6.337 5.959 21.035 1.00 2.47 H new ATOM 0 HB3 GLU B 146 6.771 4.663 22.133 1.00 2.47 H new ATOM 0 HG2 GLU B 146 8.251 6.108 23.384 1.00 2.88 H new ATOM 0 HG3 GLU B 146 8.110 7.384 22.192 1.00 2.88 H new ATOM 1852 N GLU B 147 7.959 4.088 18.537 1.00 2.27 N ATOM 1853 CA GLU B 147 7.621 3.008 17.634 1.00 2.36 C ATOM 1854 C GLU B 147 8.803 2.050 17.513 1.00 2.40 C ATOM 1855 O GLU B 147 8.756 1.082 16.755 1.00 2.48 O ATOM 1856 CB GLU B 147 7.250 3.568 16.261 1.00 2.40 C ATOM 1857 CG GLU B 147 6.065 2.871 15.618 1.00 2.97 C ATOM 1858 CD GLU B 147 6.285 2.604 14.142 1.00 3.47 C ATOM 1859 OE1 GLU B 147 7.089 1.707 13.815 1.00 3.71 O ATOM 1860 OE2 GLU B 147 5.656 3.296 13.315 1.00 4.01 O ATOM 0 H GLU B 147 8.277 4.942 18.078 1.00 2.27 H new ATOM 0 HA GLU B 147 6.763 2.465 18.031 1.00 2.36 H new ATOM 0 HB2 GLU B 147 7.026 4.630 16.360 1.00 2.40 H new ATOM 0 HB3 GLU B 147 8.112 3.485 15.599 1.00 2.40 H new ATOM 0 HG2 GLU B 147 5.879 1.928 16.132 1.00 2.97 H new ATOM 0 HG3 GLU B 147 5.173 3.484 15.745 1.00 2.97 H new ATOM 1987 N SER B 156 -5.359 -3.691 10.236 1.00 2.21 N ATOM 1988 CA SER B 156 -5.035 -3.573 8.830 1.00 2.03 C ATOM 1989 C SER B 156 -5.720 -2.333 8.273 1.00 1.77 C ATOM 1990 O SER B 156 -6.822 -1.987 8.696 1.00 2.17 O ATOM 1991 CB SER B 156 -5.495 -4.825 8.079 1.00 2.58 C ATOM 1992 OG SER B 156 -4.884 -4.921 6.803 1.00 3.11 O ATOM 0 HA SER B 156 -3.956 -3.479 8.703 1.00 2.03 H new ATOM 0 HB2 SER B 156 -5.254 -5.711 8.666 1.00 2.58 H new ATOM 0 HB3 SER B 156 -6.579 -4.804 7.964 1.00 2.58 H new ATOM 0 HG SER B 156 -5.197 -5.732 6.350 1.00 3.11 H new ATOM 1998 N GLY B 157 -5.082 -1.673 7.323 1.00 1.55 N ATOM 1999 CA GLY B 157 -5.674 -0.485 6.747 1.00 1.82 C ATOM 2000 C GLY B 157 -4.778 0.190 5.742 1.00 1.65 C ATOM 2001 O GLY B 157 -4.859 -0.100 4.544 1.00 2.07 O ATOM 0 H GLY B 157 -4.173 -1.934 6.942 1.00 1.55 H new ATOM 0 HA2 GLY B 157 -6.615 -0.751 6.266 1.00 1.82 H new ATOM 0 HA3 GLY B 157 -5.912 0.219 7.544 1.00 1.82 H new ATOM 2005 N GLN B 158 -3.906 1.084 6.209 1.00 1.33 N ATOM 2006 CA GLN B 158 -3.021 1.752 5.325 1.00 1.42 C ATOM 2007 C GLN B 158 -1.594 1.466 5.736 1.00 1.04 C ATOM 2008 O GLN B 158 -0.874 2.324 6.231 1.00 0.95 O ATOM 2009 CB GLN B 158 -3.321 3.247 5.417 1.00 1.93 C ATOM 2010 CG GLN B 158 -4.764 3.582 5.084 1.00 2.76 C ATOM 2011 CD GLN B 158 -4.913 4.940 4.433 1.00 3.57 C ATOM 2012 OE1 GLN B 158 -4.692 5.973 5.065 1.00 3.89 O ATOM 2013 NE2 GLN B 158 -5.293 4.944 3.161 1.00 4.34 N ATOM 0 H GLN B 158 -3.813 1.344 7.191 1.00 1.33 H new ATOM 0 HA GLN B 158 -3.153 1.410 4.299 1.00 1.42 H new ATOM 0 HB2 GLN B 158 -3.096 3.596 6.425 1.00 1.93 H new ATOM 0 HB3 GLN B 158 -2.662 3.787 4.737 1.00 1.93 H new ATOM 0 HG2 GLN B 158 -5.166 2.818 4.418 1.00 2.76 H new ATOM 0 HG3 GLN B 158 -5.359 3.554 5.997 1.00 2.76 H new ATOM 0 HE21 GLN B 158 -5.465 4.063 2.677 1.00 4.34 H new ATOM 0 HE22 GLN B 158 -5.413 5.828 2.667 1.00 4.34 H new ATOM 2022 N LYS B 159 -1.200 0.238 5.499 1.00 1.15 N ATOM 2023 CA LYS B 159 0.157 -0.206 5.709 1.00 1.13 C ATOM 2024 C LYS B 159 0.871 -0.414 4.372 1.00 0.95 C ATOM 2025 O LYS B 159 1.927 0.095 4.091 1.00 0.91 O ATOM 2026 CB LYS B 159 0.288 -1.410 6.614 1.00 1.54 C ATOM 2027 CG LYS B 159 -1.010 -2.063 7.017 1.00 1.91 C ATOM 2028 CD LYS B 159 -0.731 -3.438 7.592 1.00 2.18 C ATOM 2029 CE LYS B 159 -1.617 -3.733 8.784 1.00 2.81 C ATOM 2030 NZ LYS B 159 -0.919 -4.546 9.816 1.00 3.54 N ATOM 0 H LYS B 159 -1.822 -0.491 5.150 1.00 1.15 H new ATOM 0 HA LYS B 159 0.655 0.598 6.251 1.00 1.13 H new ATOM 0 HB2 LYS B 159 0.908 -2.153 6.113 1.00 1.54 H new ATOM 0 HB3 LYS B 159 0.818 -1.108 7.517 1.00 1.54 H new ATOM 0 HG2 LYS B 159 -1.525 -1.447 7.754 1.00 1.91 H new ATOM 0 HG3 LYS B 159 -1.670 -2.146 6.154 1.00 1.91 H new ATOM 0 HD2 LYS B 159 -0.891 -4.194 6.823 1.00 2.18 H new ATOM 0 HD3 LYS B 159 0.315 -3.503 7.890 1.00 2.18 H new ATOM 0 HE2 LYS B 159 -1.951 -2.795 9.228 1.00 2.81 H new ATOM 0 HE3 LYS B 159 -2.509 -4.262 8.449 1.00 2.81 H new ATOM 0 HZ1 LYS B 159 -1.564 -4.723 10.613 1.00 3.54 H new ATOM 0 HZ2 LYS B 159 -0.623 -5.453 9.402 1.00 3.54 H new ATOM 0 HZ3 LYS B 159 -0.082 -4.031 10.156 1.00 3.54 H new ATOM 2044 N PRO B 160 0.307 -1.287 3.555 1.00 1.05 N ATOM 2045 CA PRO B 160 0.892 -1.652 2.289 1.00 1.14 C ATOM 2046 C PRO B 160 0.554 -0.726 1.146 1.00 1.10 C ATOM 2047 O PRO B 160 -0.561 -0.713 0.624 1.00 1.23 O ATOM 2048 CB PRO B 160 0.302 -3.034 2.040 1.00 1.46 C ATOM 2049 CG PRO B 160 -1.071 -2.905 2.615 1.00 1.51 C ATOM 2050 CD PRO B 160 -0.896 -2.045 3.841 1.00 1.27 C ATOM 0 HA PRO B 160 1.980 -1.609 2.335 1.00 1.14 H new ATOM 0 HB2 PRO B 160 0.276 -3.280 0.978 1.00 1.46 H new ATOM 0 HB3 PRO B 160 0.878 -3.817 2.534 1.00 1.46 H new ATOM 0 HG2 PRO B 160 -1.756 -2.444 1.903 1.00 1.51 H new ATOM 0 HG3 PRO B 160 -1.486 -3.880 2.872 1.00 1.51 H new ATOM 0 HD2 PRO B 160 -1.754 -1.391 3.998 1.00 1.27 H new ATOM 0 HD3 PRO B 160 -0.785 -2.648 4.742 1.00 1.27 H new ATOM 2058 N CYS B 161 1.563 0.021 0.763 1.00 1.09 N ATOM 2059 CA CYS B 161 1.488 0.959 -0.327 1.00 1.15 C ATOM 2060 C CYS B 161 2.823 0.960 -1.061 1.00 1.37 C ATOM 2061 O CYS B 161 3.741 0.244 -0.664 1.00 1.58 O ATOM 2062 CB CYS B 161 1.164 2.349 0.195 1.00 1.32 C ATOM 2063 SG CYS B 161 0.316 3.405 -1.015 1.00 1.58 S ATOM 0 H CYS B 161 2.478 -0.009 1.212 1.00 1.09 H new ATOM 0 HA CYS B 161 0.694 0.666 -1.014 1.00 1.15 H new ATOM 0 HB2 CYS B 161 0.540 2.257 1.084 1.00 1.32 H new ATOM 0 HB3 CYS B 161 2.089 2.836 0.504 1.00 1.32 H new ATOM 2068 N GLY B 162 2.954 1.807 -2.079 1.00 1.57 N ATOM 2069 CA GLY B 162 4.219 1.935 -2.794 1.00 1.88 C ATOM 2070 C GLY B 162 4.993 0.636 -2.938 1.00 2.05 C ATOM 2071 O GLY B 162 4.460 -0.454 -2.710 1.00 2.37 O ATOM 0 H GLY B 162 2.207 2.409 -2.424 1.00 1.57 H new ATOM 0 HA2 GLY B 162 4.022 2.338 -3.787 1.00 1.88 H new ATOM 0 HA3 GLY B 162 4.844 2.661 -2.274 1.00 1.88 H new ATOM 2075 N SER B 163 6.265 0.759 -3.332 1.00 2.40 N ATOM 2076 CA SER B 163 7.108 -0.405 -3.509 1.00 2.93 C ATOM 2077 C SER B 163 7.691 -0.882 -2.164 1.00 2.71 C ATOM 2078 O SER B 163 8.901 -1.103 -2.049 1.00 3.29 O ATOM 2079 CB SER B 163 8.230 -0.077 -4.499 1.00 3.81 C ATOM 2080 OG SER B 163 8.471 -1.154 -5.392 1.00 4.07 O ATOM 0 H SER B 163 6.721 1.650 -3.530 1.00 2.40 H new ATOM 0 HA SER B 163 6.502 -1.218 -3.909 1.00 2.93 H new ATOM 0 HB2 SER B 163 7.966 0.815 -5.067 1.00 3.81 H new ATOM 0 HB3 SER B 163 9.144 0.153 -3.951 1.00 3.81 H new ATOM 0 HG SER B 163 9.191 -0.911 -6.011 1.00 4.07 H new ATOM 2086 N GLY B 164 6.813 -1.067 -1.176 1.00 2.12 N ATOM 2087 CA GLY B 164 7.215 -1.556 0.142 1.00 2.11 C ATOM 2088 C GLY B 164 6.912 -0.600 1.296 1.00 1.92 C ATOM 2089 O GLY B 164 7.264 -0.881 2.443 1.00 2.20 O ATOM 0 H GLY B 164 5.814 -0.884 -1.266 1.00 2.12 H new ATOM 0 HA2 GLY B 164 6.712 -2.504 0.332 1.00 2.11 H new ATOM 0 HA3 GLY B 164 8.286 -1.760 0.128 1.00 2.11 H new ATOM 2093 N GLY B 165 6.259 0.510 0.990 1.00 1.61 N ATOM 2094 CA GLY B 165 5.924 1.471 2.030 1.00 1.60 C ATOM 2095 C GLY B 165 4.469 1.399 2.448 1.00 1.42 C ATOM 2096 O GLY B 165 3.635 0.909 1.695 1.00 1.62 O ATOM 0 H GLY B 165 5.955 0.765 0.050 1.00 1.61 H new ATOM 0 HA2 GLY B 165 6.557 1.294 2.900 1.00 1.60 H new ATOM 0 HA3 GLY B 165 6.146 2.477 1.674 1.00 1.60 H new ATOM 2100 N ARG B 166 4.157 1.879 3.658 1.00 1.16 N ATOM 2101 CA ARG B 166 2.776 1.837 4.135 1.00 1.03 C ATOM 2102 C ARG B 166 2.016 3.043 3.737 1.00 0.95 C ATOM 2103 O ARG B 166 2.582 4.126 3.564 1.00 1.04 O ATOM 2104 CB ARG B 166 2.593 1.640 5.638 1.00 1.08 C ATOM 2105 CG ARG B 166 3.858 1.557 6.429 1.00 1.23 C ATOM 2106 CD ARG B 166 4.811 0.510 5.894 1.00 1.39 C ATOM 2107 NE ARG B 166 4.686 -0.747 6.613 1.00 1.79 N ATOM 2108 CZ ARG B 166 5.692 -1.589 6.801 1.00 2.31 C ATOM 2109 NH1 ARG B 166 6.907 -1.294 6.355 1.00 2.54 N ATOM 2110 NH2 ARG B 166 5.483 -2.729 7.442 1.00 3.05 N ATOM 0 H ARG B 166 4.826 2.291 4.308 1.00 1.16 H new ATOM 0 HA ARG B 166 2.386 0.943 3.648 1.00 1.03 H new ATOM 0 HB2 ARG B 166 1.995 2.464 6.026 1.00 1.08 H new ATOM 0 HB3 ARG B 166 2.021 0.727 5.801 1.00 1.08 H new ATOM 0 HG2 ARG B 166 4.351 2.529 6.422 1.00 1.23 H new ATOM 0 HG3 ARG B 166 3.619 1.328 7.467 1.00 1.23 H new ATOM 0 HD2 ARG B 166 4.613 0.345 4.835 1.00 1.39 H new ATOM 0 HD3 ARG B 166 5.835 0.875 5.974 1.00 1.39 H new ATOM 0 HE ARG B 166 3.773 -0.995 6.994 1.00 1.79 H new ATOM 0 HH11 ARG B 166 7.071 -0.415 5.864 1.00 2.54 H new ATOM 0 HH12 ARG B 166 7.677 -1.946 6.503 1.00 2.54 H new ATOM 0 HH21 ARG B 166 4.551 -2.956 7.789 1.00 3.05 H new ATOM 0 HH22 ARG B 166 6.254 -3.380 7.589 1.00 3.05 H new ATOM 2124 N CYS B 167 0.713 2.868 3.609 1.00 0.87 N ATOM 2125 CA CYS B 167 -0.093 3.932 3.280 1.00 0.88 C ATOM 2126 C CYS B 167 -0.201 4.803 4.499 1.00 0.88 C ATOM 2127 O CYS B 167 -0.875 4.431 5.455 1.00 0.93 O ATOM 2128 CB CYS B 167 -1.455 3.443 2.808 1.00 0.94 C ATOM 2129 SG CYS B 167 -1.946 4.048 1.179 1.00 1.56 S ATOM 0 H CYS B 167 0.229 1.979 3.737 1.00 0.87 H new ATOM 0 HA CYS B 167 0.330 4.506 2.455 1.00 0.88 H new ATOM 0 HB2 CYS B 167 -1.449 2.353 2.790 1.00 0.94 H new ATOM 0 HB3 CYS B 167 -2.208 3.746 3.536 1.00 0.94 H new ATOM 2134 N ALA B 168 0.409 5.950 4.503 1.00 0.90 N ATOM 2135 CA ALA B 168 0.269 6.772 5.666 1.00 0.95 C ATOM 2136 C ALA B 168 -1.016 7.524 5.520 1.00 0.96 C ATOM 2137 O ALA B 168 -1.834 7.625 6.431 1.00 1.04 O ATOM 2138 CB ALA B 168 1.432 7.734 5.805 1.00 0.96 C ATOM 0 H ALA B 168 0.985 6.326 3.750 1.00 0.90 H new ATOM 0 HA ALA B 168 0.262 6.154 6.564 1.00 0.95 H new ATOM 0 HB1 ALA B 168 1.295 8.344 6.698 1.00 0.96 H new ATOM 0 HB2 ALA B 168 2.362 7.171 5.889 1.00 0.96 H new ATOM 0 HB3 ALA B 168 1.477 8.380 4.928 1.00 0.96 H new ATOM 2144 N ALA B 169 -1.127 8.101 4.356 1.00 0.90 N ATOM 2145 CA ALA B 169 -2.253 8.963 4.021 1.00 0.94 C ATOM 2146 C ALA B 169 -2.389 9.124 2.508 1.00 0.91 C ATOM 2147 O ALA B 169 -1.456 8.847 1.756 1.00 0.87 O ATOM 2148 CB ALA B 169 -2.044 10.328 4.646 1.00 0.98 C ATOM 0 H ALA B 169 -0.445 7.994 3.605 1.00 0.90 H new ATOM 0 HA ALA B 169 -3.163 8.504 4.407 1.00 0.94 H new ATOM 0 HB1 ALA B 169 -2.885 10.975 4.397 1.00 0.98 H new ATOM 0 HB2 ALA B 169 -1.973 10.225 5.729 1.00 0.98 H new ATOM 0 HB3 ALA B 169 -1.123 10.767 4.262 1.00 0.98 H new ATOM 2154 N ALA B 170 -3.568 9.555 2.082 1.00 0.98 N ATOM 2155 CA ALA B 170 -3.884 9.750 0.667 1.00 1.00 C ATOM 2156 C ALA B 170 -2.700 10.193 -0.203 1.00 1.04 C ATOM 2157 O ALA B 170 -2.085 11.228 0.039 1.00 1.25 O ATOM 2158 CB ALA B 170 -5.036 10.730 0.518 1.00 1.15 C ATOM 0 H ALA B 170 -4.340 9.782 2.709 1.00 0.98 H new ATOM 0 HA ALA B 170 -4.166 8.765 0.295 1.00 1.00 H new ATOM 0 HB1 ALA B 170 -5.262 10.867 -0.539 1.00 1.15 H new ATOM 0 HB2 ALA B 170 -5.915 10.338 1.029 1.00 1.15 H new ATOM 0 HB3 ALA B 170 -4.758 11.688 0.957 1.00 1.15 H new ATOM 2164 N GLY B 171 -2.421 9.403 -1.248 1.00 1.15 N ATOM 2165 CA GLY B 171 -1.364 9.712 -2.188 1.00 1.28 C ATOM 2166 C GLY B 171 0.063 9.698 -1.638 1.00 1.22 C ATOM 2167 O GLY B 171 1.010 9.642 -2.415 1.00 1.29 O ATOM 0 H GLY B 171 -2.924 8.540 -1.455 1.00 1.15 H new ATOM 0 HA2 GLY B 171 -1.420 8.999 -3.011 1.00 1.28 H new ATOM 0 HA3 GLY B 171 -1.558 10.699 -2.608 1.00 1.28 H new ATOM 2171 N ILE B 172 0.238 9.796 -0.328 1.00 1.13 N ATOM 2172 CA ILE B 172 1.578 9.804 0.269 1.00 1.09 C ATOM 2173 C ILE B 172 1.801 8.542 1.103 1.00 1.02 C ATOM 2174 O ILE B 172 1.303 8.386 2.227 1.00 1.34 O ATOM 2175 CB ILE B 172 1.830 11.084 1.061 1.00 1.53 C ATOM 2176 CG1 ILE B 172 0.703 11.359 2.029 1.00 1.09 C ATOM 2177 CG2 ILE B 172 2.028 12.251 0.107 1.00 2.27 C ATOM 2178 CD1 ILE B 172 1.088 10.927 3.400 1.00 0.91 C ATOM 0 H ILE B 172 -0.525 9.871 0.345 1.00 1.13 H new ATOM 0 HA ILE B 172 2.314 9.794 -0.535 1.00 1.09 H new ATOM 0 HB ILE B 172 2.738 10.955 1.649 1.00 1.53 H new ATOM 0 HG12 ILE B 172 0.464 12.423 2.028 1.00 1.09 H new ATOM 0 HG13 ILE B 172 -0.196 10.830 1.712 1.00 1.09 H new ATOM 0 HG21 ILE B 172 2.207 13.162 0.678 1.00 2.27 H new ATOM 0 HG22 ILE B 172 2.884 12.053 -0.538 1.00 2.27 H new ATOM 0 HG23 ILE B 172 1.135 12.377 -0.505 1.00 2.27 H new ATOM 0 HD11 ILE B 172 0.268 11.130 4.089 1.00 0.91 H new ATOM 0 HD12 ILE B 172 1.304 9.859 3.398 1.00 0.91 H new ATOM 0 HD13 ILE B 172 1.974 11.476 3.719 1.00 0.91 H new ATOM 2190 N CYS B 173 2.530 7.617 0.492 1.00 0.81 N ATOM 2191 CA CYS B 173 2.836 6.331 1.088 1.00 1.04 C ATOM 2192 C CYS B 173 4.306 6.257 1.441 1.00 1.06 C ATOM 2193 O CYS B 173 5.173 6.301 0.567 1.00 1.19 O ATOM 2194 CB CYS B 173 2.453 5.215 0.134 1.00 1.17 C ATOM 2195 SG CYS B 173 0.717 5.290 -0.399 1.00 1.94 S ATOM 0 H CYS B 173 2.927 7.743 -0.439 1.00 0.81 H new ATOM 0 HA CYS B 173 2.259 6.214 2.005 1.00 1.04 H new ATOM 0 HB2 CYS B 173 3.098 5.259 -0.744 1.00 1.17 H new ATOM 0 HB3 CYS B 173 2.637 4.255 0.616 1.00 1.17 H new ATOM 2200 N CYS B 174 4.580 6.223 2.728 1.00 0.97 N ATOM 2201 CA CYS B 174 5.944 6.217 3.209 1.00 0.99 C ATOM 2202 C CYS B 174 6.578 4.829 3.228 1.00 1.16 C ATOM 2203 O CYS B 174 5.999 3.856 3.708 1.00 1.35 O ATOM 2204 CB CYS B 174 5.991 6.856 4.592 1.00 1.12 C ATOM 2205 SG CYS B 174 4.956 8.350 4.710 1.00 1.26 S ATOM 0 H CYS B 174 3.872 6.199 3.462 1.00 0.97 H new ATOM 0 HA CYS B 174 6.539 6.799 2.506 1.00 0.99 H new ATOM 0 HB2 CYS B 174 5.660 6.130 5.335 1.00 1.12 H new ATOM 0 HB3 CYS B 174 7.022 7.113 4.834 1.00 1.12 H new ATOM 2210 N SER B 175 7.802 4.790 2.716 1.00 1.15 N ATOM 2211 CA SER B 175 8.622 3.585 2.665 1.00 1.38 C ATOM 2212 C SER B 175 9.537 3.608 3.888 1.00 1.29 C ATOM 2213 O SER B 175 9.446 4.540 4.687 1.00 1.12 O ATOM 2214 CB SER B 175 9.433 3.566 1.359 1.00 1.48 C ATOM 2215 OG SER B 175 10.144 4.778 1.179 1.00 2.00 O ATOM 0 H SER B 175 8.261 5.609 2.317 1.00 1.15 H new ATOM 0 HA SER B 175 8.009 2.684 2.680 1.00 1.38 H new ATOM 0 HB2 SER B 175 10.132 2.730 1.374 1.00 1.48 H new ATOM 0 HB3 SER B 175 8.763 3.406 0.514 1.00 1.48 H new ATOM 0 HG SER B 175 11.059 4.580 0.890 1.00 2.00 H new ATOM 2221 N PRO B 176 10.427 2.622 4.095 1.00 1.49 N ATOM 2222 CA PRO B 176 11.300 2.638 5.270 1.00 1.45 C ATOM 2223 C PRO B 176 12.383 3.717 5.169 1.00 1.20 C ATOM 2224 O PRO B 176 13.484 3.558 5.696 1.00 1.25 O ATOM 2225 CB PRO B 176 11.916 1.236 5.276 1.00 1.77 C ATOM 2226 CG PRO B 176 11.882 0.802 3.851 1.00 1.90 C ATOM 2227 CD PRO B 176 10.653 1.433 3.248 1.00 1.81 C ATOM 0 HA PRO B 176 10.757 2.873 6.185 1.00 1.45 H new ATOM 0 HB2 PRO B 176 12.936 1.253 5.661 1.00 1.77 H new ATOM 0 HB3 PRO B 176 11.347 0.556 5.911 1.00 1.77 H new ATOM 0 HG2 PRO B 176 12.782 1.122 3.325 1.00 1.90 H new ATOM 0 HG3 PRO B 176 11.838 -0.285 3.776 1.00 1.90 H new ATOM 0 HD2 PRO B 176 10.813 1.707 2.205 1.00 1.81 H new ATOM 0 HD3 PRO B 176 9.800 0.755 3.272 1.00 1.81 H new ATOM 2235 N ASP B 177 12.048 4.822 4.484 1.00 1.01 N ATOM 2236 CA ASP B 177 12.965 5.947 4.308 1.00 0.92 C ATOM 2237 C ASP B 177 12.216 7.300 4.295 1.00 0.83 C ATOM 2238 O ASP B 177 12.646 8.246 4.957 1.00 0.90 O ATOM 2239 CB ASP B 177 13.769 5.773 3.021 1.00 1.18 C ATOM 2240 CG ASP B 177 12.875 5.579 1.815 1.00 1.96 C ATOM 2241 OD1 ASP B 177 12.413 6.594 1.252 1.00 2.51 O ATOM 2242 OD2 ASP B 177 12.629 4.415 1.439 1.00 2.72 O ATOM 0 H ASP B 177 11.139 4.955 4.041 1.00 1.01 H new ATOM 0 HA ASP B 177 13.646 5.957 5.159 1.00 0.92 H new ATOM 0 HB2 ASP B 177 14.400 6.648 2.867 1.00 1.18 H new ATOM 0 HB3 ASP B 177 14.433 4.915 3.122 1.00 1.18 H new ATOM 2247 N GLY B 178 11.099 7.397 3.543 1.00 0.89 N ATOM 2248 CA GLY B 178 10.345 8.663 3.491 1.00 0.87 C ATOM 2249 C GLY B 178 8.901 8.537 3.000 1.00 0.85 C ATOM 2250 O GLY B 178 8.273 7.498 3.167 1.00 0.99 O ATOM 0 H GLY B 178 10.711 6.639 2.981 1.00 0.89 H new ATOM 0 HA2 GLY B 178 10.337 9.104 4.488 1.00 0.87 H new ATOM 0 HA3 GLY B 178 10.875 9.357 2.839 1.00 0.87 H new ATOM 2254 N CYS B 179 8.384 9.620 2.376 1.00 0.78 N ATOM 2255 CA CYS B 179 7.009 9.649 1.847 1.00 0.79 C ATOM 2256 C CYS B 179 7.014 10.114 0.376 1.00 0.77 C ATOM 2257 O CYS B 179 7.840 10.895 -0.064 1.00 0.88 O ATOM 2258 CB CYS B 179 6.095 10.451 2.768 1.00 0.92 C ATOM 2259 SG CYS B 179 6.244 9.911 4.509 1.00 1.34 S ATOM 0 H CYS B 179 8.903 10.485 2.228 1.00 0.78 H new ATOM 0 HA CYS B 179 6.589 8.643 1.835 1.00 0.79 H new ATOM 0 HB2 CYS B 179 6.342 11.510 2.693 1.00 0.92 H new ATOM 0 HB3 CYS B 179 5.061 10.341 2.440 1.00 0.92 H new ATOM 2264 N HIS B 180 6.185 9.455 -0.405 1.00 0.70 N ATOM 2265 CA HIS B 180 6.203 9.558 -1.848 1.00 0.75 C ATOM 2266 C HIS B 180 4.877 9.187 -2.467 1.00 0.69 C ATOM 2267 O HIS B 180 4.209 8.219 -2.114 1.00 0.66 O ATOM 2268 CB HIS B 180 7.277 8.606 -2.403 1.00 0.89 C ATOM 2269 CG HIS B 180 7.013 7.148 -2.108 1.00 0.94 C ATOM 2270 ND1 HIS B 180 6.234 6.340 -2.912 1.00 1.60 N ATOM 2271 CD2 HIS B 180 7.436 6.355 -1.090 1.00 1.70 C ATOM 2272 CE1 HIS B 180 6.189 5.120 -2.404 1.00 2.03 C ATOM 2273 NE2 HIS B 180 6.911 5.101 -1.299 1.00 2.10 N ATOM 0 H HIS B 180 5.468 8.823 -0.049 1.00 0.70 H new ATOM 0 HA HIS B 180 6.417 10.597 -2.100 1.00 0.75 H new ATOM 0 HB2 HIS B 180 7.346 8.742 -3.482 1.00 0.89 H new ATOM 0 HB3 HIS B 180 8.245 8.882 -1.984 1.00 0.89 H new ATOM 0 HD2 HIS B 180 8.069 6.654 -0.267 1.00 1.70 H new ATOM 0 HE1 HIS B 180 5.652 4.281 -2.822 1.00 2.03 H new ATOM 0 HE2 HIS B 180 7.056 4.289 -0.699 1.00 2.10 H new ATOM 2282 N GLU B 181 4.505 10.093 -3.384 1.00 0.75 N ATOM 2283 CA GLU B 181 3.257 10.038 -4.104 1.00 0.77 C ATOM 2284 C GLU B 181 3.040 8.668 -4.691 1.00 0.73 C ATOM 2285 O GLU B 181 3.866 8.152 -5.444 1.00 0.94 O ATOM 2286 CB GLU B 181 3.234 11.107 -5.198 1.00 0.93 C ATOM 2287 CG GLU B 181 2.903 12.496 -4.673 1.00 1.69 C ATOM 2288 CD GLU B 181 2.671 13.507 -5.780 1.00 2.34 C ATOM 2289 OE1 GLU B 181 3.632 13.812 -6.516 1.00 3.06 O ATOM 2290 OE2 GLU B 181 1.529 13.995 -5.908 1.00 2.69 O ATOM 0 H GLU B 181 5.085 10.893 -3.639 1.00 0.75 H new ATOM 0 HA GLU B 181 2.443 10.237 -3.407 1.00 0.77 H new ATOM 0 HB2 GLU B 181 4.206 11.134 -5.691 1.00 0.93 H new ATOM 0 HB3 GLU B 181 2.501 10.827 -5.955 1.00 0.93 H new ATOM 0 HG2 GLU B 181 2.012 12.439 -4.047 1.00 1.69 H new ATOM 0 HG3 GLU B 181 3.718 12.842 -4.037 1.00 1.69 H new ATOM 2297 N ASP B 182 1.922 8.083 -4.321 1.00 0.77 N ATOM 2298 CA ASP B 182 1.561 6.767 -4.785 1.00 0.79 C ATOM 2299 C ASP B 182 0.028 6.684 -4.924 1.00 0.97 C ATOM 2300 O ASP B 182 -0.707 7.020 -3.995 1.00 1.22 O ATOM 2301 CB ASP B 182 2.146 5.723 -3.820 1.00 0.90 C ATOM 2302 CG ASP B 182 1.431 4.389 -3.890 1.00 1.39 C ATOM 2303 OD1 ASP B 182 0.199 4.368 -3.715 1.00 1.88 O ATOM 2304 OD2 ASP B 182 2.104 3.368 -4.139 1.00 2.06 O ATOM 0 H ASP B 182 1.241 8.507 -3.691 1.00 0.77 H new ATOM 0 HA ASP B 182 1.978 6.560 -5.771 1.00 0.79 H new ATOM 0 HB2 ASP B 182 3.202 5.576 -4.048 1.00 0.90 H new ATOM 0 HB3 ASP B 182 2.091 6.106 -2.801 1.00 0.90 H new ATOM 2309 N PRO B 183 -0.462 6.287 -6.116 1.00 1.15 N ATOM 2310 CA PRO B 183 -1.908 6.212 -6.434 1.00 1.41 C ATOM 2311 C PRO B 183 -2.768 5.369 -5.485 1.00 1.28 C ATOM 2312 O PRO B 183 -3.995 5.411 -5.563 1.00 1.41 O ATOM 2313 CB PRO B 183 -1.913 5.560 -7.821 1.00 1.79 C ATOM 2314 CG PRO B 183 -0.611 5.938 -8.421 1.00 1.91 C ATOM 2315 CD PRO B 183 0.366 5.929 -7.288 1.00 1.41 C ATOM 0 HA PRO B 183 -2.350 7.205 -6.357 1.00 1.41 H new ATOM 0 HB2 PRO B 183 -2.016 4.477 -7.749 1.00 1.79 H new ATOM 0 HB3 PRO B 183 -2.746 5.920 -8.424 1.00 1.79 H new ATOM 0 HG2 PRO B 183 -0.317 5.233 -9.199 1.00 1.91 H new ATOM 0 HG3 PRO B 183 -0.664 6.922 -8.886 1.00 1.91 H new ATOM 0 HD2 PRO B 183 0.831 4.951 -7.167 1.00 1.41 H new ATOM 0 HD3 PRO B 183 1.170 6.647 -7.446 1.00 1.41 H new ATOM 2323 N ALA B 184 -2.154 4.565 -4.639 1.00 1.13 N ATOM 2324 CA ALA B 184 -2.921 3.694 -3.752 1.00 1.18 C ATOM 2325 C ALA B 184 -3.648 4.411 -2.613 1.00 1.22 C ATOM 2326 O ALA B 184 -4.680 3.926 -2.150 1.00 1.56 O ATOM 2327 CB ALA B 184 -2.042 2.607 -3.179 1.00 1.21 C ATOM 0 H ALA B 184 -1.141 4.492 -4.543 1.00 1.13 H new ATOM 0 HA ALA B 184 -3.698 3.269 -4.387 1.00 1.18 H new ATOM 0 HB1 ALA B 184 -2.633 1.970 -2.521 1.00 1.21 H new ATOM 0 HB2 ALA B 184 -1.629 2.007 -3.990 1.00 1.21 H new ATOM 0 HB3 ALA B 184 -1.228 3.058 -2.611 1.00 1.21 H new ATOM 2333 N CYS B 185 -3.101 5.510 -2.106 1.00 1.05 N ATOM 2334 CA CYS B 185 -3.729 6.174 -0.963 1.00 1.23 C ATOM 2335 C CYS B 185 -4.741 7.259 -1.315 1.00 1.50 C ATOM 2336 O CYS B 185 -5.369 7.810 -0.417 1.00 1.94 O ATOM 2337 CB CYS B 185 -2.661 6.709 0.000 1.00 1.19 C ATOM 2338 SG CYS B 185 -2.669 5.882 1.612 1.00 1.46 S ATOM 0 H CYS B 185 -2.250 5.952 -2.453 1.00 1.05 H new ATOM 0 HA CYS B 185 -4.318 5.399 -0.472 1.00 1.23 H new ATOM 0 HB2 CYS B 185 -1.678 6.590 -0.456 1.00 1.19 H new ATOM 0 HB3 CYS B 185 -2.817 7.778 0.147 1.00 1.19 H new ATOM 2343 N ASP B 186 -4.913 7.586 -2.583 1.00 1.54 N ATOM 2344 CA ASP B 186 -5.859 8.643 -2.937 1.00 1.92 C ATOM 2345 C ASP B 186 -7.011 8.157 -3.811 1.00 1.82 C ATOM 2346 O ASP B 186 -6.941 8.251 -5.034 1.00 2.28 O ATOM 2347 CB ASP B 186 -5.124 9.784 -3.635 1.00 2.44 C ATOM 2348 CG ASP B 186 -5.744 11.133 -3.333 1.00 3.09 C ATOM 2349 OD1 ASP B 186 -6.925 11.335 -3.684 1.00 3.61 O ATOM 2350 OD2 ASP B 186 -5.050 11.986 -2.740 1.00 3.49 O ATOM 0 H ASP B 186 -4.428 7.153 -3.369 1.00 1.54 H new ATOM 0 HA ASP B 186 -6.301 8.991 -2.004 1.00 1.92 H new ATOM 0 HB2 ASP B 186 -4.080 9.787 -3.321 1.00 2.44 H new ATOM 0 HB3 ASP B 186 -5.133 9.615 -4.712 1.00 2.44 H new