USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 479 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -142:sc= -0.0201 (180deg=-0.356) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 170:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.815 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 0:sc= 0.969 USER MOD ----------------------------------------------------------------- ATOM 116 N SER A 9 -10.083 -10.051 0.820 1.00 0.00 N ATOM 117 CA SER A 9 -10.548 -11.171 1.622 1.00 0.00 C ATOM 118 C SER A 9 -11.569 -10.688 2.654 1.00 0.00 C ATOM 119 O SER A 9 -11.869 -9.497 2.725 1.00 0.00 O ATOM 120 CB SER A 9 -9.380 -11.872 2.318 1.00 0.00 C ATOM 121 OG SER A 9 -9.187 -13.198 1.833 1.00 0.00 O ATOM 0 HA SER A 9 -11.026 -11.892 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.468 -11.294 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.563 -11.902 3.392 1.00 0.00 H new ATOM 0 HG SER A 9 -8.431 -13.611 2.301 1.00 0.00 H new ATOM 127 N GLY A 10 -12.074 -11.637 3.428 1.00 0.00 N ATOM 128 CA GLY A 10 -13.055 -11.323 4.453 1.00 0.00 C ATOM 129 C GLY A 10 -12.442 -10.449 5.549 1.00 0.00 C ATOM 130 O GLY A 10 -11.593 -9.604 5.271 1.00 0.00 O ATOM 0 H GLY A 10 -11.822 -12.624 3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.903 -10.807 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.438 -12.245 4.890 1.00 0.00 H new ATOM 134 N ARG A 11 -12.897 -10.682 6.771 1.00 0.00 N ATOM 135 CA ARG A 11 -12.405 -9.926 7.910 1.00 0.00 C ATOM 136 C ARG A 11 -10.901 -10.149 8.085 1.00 0.00 C ATOM 137 O ARG A 11 -10.142 -9.194 8.241 1.00 0.00 O ATOM 138 CB ARG A 11 -13.127 -10.333 9.196 1.00 0.00 C ATOM 139 CG ARG A 11 -13.283 -9.139 10.139 1.00 0.00 C ATOM 140 CD ARG A 11 -12.082 -9.021 11.079 1.00 0.00 C ATOM 141 NE ARG A 11 -12.352 -9.751 12.338 1.00 0.00 N ATOM 142 CZ ARG A 11 -11.634 -9.597 13.471 1.00 0.00 C ATOM 143 NH1 ARG A 11 -10.595 -8.736 13.512 1.00 0.00 N ATOM 144 NH2 ARG A 11 -11.963 -10.301 14.538 1.00 0.00 N ATOM 0 H ARG A 11 -13.601 -11.384 6.997 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.600 -8.871 7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.109 -10.740 8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.569 -11.125 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.385 -8.223 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.197 -9.249 10.723 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.192 -9.426 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.879 -7.972 11.293 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.129 -10.412 12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.347 -8.196 12.683 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.058 -8.626 14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.749 -10.949 14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.431 -10.197 15.402 1.00 0.00 H new ATOM 158 N ALA A 12 -10.516 -11.416 8.053 1.00 0.00 N ATOM 159 CA ALA A 12 -9.116 -11.777 8.206 1.00 0.00 C ATOM 160 C ALA A 12 -8.251 -10.789 7.422 1.00 0.00 C ATOM 161 O ALA A 12 -7.171 -10.410 7.873 1.00 0.00 O ATOM 162 CB ALA A 12 -8.909 -13.223 7.751 1.00 0.00 C ATOM 0 H ALA A 12 -11.148 -12.206 7.923 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.816 -11.719 9.252 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.859 -13.494 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.524 -13.887 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.196 -13.320 6.704 1.00 0.00 H new ATOM 168 N ALA A 13 -8.757 -10.401 6.261 1.00 0.00 N ATOM 169 CA ALA A 13 -8.044 -9.464 5.409 1.00 0.00 C ATOM 170 C ALA A 13 -7.458 -8.343 6.270 1.00 0.00 C ATOM 171 O ALA A 13 -6.248 -8.124 6.271 1.00 0.00 O ATOM 172 CB ALA A 13 -8.988 -8.936 4.327 1.00 0.00 C ATOM 0 H ALA A 13 -9.653 -10.718 5.890 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.215 -9.959 4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.453 -8.233 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.353 -9.768 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.832 -8.430 4.796 1.00 0.00 H new ATOM 178 N VAL A 14 -8.345 -7.662 6.981 1.00 0.00 N ATOM 179 CA VAL A 14 -7.932 -6.568 7.844 1.00 0.00 C ATOM 180 C VAL A 14 -6.708 -7.000 8.656 1.00 0.00 C ATOM 181 O VAL A 14 -5.735 -6.255 8.761 1.00 0.00 O ATOM 182 CB VAL A 14 -9.104 -6.122 8.720 1.00 0.00 C ATOM 183 CG1 VAL A 14 -8.653 -5.086 9.752 1.00 0.00 C ATOM 184 CG2 VAL A 14 -10.252 -5.581 7.866 1.00 0.00 C ATOM 0 H VAL A 14 -9.348 -7.847 6.977 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.640 -5.702 7.251 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.471 -6.995 9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.505 -4.785 10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.884 -5.520 10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.248 -4.214 9.239 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.072 -5.271 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.903 -4.726 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.600 -6.360 7.188 1.00 0.00 H new ATOM 194 N ALA A 15 -6.798 -8.200 9.209 1.00 0.00 N ATOM 195 CA ALA A 15 -5.711 -8.739 10.008 1.00 0.00 C ATOM 196 C ALA A 15 -4.417 -8.700 9.192 1.00 0.00 C ATOM 197 O ALA A 15 -3.378 -8.269 9.691 1.00 0.00 O ATOM 198 CB ALA A 15 -6.068 -10.154 10.467 1.00 0.00 C ATOM 0 H ALA A 15 -7.607 -8.815 9.120 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.556 -8.136 10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.253 -10.559 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.978 -10.123 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.228 -10.790 9.596 1.00 0.00 H new ATOM 204 N ALA A 16 -4.522 -9.156 7.953 1.00 0.00 N ATOM 205 CA ALA A 16 -3.372 -9.178 7.064 1.00 0.00 C ATOM 206 C ALA A 16 -2.901 -7.744 6.810 1.00 0.00 C ATOM 207 O ALA A 16 -1.726 -7.514 6.532 1.00 0.00 O ATOM 208 CB ALA A 16 -3.741 -9.908 5.771 1.00 0.00 C ATOM 0 H ALA A 16 -5.385 -9.513 7.543 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.544 -9.721 7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.879 -9.925 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.040 -10.930 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.567 -9.390 5.284 1.00 0.00 H new ATOM 214 N VAL A 17 -3.843 -6.819 6.916 1.00 0.00 N ATOM 215 CA VAL A 17 -3.539 -5.414 6.701 1.00 0.00 C ATOM 216 C VAL A 17 -2.926 -4.829 7.975 1.00 0.00 C ATOM 217 O VAL A 17 -2.254 -3.800 7.929 1.00 0.00 O ATOM 218 CB VAL A 17 -4.796 -4.670 6.247 1.00 0.00 C ATOM 219 CG1 VAL A 17 -4.587 -3.155 6.302 1.00 0.00 C ATOM 220 CG2 VAL A 17 -5.220 -5.114 4.846 1.00 0.00 C ATOM 0 H VAL A 17 -4.817 -7.014 7.148 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.804 -5.300 5.904 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.602 -4.922 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.496 -2.650 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.355 -2.857 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.761 -2.878 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.116 -4.570 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.417 -4.906 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.430 -6.184 4.851 1.00 0.00 H new ATOM 230 N VAL A 18 -3.178 -5.512 9.082 1.00 0.00 N ATOM 231 CA VAL A 18 -2.659 -5.073 10.367 1.00 0.00 C ATOM 232 C VAL A 18 -1.174 -5.431 10.461 1.00 0.00 C ATOM 233 O VAL A 18 -0.418 -4.773 11.173 1.00 0.00 O ATOM 234 CB VAL A 18 -3.492 -5.673 11.501 1.00 0.00 C ATOM 235 CG1 VAL A 18 -2.797 -6.896 12.103 1.00 0.00 C ATOM 236 CG2 VAL A 18 -3.790 -4.626 12.576 1.00 0.00 C ATOM 0 H VAL A 18 -3.735 -6.366 9.116 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.739 -3.990 10.462 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.443 -6.001 11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.410 -7.304 12.907 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.660 -7.653 11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.825 -6.603 12.500 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.383 -5.079 13.370 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.853 -4.253 12.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.346 -3.799 12.134 1.00 0.00 H new ATOM 246 N GLY A 19 -0.802 -6.473 9.733 1.00 0.00 N ATOM 247 CA GLY A 19 0.578 -6.926 9.725 1.00 0.00 C ATOM 248 C GLY A 19 1.490 -5.897 9.054 1.00 0.00 C ATOM 249 O GLY A 19 1.490 -5.767 7.831 1.00 0.00 O ATOM 0 H GLY A 19 -1.433 -7.017 9.144 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.913 -7.102 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.649 -7.878 9.199 1.00 0.00 H new ATOM 253 N GLY A 20 2.244 -5.192 9.884 1.00 0.00 N ATOM 254 CA GLY A 20 3.159 -4.178 9.386 1.00 0.00 C ATOM 255 C GLY A 20 2.674 -2.775 9.754 1.00 0.00 C ATOM 256 O GLY A 20 2.801 -1.843 8.961 1.00 0.00 O ATOM 0 H GLY A 20 2.240 -5.302 10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.153 -4.344 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.248 -4.264 8.303 1.00 0.00 H new ATOM 260 N VAL A 21 2.128 -2.668 10.956 1.00 0.00 N ATOM 261 CA VAL A 21 1.624 -1.393 11.439 1.00 0.00 C ATOM 262 C VAL A 21 2.672 -0.307 11.187 1.00 0.00 C ATOM 263 O VAL A 21 2.373 0.719 10.579 1.00 0.00 O ATOM 264 CB VAL A 21 1.227 -1.512 12.912 1.00 0.00 C ATOM 265 CG1 VAL A 21 0.010 -2.423 13.080 1.00 0.00 C ATOM 266 CG2 VAL A 21 2.402 -2.005 13.758 1.00 0.00 C ATOM 0 H VAL A 21 2.023 -3.443 11.610 1.00 0.00 H new ATOM 0 HA VAL A 21 0.723 -1.107 10.896 1.00 0.00 H new ATOM 0 HB VAL A 21 0.953 -0.518 13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.251 -2.490 14.136 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.832 -2.012 12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.245 -3.417 12.700 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.093 -2.081 14.801 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.721 -2.985 13.402 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.230 -1.301 13.675 1.00 0.00 H new ATOM 276 N VAL A 22 3.878 -0.570 11.668 1.00 0.00 N ATOM 277 CA VAL A 22 4.972 0.372 11.503 1.00 0.00 C ATOM 278 C VAL A 22 5.042 0.814 10.040 1.00 0.00 C ATOM 279 O VAL A 22 5.097 2.008 9.750 1.00 0.00 O ATOM 280 CB VAL A 22 6.277 -0.249 12.003 1.00 0.00 C ATOM 281 CG1 VAL A 22 7.472 0.651 11.678 1.00 0.00 C ATOM 282 CG2 VAL A 22 6.205 -0.543 13.503 1.00 0.00 C ATOM 0 H VAL A 22 4.122 -1.422 12.172 1.00 0.00 H new ATOM 0 HA VAL A 22 4.801 1.265 12.105 1.00 0.00 H new ATOM 0 HB VAL A 22 6.419 -1.196 11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.388 0.186 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.541 0.788 10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.339 1.620 12.159 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.146 -0.984 13.833 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.028 0.385 14.048 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.389 -1.239 13.699 1.00 0.00 H new ATOM 292 N ALA A 23 5.037 -0.173 9.156 1.00 0.00 N ATOM 293 CA ALA A 23 5.100 0.099 7.730 1.00 0.00 C ATOM 294 C ALA A 23 3.976 1.065 7.349 1.00 0.00 C ATOM 295 O ALA A 23 4.171 1.954 6.523 1.00 0.00 O ATOM 296 CB ALA A 23 5.024 -1.219 6.955 1.00 0.00 C ATOM 0 H ALA A 23 4.990 -1.162 9.400 1.00 0.00 H new ATOM 0 HA ALA A 23 6.046 0.575 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.071 -1.015 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.860 -1.857 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.086 -1.724 7.187 1.00 0.00 H new ATOM 302 N VAL A 24 2.825 0.857 7.971 1.00 0.00 N ATOM 303 CA VAL A 24 1.670 1.698 7.708 1.00 0.00 C ATOM 304 C VAL A 24 1.935 3.105 8.248 1.00 0.00 C ATOM 305 O VAL A 24 1.442 4.088 7.698 1.00 0.00 O ATOM 306 CB VAL A 24 0.411 1.059 8.298 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.814 1.946 8.068 1.00 0.00 C ATOM 308 CG2 VAL A 24 0.189 -0.343 7.727 1.00 0.00 C ATOM 0 H VAL A 24 2.668 0.118 8.656 1.00 0.00 H new ATOM 0 HA VAL A 24 1.500 1.788 6.635 1.00 0.00 H new ATOM 0 HB VAL A 24 0.557 0.963 9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.695 1.468 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.657 2.914 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.964 2.089 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.712 -0.775 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.075 -0.281 6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.046 -0.973 7.966 1.00 0.00 H new ATOM 318 N GLY A 25 2.714 3.156 9.318 1.00 0.00 N ATOM 319 CA GLY A 25 3.051 4.426 9.939 1.00 0.00 C ATOM 320 C GLY A 25 3.980 5.245 9.041 1.00 0.00 C ATOM 321 O GLY A 25 3.676 6.389 8.706 1.00 0.00 O ATOM 0 H GLY A 25 3.122 2.338 9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.140 4.991 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.532 4.248 10.901 1.00 0.00 H new ATOM 325 N THR A 26 5.095 4.628 8.676 1.00 0.00 N ATOM 326 CA THR A 26 6.070 5.286 7.823 1.00 0.00 C ATOM 327 C THR A 26 5.413 5.750 6.522 1.00 0.00 C ATOM 328 O THR A 26 5.607 6.888 6.096 1.00 0.00 O ATOM 329 CB THR A 26 7.235 4.319 7.605 1.00 0.00 C ATOM 330 OG1 THR A 26 7.935 4.332 8.846 1.00 0.00 O ATOM 331 CG2 THR A 26 8.256 4.851 6.596 1.00 0.00 C ATOM 0 H THR A 26 5.344 3.679 8.956 1.00 0.00 H new ATOM 0 HA THR A 26 6.461 6.189 8.292 1.00 0.00 H new ATOM 0 HB THR A 26 6.850 3.359 7.261 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.706 3.729 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.062 4.127 6.478 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.768 5.011 5.635 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.666 5.795 6.956 1.00 0.00 H new ATOM 339 N VAL A 27 4.649 4.846 5.926 1.00 0.00 N ATOM 340 CA VAL A 27 3.963 5.149 4.682 1.00 0.00 C ATOM 341 C VAL A 27 3.090 6.390 4.875 1.00 0.00 C ATOM 342 O VAL A 27 3.220 7.365 4.137 1.00 0.00 O ATOM 343 CB VAL A 27 3.170 3.928 4.212 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.052 4.337 3.251 1.00 0.00 C ATOM 345 CG2 VAL A 27 4.092 2.889 3.569 1.00 0.00 C ATOM 0 H VAL A 27 4.490 3.903 6.282 1.00 0.00 H new ATOM 0 HA VAL A 27 4.682 5.377 3.895 1.00 0.00 H new ATOM 0 HB VAL A 27 2.709 3.471 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.504 3.450 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.371 5.023 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.483 4.830 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.503 2.031 3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.595 3.331 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.836 2.563 4.296 1.00 0.00 H new ATOM 355 N LEU A 28 2.220 6.314 5.872 1.00 0.00 N ATOM 356 CA LEU A 28 1.326 7.419 6.171 1.00 0.00 C ATOM 357 C LEU A 28 2.130 8.721 6.220 1.00 0.00 C ATOM 358 O LEU A 28 1.947 9.599 5.378 1.00 0.00 O ATOM 359 CB LEU A 28 0.535 7.137 7.449 1.00 0.00 C ATOM 360 CG LEU A 28 -0.982 7.017 7.287 1.00 0.00 C ATOM 361 CD1 LEU A 28 -1.500 5.723 7.917 1.00 0.00 C ATOM 362 CD2 LEU A 28 -1.693 8.252 7.845 1.00 0.00 C ATOM 0 H LEU A 28 2.116 5.504 6.483 1.00 0.00 H new ATOM 0 HA LEU A 28 0.583 7.532 5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.908 6.211 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.742 7.933 8.164 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.209 6.969 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.581 5.663 7.788 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.028 4.868 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.261 5.715 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.770 8.141 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.462 8.357 8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.354 9.139 7.311 1.00 0.00 H new ATOM 374 N VAL A 29 3.003 8.803 7.213 1.00 0.00 N ATOM 375 CA VAL A 29 3.835 9.982 7.382 1.00 0.00 C ATOM 376 C VAL A 29 4.316 10.462 6.012 1.00 0.00 C ATOM 377 O VAL A 29 4.339 11.662 5.743 1.00 0.00 O ATOM 378 CB VAL A 29 4.983 9.678 8.347 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.995 10.825 8.373 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.455 9.381 9.752 1.00 0.00 C ATOM 0 H VAL A 29 3.152 8.072 7.909 1.00 0.00 H new ATOM 0 HA VAL A 29 3.261 10.794 7.827 1.00 0.00 H new ATOM 0 HB VAL A 29 5.496 8.786 7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.801 10.584 9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.407 10.969 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.499 11.740 8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.292 9.168 10.418 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.906 10.246 10.125 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.791 8.517 9.716 1.00 0.00 H new ATOM 390 N ALA A 30 4.690 9.500 5.181 1.00 0.00 N ATOM 391 CA ALA A 30 5.170 9.810 3.845 1.00 0.00 C ATOM 392 C ALA A 30 4.102 10.610 3.097 1.00 0.00 C ATOM 393 O ALA A 30 4.391 11.668 2.540 1.00 0.00 O ATOM 394 CB ALA A 30 5.540 8.513 3.122 1.00 0.00 C ATOM 0 H ALA A 30 4.670 8.506 5.407 1.00 0.00 H new ATOM 0 HA ALA A 30 6.069 10.425 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.900 8.745 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.322 7.997 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.661 7.872 3.052 1.00 0.00 H new ATOM 400 N LEU A 31 2.891 10.074 3.108 1.00 0.00 N ATOM 401 CA LEU A 31 1.778 10.725 2.438 1.00 0.00 C ATOM 402 C LEU A 31 1.396 11.992 3.206 1.00 0.00 C ATOM 403 O LEU A 31 1.671 13.103 2.754 1.00 0.00 O ATOM 404 CB LEU A 31 0.617 9.745 2.252 1.00 0.00 C ATOM 405 CG LEU A 31 0.444 9.171 0.844 1.00 0.00 C ATOM 406 CD1 LEU A 31 0.134 10.278 -0.166 1.00 0.00 C ATOM 407 CD2 LEU A 31 1.666 8.347 0.434 1.00 0.00 C ATOM 0 H LEU A 31 2.656 9.196 3.570 1.00 0.00 H new ATOM 0 HA LEU A 31 2.067 11.035 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.752 8.916 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.307 10.250 2.533 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.412 8.496 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.016 9.843 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.788 10.784 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.953 10.997 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.517 7.951 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.553 8.981 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.800 7.522 1.134 1.00 0.00 H new ATOM 419 N SER A 32 0.768 11.783 4.354 1.00 0.00 N ATOM 420 CA SER A 32 0.346 12.895 5.189 1.00 0.00 C ATOM 421 C SER A 32 1.407 13.997 5.170 1.00 0.00 C ATOM 422 O SER A 32 1.170 15.083 4.644 1.00 0.00 O ATOM 423 CB SER A 32 0.083 12.436 6.625 1.00 0.00 C ATOM 424 OG SER A 32 -0.648 13.407 7.369 1.00 0.00 O ATOM 0 H SER A 32 0.541 10.860 4.725 1.00 0.00 H new ATOM 0 HA SER A 32 -0.586 13.291 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.471 11.498 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.033 12.237 7.122 1.00 0.00 H new ATOM 0 HG SER A 32 -0.798 13.077 8.280 1.00 0.00 H new ATOM 430 N ALA A 33 2.555 13.678 5.749 1.00 0.00 N ATOM 431 CA ALA A 33 3.654 14.628 5.806 1.00 0.00 C ATOM 432 C ALA A 33 4.475 14.528 4.518 1.00 0.00 C ATOM 433 O ALA A 33 4.105 13.802 3.597 1.00 0.00 O ATOM 434 CB ALA A 33 4.495 14.362 7.056 1.00 0.00 C ATOM 0 H ALA A 33 2.748 12.775 6.183 1.00 0.00 H new ATOM 0 HA ALA A 33 3.277 15.648 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.319 15.074 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.873 14.474 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.894 13.348 7.017 1.00 0.00 H new ATOM 440 N MET A 34 5.573 15.268 4.496 1.00 0.00 N ATOM 441 CA MET A 34 6.449 15.272 3.337 1.00 0.00 C ATOM 442 C MET A 34 7.732 16.056 3.622 1.00 0.00 C ATOM 443 O MET A 34 8.822 15.630 3.241 1.00 0.00 O ATOM 444 CB MET A 34 5.720 15.901 2.148 1.00 0.00 C ATOM 445 CG MET A 34 5.484 14.870 1.042 1.00 0.00 C ATOM 446 SD MET A 34 4.559 15.609 -0.294 1.00 0.00 S ATOM 447 CE MET A 34 2.932 15.647 0.440 1.00 0.00 C ATOM 0 H MET A 34 5.876 15.869 5.262 1.00 0.00 H new ATOM 0 HA MET A 34 6.719 14.242 3.105 1.00 0.00 H new ATOM 0 HB2 MET A 34 4.765 16.311 2.478 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.306 16.732 1.756 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.439 14.497 0.671 1.00 0.00 H new ATOM 0 HG3 MET A 34 4.941 14.014 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.185 15.417 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 34 2.876 14.908 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.740 16.639 0.849 1.00 0.00 H new ATOM 457 N GLY A 35 7.560 17.187 4.290 1.00 0.00 N ATOM 458 CA GLY A 35 8.691 18.034 4.630 1.00 0.00 C ATOM 459 C GLY A 35 8.547 18.598 6.046 1.00 0.00 C ATOM 460 O GLY A 35 9.412 18.382 6.894 1.00 0.00 O ATOM 0 H GLY A 35 6.655 17.537 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.615 17.461 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.765 18.853 3.914 1.00 0.00 H new ATOM 464 N PHE A 36 7.449 19.308 6.257 1.00 0.00 N ATOM 465 CA PHE A 36 7.181 19.904 7.555 1.00 0.00 C ATOM 466 C PHE A 36 5.837 20.635 7.555 1.00 0.00 C ATOM 467 O PHE A 36 5.711 21.709 8.141 1.00 0.00 O ATOM 468 CB PHE A 36 8.298 20.914 7.822 1.00 0.00 C ATOM 469 CG PHE A 36 8.461 21.967 6.724 1.00 0.00 C ATOM 470 CD1 PHE A 36 9.196 21.685 5.615 1.00 0.00 C ATOM 471 CD2 PHE A 36 7.870 23.185 6.857 1.00 0.00 C ATOM 472 CE1 PHE A 36 9.346 22.662 4.596 1.00 0.00 C ATOM 473 CE2 PHE A 36 8.021 24.162 5.838 1.00 0.00 C ATOM 474 CZ PHE A 36 8.756 23.880 4.728 1.00 0.00 C ATOM 0 H PHE A 36 6.734 19.484 5.551 1.00 0.00 H new ATOM 0 HA PHE A 36 7.142 19.129 8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.099 21.418 8.768 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.239 20.377 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.665 20.718 5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.286 23.409 7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.929 22.438 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.552 25.129 5.944 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.871 24.623 3.953 1.00 0.00 H new ATOM 484 N THR A 37 4.866 20.023 6.893 1.00 0.00 N ATOM 485 CA THR A 37 3.536 20.602 6.810 1.00 0.00 C ATOM 486 C THR A 37 2.472 19.531 7.055 1.00 0.00 C ATOM 487 O THR A 37 2.210 18.700 6.187 1.00 0.00 O ATOM 488 CB THR A 37 3.404 21.289 5.449 1.00 0.00 C ATOM 489 OG1 THR A 37 2.232 22.089 5.577 1.00 0.00 O ATOM 490 CG2 THR A 37 3.064 20.306 4.327 1.00 0.00 C ATOM 0 H THR A 37 4.974 19.132 6.409 1.00 0.00 H new ATOM 0 HA THR A 37 3.382 21.352 7.586 1.00 0.00 H new ATOM 0 HB THR A 37 4.335 21.804 5.210 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.072 22.572 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.982 20.845 3.383 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.851 19.556 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.116 19.815 4.548 1.00 0.00 H new ATOM 498 N SER A 38 1.887 19.585 8.243 1.00 0.00 N ATOM 499 CA SER A 38 0.857 18.630 8.614 1.00 0.00 C ATOM 500 C SER A 38 0.418 18.869 10.060 1.00 0.00 C ATOM 501 O SER A 38 -0.764 18.751 10.381 1.00 0.00 O ATOM 502 CB SER A 38 1.351 17.192 8.440 1.00 0.00 C ATOM 503 OG SER A 38 2.558 16.952 9.158 1.00 0.00 O ATOM 0 H SER A 38 2.107 20.275 8.961 1.00 0.00 H new ATOM 0 HA SER A 38 0.002 18.775 7.953 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.582 16.500 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.513 16.990 7.381 1.00 0.00 H new ATOM 0 HG SER A 38 2.754 15.992 9.156 1.00 0.00 H new ATOM 509 N VAL A 39 1.393 19.202 10.894 1.00 0.00 N ATOM 510 CA VAL A 39 1.121 19.459 12.298 1.00 0.00 C ATOM 511 C VAL A 39 0.147 20.632 12.418 1.00 0.00 C ATOM 512 O VAL A 39 -1.059 20.463 12.242 1.00 0.00 O ATOM 513 CB VAL A 39 2.433 19.692 13.050 1.00 0.00 C ATOM 514 CG1 VAL A 39 3.072 18.364 13.462 1.00 0.00 C ATOM 515 CG2 VAL A 39 3.402 20.531 12.215 1.00 0.00 C ATOM 0 H VAL A 39 2.372 19.300 10.624 1.00 0.00 H new ATOM 0 HA VAL A 39 0.646 18.594 12.760 1.00 0.00 H new ATOM 0 HB VAL A 39 2.204 20.250 13.958 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.003 18.558 13.995 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.389 17.818 14.112 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.280 17.769 12.573 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.326 20.682 12.773 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.622 20.012 11.282 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.949 21.498 11.995 1.00 0.00 H new ATOM 525 N GLY A 40 0.706 21.796 12.717 1.00 0.00 N ATOM 526 CA GLY A 40 -0.099 22.997 12.863 1.00 0.00 C ATOM 527 C GLY A 40 -1.257 23.006 11.863 1.00 0.00 C ATOM 528 O GLY A 40 -2.418 23.115 12.253 1.00 0.00 O ATOM 0 H GLY A 40 1.706 21.933 12.862 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.490 23.055 13.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.525 23.878 12.711 1.00 0.00 H new ATOM 532 N ILE A 41 -0.900 22.890 10.592 1.00 0.00 N ATOM 533 CA ILE A 41 -1.895 22.883 9.533 1.00 0.00 C ATOM 534 C ILE A 41 -3.094 22.039 9.970 1.00 0.00 C ATOM 535 O ILE A 41 -4.228 22.514 9.963 1.00 0.00 O ATOM 536 CB ILE A 41 -1.270 22.426 8.213 1.00 0.00 C ATOM 537 CG1 ILE A 41 -2.322 22.352 7.105 1.00 0.00 C ATOM 538 CG2 ILE A 41 -0.528 21.100 8.388 1.00 0.00 C ATOM 539 CD1 ILE A 41 -2.237 23.573 6.186 1.00 0.00 C ATOM 0 H ILE A 41 0.064 22.800 10.272 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.264 23.892 9.352 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.533 23.169 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.178 21.443 6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.317 22.293 7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.093 20.798 7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.265 21.221 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.226 20.335 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.996 23.496 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.406 24.479 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.249 23.615 5.727 1.00 0.00 H new ATOM 551 N ALA A 42 -2.801 20.801 10.341 1.00 0.00 N ATOM 552 CA ALA A 42 -3.841 19.886 10.781 1.00 0.00 C ATOM 553 C ALA A 42 -4.629 20.528 11.925 1.00 0.00 C ATOM 554 O ALA A 42 -5.858 20.474 11.944 1.00 0.00 O ATOM 555 CB ALA A 42 -3.210 18.552 11.185 1.00 0.00 C ATOM 0 H ALA A 42 -1.859 20.410 10.346 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.542 19.684 9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.990 17.866 11.515 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.687 18.123 10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.503 18.715 11.998 1.00 0.00 H new ATOM 561 N ALA A 43 -3.889 21.121 12.850 1.00 0.00 N ATOM 562 CA ALA A 43 -4.504 21.772 13.995 1.00 0.00 C ATOM 563 C ALA A 43 -5.498 22.826 13.503 1.00 0.00 C ATOM 564 O ALA A 43 -6.514 23.075 14.149 1.00 0.00 O ATOM 565 CB ALA A 43 -3.414 22.370 14.888 1.00 0.00 C ATOM 0 H ALA A 43 -2.870 21.165 12.830 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.058 21.051 14.595 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.875 22.858 15.747 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.751 21.577 15.234 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.839 23.101 14.320 1.00 0.00 H new ATOM 571 N SER A 44 -5.169 23.418 12.364 1.00 0.00 N ATOM 572 CA SER A 44 -6.020 24.439 11.778 1.00 0.00 C ATOM 573 C SER A 44 -7.297 23.802 11.224 1.00 0.00 C ATOM 574 O SER A 44 -8.399 24.280 11.489 1.00 0.00 O ATOM 575 CB SER A 44 -5.286 25.202 10.674 1.00 0.00 C ATOM 576 OG SER A 44 -4.033 25.713 11.121 1.00 0.00 O ATOM 0 H SER A 44 -4.324 23.210 11.831 1.00 0.00 H new ATOM 0 HA SER A 44 -6.286 25.151 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.125 24.541 9.822 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.910 26.025 10.326 1.00 0.00 H new ATOM 0 HG SER A 44 -3.594 26.192 10.387 1.00 0.00 H new ATOM 582 N SER A 45 -7.105 22.733 10.465 1.00 0.00 N ATOM 583 CA SER A 45 -8.227 22.026 9.872 1.00 0.00 C ATOM 584 C SER A 45 -9.165 21.518 10.969 1.00 0.00 C ATOM 585 O SER A 45 -10.343 21.872 10.997 1.00 0.00 O ATOM 586 CB SER A 45 -7.747 20.862 9.003 1.00 0.00 C ATOM 587 OG SER A 45 -8.519 20.732 7.812 1.00 0.00 O ATOM 0 H SER A 45 -6.189 22.340 10.247 1.00 0.00 H new ATOM 0 HA SER A 45 -8.770 22.722 9.232 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.700 21.012 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.803 19.936 9.574 1.00 0.00 H new ATOM 0 HG SER A 45 -8.181 19.979 7.283 1.00 0.00 H new ATOM 593 N ILE A 46 -8.607 20.696 11.846 1.00 0.00 N ATOM 594 CA ILE A 46 -9.379 20.135 12.942 1.00 0.00 C ATOM 595 C ILE A 46 -10.088 21.266 13.691 1.00 0.00 C ATOM 596 O ILE A 46 -11.301 21.217 13.890 1.00 0.00 O ATOM 597 CB ILE A 46 -8.489 19.269 13.835 1.00 0.00 C ATOM 598 CG1 ILE A 46 -7.900 18.096 13.050 1.00 0.00 C ATOM 599 CG2 ILE A 46 -9.249 18.803 15.079 1.00 0.00 C ATOM 600 CD1 ILE A 46 -6.669 17.525 13.758 1.00 0.00 C ATOM 0 H ILE A 46 -7.630 20.405 11.820 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.154 19.469 12.562 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.653 19.878 14.178 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.653 17.316 12.936 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.627 18.425 12.047 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.594 18.189 15.697 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.579 19.671 15.650 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.117 18.217 14.777 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.270 16.692 13.179 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.909 18.301 13.849 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.950 17.174 14.751 1.00 0.00 H new ATOM 612 N ALA A 47 -9.301 22.256 14.085 1.00 0.00 N ATOM 613 CA ALA A 47 -9.839 23.397 14.807 1.00 0.00 C ATOM 614 C ALA A 47 -11.055 23.943 14.056 1.00 0.00 C ATOM 615 O ALA A 47 -12.118 24.134 14.645 1.00 0.00 O ATOM 616 CB ALA A 47 -8.744 24.449 14.987 1.00 0.00 C ATOM 0 H ALA A 47 -8.295 22.292 13.918 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.172 23.100 15.801 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.147 25.305 15.528 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.916 24.020 15.551 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.387 24.773 14.010 1.00 0.00 H new ATOM 622 N ALA A 48 -10.858 24.180 12.768 1.00 0.00 N ATOM 623 CA ALA A 48 -11.925 24.700 11.931 1.00 0.00 C ATOM 624 C ALA A 48 -13.170 23.826 12.095 1.00 0.00 C ATOM 625 O ALA A 48 -14.230 24.314 12.482 1.00 0.00 O ATOM 626 CB ALA A 48 -11.448 24.769 10.478 1.00 0.00 C ATOM 0 H ALA A 48 -9.975 24.021 12.283 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.191 25.712 12.235 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.249 25.159 9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.581 25.426 10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.174 23.771 10.137 1.00 0.00 H new ATOM 632 N LYS A 49 -12.999 22.547 11.792 1.00 0.00 N ATOM 633 CA LYS A 49 -14.095 21.599 11.902 1.00 0.00 C ATOM 634 C LYS A 49 -15.259 22.069 11.027 1.00 0.00 C ATOM 635 O LYS A 49 -16.006 22.967 11.411 1.00 0.00 O ATOM 636 CB LYS A 49 -14.475 21.386 13.368 1.00 0.00 C ATOM 637 CG LYS A 49 -13.820 20.121 13.926 1.00 0.00 C ATOM 638 CD LYS A 49 -14.877 19.106 14.367 1.00 0.00 C ATOM 639 CE LYS A 49 -14.859 17.870 13.466 1.00 0.00 C ATOM 640 NZ LYS A 49 -15.950 17.941 12.468 1.00 0.00 N ATOM 0 H LYS A 49 -12.118 22.145 11.471 1.00 0.00 H new ATOM 0 HA LYS A 49 -13.791 20.620 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.166 22.250 13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -15.558 21.309 13.459 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.177 19.675 13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.183 20.380 14.772 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.694 18.810 15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.864 19.567 14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.897 17.797 12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.969 16.970 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.924 17.095 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.866 17.989 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.828 18.790 11.880 1.00 0.00 H new ATOM 823 N ALA A 64 -9.545 11.744 -0.719 1.00 0.00 N ATOM 824 CA ALA A 64 -9.681 13.170 -0.957 1.00 0.00 C ATOM 825 C ALA A 64 -9.758 13.427 -2.463 1.00 0.00 C ATOM 826 O ALA A 64 -10.828 13.719 -2.994 1.00 0.00 O ATOM 827 CB ALA A 64 -8.517 13.912 -0.298 1.00 0.00 C ATOM 0 HA ALA A 64 -10.602 13.546 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.620 14.982 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.525 13.721 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.576 13.562 -0.722 1.00 0.00 H new ATOM 833 N GLY A 65 -8.608 13.307 -3.110 1.00 0.00 N ATOM 834 CA GLY A 65 -8.530 13.522 -4.545 1.00 0.00 C ATOM 835 C GLY A 65 -7.218 12.976 -5.112 1.00 0.00 C ATOM 836 O GLY A 65 -7.081 11.772 -5.320 1.00 0.00 O ATOM 0 H GLY A 65 -7.722 13.064 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.373 13.035 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.608 14.587 -4.761 1.00 0.00 H new ATOM 840 N SER A 66 -6.287 13.889 -5.345 1.00 0.00 N ATOM 841 CA SER A 66 -4.990 13.514 -5.884 1.00 0.00 C ATOM 842 C SER A 66 -4.461 12.275 -5.159 1.00 0.00 C ATOM 843 O SER A 66 -3.701 11.495 -5.730 1.00 0.00 O ATOM 844 CB SER A 66 -3.990 14.666 -5.765 1.00 0.00 C ATOM 845 OG SER A 66 -3.276 14.880 -6.979 1.00 0.00 O ATOM 0 H SER A 66 -6.404 14.887 -5.171 1.00 0.00 H new ATOM 0 HA SER A 66 -5.113 13.283 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.519 15.578 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.284 14.452 -4.962 1.00 0.00 H new ATOM 0 HG SER A 66 -2.649 15.624 -6.863 1.00 0.00 H new ATOM 851 N LEU A 67 -4.884 12.133 -3.911 1.00 0.00 N ATOM 852 CA LEU A 67 -4.462 11.002 -3.102 1.00 0.00 C ATOM 853 C LEU A 67 -4.642 9.711 -3.904 1.00 0.00 C ATOM 854 O LEU A 67 -3.718 8.906 -4.007 1.00 0.00 O ATOM 855 CB LEU A 67 -5.196 10.999 -1.760 1.00 0.00 C ATOM 856 CG LEU A 67 -4.316 11.108 -0.514 1.00 0.00 C ATOM 857 CD1 LEU A 67 -5.081 11.753 0.643 1.00 0.00 C ATOM 858 CD2 LEU A 67 -3.739 9.744 -0.129 1.00 0.00 C ATOM 0 H LEU A 67 -5.514 12.782 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.402 11.082 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.904 11.828 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.779 10.081 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.474 11.760 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.432 11.818 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.402 12.754 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.954 11.147 0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.117 9.850 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.553 9.050 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.135 9.359 -0.951 1.00 0.00 H new ATOM 870 N VAL A 68 -5.838 9.555 -4.453 1.00 0.00 N ATOM 871 CA VAL A 68 -6.151 8.377 -5.243 1.00 0.00 C ATOM 872 C VAL A 68 -5.005 8.103 -6.219 1.00 0.00 C ATOM 873 O VAL A 68 -4.611 6.954 -6.413 1.00 0.00 O ATOM 874 CB VAL A 68 -7.501 8.557 -5.940 1.00 0.00 C ATOM 875 CG1 VAL A 68 -8.550 9.105 -4.970 1.00 0.00 C ATOM 876 CG2 VAL A 68 -7.367 9.458 -7.169 1.00 0.00 C ATOM 0 H VAL A 68 -6.602 10.225 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.247 7.501 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.837 7.577 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.500 9.224 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.676 8.410 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.222 10.072 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.341 9.570 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.998 10.437 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.667 9.010 -7.874 1.00 0.00 H new ATOM 886 N ALA A 69 -4.503 9.179 -6.808 1.00 0.00 N ATOM 887 CA ALA A 69 -3.411 9.069 -7.760 1.00 0.00 C ATOM 888 C ALA A 69 -2.267 8.274 -7.128 1.00 0.00 C ATOM 889 O ALA A 69 -1.744 7.342 -7.737 1.00 0.00 O ATOM 890 CB ALA A 69 -2.975 10.468 -8.200 1.00 0.00 C ATOM 0 H ALA A 69 -4.832 10.130 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.732 8.532 -8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.156 10.386 -8.914 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.815 10.980 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.643 11.036 -7.331 1.00 0.00 H new ATOM 896 N ILE A 70 -1.913 8.671 -5.915 1.00 0.00 N ATOM 897 CA ILE A 70 -0.840 8.007 -5.193 1.00 0.00 C ATOM 898 C ILE A 70 -1.303 6.610 -4.773 1.00 0.00 C ATOM 899 O ILE A 70 -0.493 5.691 -4.662 1.00 0.00 O ATOM 900 CB ILE A 70 -0.362 8.874 -4.027 1.00 0.00 C ATOM 901 CG1 ILE A 70 0.247 10.184 -4.531 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.605 8.100 -3.129 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.818 11.277 -4.640 1.00 0.00 C ATOM 0 H ILE A 70 -2.350 9.444 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 70 0.029 7.875 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.228 9.135 -3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.037 10.507 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.709 10.023 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.930 8.739 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.103 7.220 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.472 7.789 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.359 12.198 -5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.594 10.961 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.261 11.452 -3.660 1.00 0.00 H new ATOM 915 N LEU A 71 -2.604 6.495 -4.549 1.00 0.00 N ATOM 916 CA LEU A 71 -3.184 5.227 -4.143 1.00 0.00 C ATOM 917 C LEU A 71 -2.945 4.187 -5.240 1.00 0.00 C ATOM 918 O LEU A 71 -2.532 3.064 -4.956 1.00 0.00 O ATOM 919 CB LEU A 71 -4.658 5.405 -3.776 1.00 0.00 C ATOM 920 CG LEU A 71 -5.145 4.621 -2.555 1.00 0.00 C ATOM 921 CD1 LEU A 71 -4.856 3.127 -2.712 1.00 0.00 C ATOM 922 CD2 LEU A 71 -4.548 5.188 -1.266 1.00 0.00 C ATOM 0 H LEU A 71 -3.273 7.260 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.697 4.857 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.843 6.465 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.263 5.114 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.227 4.734 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.212 2.593 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.368 2.748 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.782 2.974 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.910 4.613 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.461 5.126 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.847 6.230 -1.154 1.00 0.00 H new ATOM 934 N GLN A 72 -3.215 4.599 -6.470 1.00 0.00 N ATOM 935 CA GLN A 72 -3.034 3.717 -7.611 1.00 0.00 C ATOM 936 C GLN A 72 -1.548 3.426 -7.826 1.00 0.00 C ATOM 937 O GLN A 72 -1.148 2.267 -7.933 1.00 0.00 O ATOM 938 CB GLN A 72 -3.664 4.315 -8.871 1.00 0.00 C ATOM 939 CG GLN A 72 -4.776 3.412 -9.409 1.00 0.00 C ATOM 940 CD GLN A 72 -5.516 4.085 -10.567 1.00 0.00 C ATOM 941 OE1 GLN A 72 -5.202 3.896 -11.731 1.00 0.00 O ATOM 942 NE2 GLN A 72 -6.512 4.878 -10.184 1.00 0.00 N ATOM 0 H GLN A 72 -3.558 5.531 -6.702 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.542 2.775 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.069 5.302 -8.646 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.899 4.451 -9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.351 2.466 -9.745 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.479 3.179 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.721 4.991 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.067 5.373 -10.882 1.00 0.00 H new ATOM 951 N SER A 73 -0.769 4.497 -7.884 1.00 0.00 N ATOM 952 CA SER A 73 0.664 4.370 -8.084 1.00 0.00 C ATOM 953 C SER A 73 1.271 3.495 -6.986 1.00 0.00 C ATOM 954 O SER A 73 1.678 2.363 -7.243 1.00 0.00 O ATOM 955 CB SER A 73 1.341 5.742 -8.104 1.00 0.00 C ATOM 956 OG SER A 73 2.110 5.941 -9.287 1.00 0.00 O ATOM 0 H SER A 73 -1.104 5.456 -7.796 1.00 0.00 H new ATOM 0 HA SER A 73 0.833 3.897 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.583 6.521 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.987 5.840 -7.231 1.00 0.00 H new ATOM 0 HG SER A 73 2.524 6.829 -9.262 1.00 0.00 H new ATOM 962 N VAL A 74 1.313 4.053 -5.785 1.00 0.00 N ATOM 963 CA VAL A 74 1.864 3.337 -4.647 1.00 0.00 C ATOM 964 C VAL A 74 1.160 1.985 -4.511 1.00 0.00 C ATOM 965 O VAL A 74 1.753 1.018 -4.034 1.00 0.00 O ATOM 966 CB VAL A 74 1.756 4.197 -3.386 1.00 0.00 C ATOM 967 CG1 VAL A 74 2.153 3.399 -2.142 1.00 0.00 C ATOM 968 CG2 VAL A 74 2.598 5.468 -3.515 1.00 0.00 C ATOM 0 H VAL A 74 0.975 4.992 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 74 2.925 3.137 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 74 0.714 4.496 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.067 4.034 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.492 2.539 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.183 3.056 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.503 6.061 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.643 5.198 -3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.248 6.051 -4.367 1.00 0.00 H new ATOM 978 N GLY A 75 -0.094 1.961 -4.938 1.00 0.00 N ATOM 979 CA GLY A 75 -0.884 0.744 -4.869 1.00 0.00 C ATOM 980 C GLY A 75 -0.207 -0.393 -5.637 1.00 0.00 C ATOM 981 O GLY A 75 0.286 -1.346 -5.034 1.00 0.00 O ATOM 0 H GLY A 75 -0.582 2.765 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.021 0.453 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.876 0.926 -5.282 1.00 0.00 H new ATOM 985 N ALA A 76 -0.205 -0.256 -6.955 1.00 0.00 N ATOM 986 CA ALA A 76 0.403 -1.261 -7.810 1.00 0.00 C ATOM 987 C ALA A 76 1.918 -1.261 -7.592 1.00 0.00 C ATOM 988 O ALA A 76 2.485 -2.260 -7.155 1.00 0.00 O ATOM 989 CB ALA A 76 0.024 -0.988 -9.267 1.00 0.00 C ATOM 0 H ALA A 76 -0.615 0.535 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 76 0.033 -2.255 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.480 -1.742 -9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.060 -1.027 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.382 -0.000 -9.557 1.00 0.00 H new ATOM 995 N ALA A 77 2.528 -0.128 -7.907 1.00 0.00 N ATOM 996 CA ALA A 77 3.966 0.016 -7.751 1.00 0.00 C ATOM 997 C ALA A 77 4.397 -0.623 -6.429 1.00 0.00 C ATOM 998 O ALA A 77 5.287 -1.473 -6.408 1.00 0.00 O ATOM 999 CB ALA A 77 4.343 1.496 -7.833 1.00 0.00 C ATOM 0 H ALA A 77 2.053 0.699 -8.269 1.00 0.00 H new ATOM 0 HA ALA A 77 4.493 -0.499 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.421 1.604 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.041 1.895 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.835 2.045 -7.040 1.00 0.00 H new ATOM 1005 N GLY A 78 3.747 -0.190 -5.359 1.00 0.00 N ATOM 1006 CA GLY A 78 4.053 -0.709 -4.037 1.00 0.00 C ATOM 1007 C GLY A 78 3.963 -2.236 -4.013 1.00 0.00 C ATOM 1008 O GLY A 78 4.982 -2.920 -3.921 1.00 0.00 O ATOM 0 H GLY A 78 3.010 0.514 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.054 -0.396 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.360 -0.289 -3.308 1.00 0.00 H new ATOM 1012 N LEU A 79 2.735 -2.727 -4.099 1.00 0.00 N ATOM 1013 CA LEU A 79 2.500 -4.160 -4.088 1.00 0.00 C ATOM 1014 C LEU A 79 3.562 -4.854 -4.944 1.00 0.00 C ATOM 1015 O LEU A 79 3.967 -5.977 -4.648 1.00 0.00 O ATOM 1016 CB LEU A 79 1.065 -4.471 -4.519 1.00 0.00 C ATOM 1017 CG LEU A 79 0.557 -5.878 -4.197 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.684 -5.823 -3.305 1.00 0.00 C ATOM 1019 CD2 LEU A 79 0.308 -6.677 -5.478 1.00 0.00 C ATOM 0 H LEU A 79 1.893 -2.157 -4.177 1.00 0.00 H new ATOM 0 HA LEU A 79 2.598 -4.554 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.400 -3.749 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.989 -4.316 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 79 1.332 -6.401 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.024 -6.836 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.438 -5.318 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.475 -5.275 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.052 -7.673 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.439 -6.166 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.238 -6.761 -6.041 1.00 0.00 H new ATOM 1031 N SER A 80 3.982 -4.156 -5.989 1.00 0.00 N ATOM 1032 CA SER A 80 4.989 -4.690 -6.890 1.00 0.00 C ATOM 1033 C SER A 80 6.315 -4.867 -6.147 1.00 0.00 C ATOM 1034 O SER A 80 6.648 -5.972 -5.719 1.00 0.00 O ATOM 1035 CB SER A 80 5.180 -3.780 -8.105 1.00 0.00 C ATOM 1036 OG SER A 80 4.776 -4.415 -9.315 1.00 0.00 O ATOM 0 H SER A 80 3.643 -3.225 -6.232 1.00 0.00 H new ATOM 0 HA SER A 80 4.647 -5.661 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.605 -2.864 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.228 -3.490 -8.180 1.00 0.00 H new ATOM 0 HG SER A 80 4.912 -3.802 -10.067 1.00 0.00 H new ATOM 1042 N VAL A 81 7.036 -3.763 -6.016 1.00 0.00 N ATOM 1043 CA VAL A 81 8.317 -3.783 -5.332 1.00 0.00 C ATOM 1044 C VAL A 81 8.204 -4.640 -4.069 1.00 0.00 C ATOM 1045 O VAL A 81 9.188 -5.225 -3.621 1.00 0.00 O ATOM 1046 CB VAL A 81 8.779 -2.353 -5.044 1.00 0.00 C ATOM 1047 CG1 VAL A 81 7.781 -1.626 -4.141 1.00 0.00 C ATOM 1048 CG2 VAL A 81 10.181 -2.342 -4.433 1.00 0.00 C ATOM 0 H VAL A 81 6.757 -2.849 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 81 9.080 -4.236 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 81 8.824 -1.818 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.133 -0.612 -3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.808 -1.587 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.689 -2.161 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.485 -1.314 -4.238 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.175 -2.902 -3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.884 -2.803 -5.127 1.00 0.00 H new ATOM 1058 N THR A 82 6.994 -4.686 -3.531 1.00 0.00 N ATOM 1059 CA THR A 82 6.739 -5.461 -2.329 1.00 0.00 C ATOM 1060 C THR A 82 6.982 -6.949 -2.592 1.00 0.00 C ATOM 1061 O THR A 82 8.050 -7.472 -2.276 1.00 0.00 O ATOM 1062 CB THR A 82 5.316 -5.152 -1.860 1.00 0.00 C ATOM 1063 OG1 THR A 82 5.401 -3.828 -1.340 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.899 -5.999 -0.656 1.00 0.00 C ATOM 0 H THR A 82 6.180 -4.199 -3.906 1.00 0.00 H new ATOM 0 HA THR A 82 7.427 -5.188 -1.529 1.00 0.00 H new ATOM 0 HB THR A 82 4.619 -5.321 -2.681 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.301 -3.183 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.881 -5.740 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.943 -7.055 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.576 -5.806 0.176 1.00 0.00 H new ATOM 1072 N SER A 83 5.975 -7.588 -3.168 1.00 0.00 N ATOM 1073 CA SER A 83 6.066 -9.005 -3.477 1.00 0.00 C ATOM 1074 C SER A 83 7.417 -9.313 -4.125 1.00 0.00 C ATOM 1075 O SER A 83 8.056 -10.310 -3.792 1.00 0.00 O ATOM 1076 CB SER A 83 4.924 -9.443 -4.396 1.00 0.00 C ATOM 1077 OG SER A 83 4.769 -10.859 -4.417 1.00 0.00 O ATOM 0 H SER A 83 5.091 -7.151 -3.429 1.00 0.00 H new ATOM 0 HA SER A 83 5.981 -9.564 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.994 -8.981 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.115 -9.084 -5.407 1.00 0.00 H new ATOM 0 HG SER A 83 4.029 -11.098 -5.014 1.00 0.00 H new ATOM 1083 N LYS A 84 7.812 -8.439 -5.039 1.00 0.00 N ATOM 1084 CA LYS A 84 9.076 -8.605 -5.737 1.00 0.00 C ATOM 1085 C LYS A 84 10.187 -8.861 -4.717 1.00 0.00 C ATOM 1086 O LYS A 84 10.925 -9.839 -4.830 1.00 0.00 O ATOM 1087 CB LYS A 84 9.344 -7.408 -6.651 1.00 0.00 C ATOM 1088 CG LYS A 84 9.598 -7.864 -8.090 1.00 0.00 C ATOM 1089 CD LYS A 84 10.345 -6.789 -8.882 1.00 0.00 C ATOM 1090 CE LYS A 84 11.332 -7.419 -9.866 1.00 0.00 C ATOM 1091 NZ LYS A 84 12.366 -6.438 -10.264 1.00 0.00 N ATOM 0 H LYS A 84 7.279 -7.613 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 84 9.038 -9.475 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.492 -6.729 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.206 -6.852 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.178 -8.787 -8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.649 -8.086 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.631 -6.170 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.880 -6.132 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.804 -8.289 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.799 -7.772 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.027 -6.883 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.912 -5.620 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.886 -6.121 -9.421 1.00 0.00 H new ATOM 1105 N VAL A 85 10.271 -7.966 -3.744 1.00 0.00 N ATOM 1106 CA VAL A 85 11.280 -8.082 -2.704 1.00 0.00 C ATOM 1107 C VAL A 85 11.021 -9.350 -1.888 1.00 0.00 C ATOM 1108 O VAL A 85 11.949 -9.937 -1.334 1.00 0.00 O ATOM 1109 CB VAL A 85 11.298 -6.814 -1.849 1.00 0.00 C ATOM 1110 CG1 VAL A 85 10.448 -6.990 -0.589 1.00 0.00 C ATOM 1111 CG2 VAL A 85 12.731 -6.414 -1.492 1.00 0.00 C ATOM 0 H VAL A 85 9.657 -7.157 -3.653 1.00 0.00 H new ATOM 0 HA VAL A 85 12.273 -8.175 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 85 10.861 -6.007 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.478 -6.074 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.418 -7.206 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.842 -7.816 0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.716 -5.510 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 85 13.205 -7.220 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.295 -6.227 -2.406 1.00 0.00 H new ATOM 1121 N ILE A 86 9.754 -9.737 -1.841 1.00 0.00 N ATOM 1122 CA ILE A 86 9.361 -10.924 -1.102 1.00 0.00 C ATOM 1123 C ILE A 86 9.848 -12.168 -1.848 1.00 0.00 C ATOM 1124 O ILE A 86 10.620 -12.958 -1.307 1.00 0.00 O ATOM 1125 CB ILE A 86 7.854 -10.917 -0.837 1.00 0.00 C ATOM 1126 CG1 ILE A 86 7.442 -9.672 -0.048 1.00 0.00 C ATOM 1127 CG2 ILE A 86 7.413 -12.207 -0.144 1.00 0.00 C ATOM 1128 CD1 ILE A 86 5.920 -9.530 -0.003 1.00 0.00 C ATOM 0 H ILE A 86 8.987 -9.249 -2.303 1.00 0.00 H new ATOM 0 HA ILE A 86 9.834 -10.935 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 86 7.339 -10.875 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.835 -9.734 0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.880 -8.785 -0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.338 -12.176 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.652 -13.061 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.934 -12.305 0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.654 -8.637 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.532 -9.444 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.487 -10.407 0.478 1.00 0.00 H new ATOM 1140 N GLY A 87 9.377 -12.303 -3.079 1.00 0.00 N ATOM 1141 CA GLY A 87 9.755 -13.438 -3.904 1.00 0.00 C ATOM 1142 C GLY A 87 8.552 -14.344 -4.175 1.00 0.00 C ATOM 1143 O GLY A 87 8.451 -15.432 -3.611 1.00 0.00 O ATOM 0 H GLY A 87 8.737 -11.646 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.168 -13.084 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.540 -14.008 -3.407 1.00 0.00 H new ATOM 1147 N GLY A 88 7.670 -13.861 -5.038 1.00 0.00 N ATOM 1148 CA GLY A 88 6.478 -14.614 -5.390 1.00 0.00 C ATOM 1149 C GLY A 88 5.914 -15.348 -4.172 1.00 0.00 C ATOM 1150 O GLY A 88 6.108 -16.554 -4.025 1.00 0.00 O ATOM 0 H GLY A 88 7.757 -12.958 -5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.723 -13.939 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.716 -15.333 -6.174 1.00 0.00 H new ATOM 1154 N PHE A 89 5.227 -14.590 -3.330 1.00 0.00 N ATOM 1155 CA PHE A 89 4.633 -15.154 -2.130 1.00 0.00 C ATOM 1156 C PHE A 89 4.078 -16.554 -2.398 1.00 0.00 C ATOM 1157 O PHE A 89 2.962 -16.699 -2.894 1.00 0.00 O ATOM 1158 CB PHE A 89 3.482 -14.231 -1.724 1.00 0.00 C ATOM 1159 CG PHE A 89 3.579 -13.707 -0.290 1.00 0.00 C ATOM 1160 CD1 PHE A 89 3.528 -14.575 0.756 1.00 0.00 C ATOM 1161 CD2 PHE A 89 3.717 -12.374 -0.061 1.00 0.00 C ATOM 1162 CE1 PHE A 89 3.619 -14.089 2.087 1.00 0.00 C ATOM 1163 CE2 PHE A 89 3.808 -11.887 1.270 1.00 0.00 C ATOM 1164 CZ PHE A 89 3.757 -12.755 2.316 1.00 0.00 C ATOM 0 H PHE A 89 5.069 -13.590 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 89 5.386 -15.235 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.452 -13.383 -2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.541 -14.768 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.418 -15.634 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.757 -11.685 -0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.579 -14.778 2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.918 -10.828 1.452 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.826 -12.385 3.328 1.00 0.00 H new ATOM 1174 N ALA A 90 4.883 -17.550 -2.058 1.00 0.00 N ATOM 1175 CA ALA A 90 4.487 -18.934 -2.256 1.00 0.00 C ATOM 1176 C ALA A 90 5.242 -19.823 -1.266 1.00 0.00 C ATOM 1177 O ALA A 90 6.295 -20.368 -1.594 1.00 0.00 O ATOM 1178 CB ALA A 90 4.741 -19.335 -3.711 1.00 0.00 C ATOM 0 H ALA A 90 5.808 -17.426 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 90 3.421 -19.059 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.444 -20.373 -3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.159 -18.693 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.801 -19.225 -3.939 1.00 0.00 H new ATOM 1184 N GLY A 91 4.675 -19.942 -0.075 1.00 0.00 N ATOM 1185 CA GLY A 91 5.281 -20.756 0.965 1.00 0.00 C ATOM 1186 C GLY A 91 6.479 -20.040 1.592 1.00 0.00 C ATOM 1187 O GLY A 91 6.333 -19.337 2.591 1.00 0.00 O ATOM 0 H GLY A 91 3.802 -19.488 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.542 -20.979 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.601 -21.710 0.545 1.00 0.00 H new ATOM 1191 N THR A 92 7.637 -20.243 0.980 1.00 0.00 N ATOM 1192 CA THR A 92 8.859 -19.626 1.467 1.00 0.00 C ATOM 1193 C THR A 92 9.043 -18.243 0.840 1.00 0.00 C ATOM 1194 O THR A 92 9.263 -18.127 -0.364 1.00 0.00 O ATOM 1195 CB THR A 92 10.018 -20.583 1.180 1.00 0.00 C ATOM 1196 OG1 THR A 92 10.272 -20.412 -0.212 1.00 0.00 O ATOM 1197 CG2 THR A 92 9.610 -22.052 1.306 1.00 0.00 C ATOM 0 H THR A 92 7.754 -20.826 0.151 1.00 0.00 H new ATOM 0 HA THR A 92 8.817 -19.458 2.543 1.00 0.00 H new ATOM 0 HB THR A 92 10.839 -20.374 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.649 -19.750 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.469 -22.688 1.092 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.258 -22.246 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.812 -22.270 0.597 1.00 0.00 H new